CODE	CASRN	Name	DSSToxGSID	NVS_NR_hAR	NVS_NR_cAR	NVS_NR_rAR	OT_AR_ARSRC1_0480	OT_AR_ARSRC1_0960	OT_AR_ARELUC_AG_1440	ATG_AR_TRANS_up	TOX21_AR_BLA_Agonist_ratio	TOX21_AR_LUC_MDAKB2_Agonist	TOX21_AR_BLA_Antagonist_ratio	TOX21_AR_LUC_MDAKB2_Antagonist2
C100005	100-00-5	1-Chloro-4-nitrobenzene	DTXSID5020281	1.698970004			2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C100016	100-01-6	4-Nitroaniline	DTXSID8020961		1.698970004		2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C100027	100-02-7	4-Nitrophenol	DTXSID0021834				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C10016203	10016-20-3	alpha-Cyclodextrin	DTXSID7030698	1.301029996			1.698970004	1.698970004	1.698970004	2	1.602059991	1.698970004	1.602059991	1.602059991
C100210	100-21-0	Terephthalic acid	DTXSID6026080				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C10025748	10025-74-8	Dysprosium(III) chloride	DTXSID8041909		1.698970004		1.954242509	1.954242509	1.954242509	2.301029996	1.84509804	1.954242509	1.84509804	1.954242509
C100378	100-37-8	"N,N-Diethylethanolamine"	DTXSID5021837				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C10042598	10042-59-8	2-Propyl-1-heptanol	DTXSID9029302				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C10043353	10043-35-3	Boric acid	DTXSID1020194				2	2	2	2	1.602059991	1.954242509	1.602059991	1.954242509
C100516	100-51-6	Benzyl alcohol	DTXSID5020152				2	2	2	2.301029996	1.602059991	1.698970004	1.602059991	1.954242509
C100549	100-54-9	3-Pyridinecarbonitrile	DTXSID1026665				2	2	2	2.301029996	1.903089987	1.954242509	1.84509804	1.954242509
C100641	100-64-1	Cyclohexanone oxime	DTXSID4021842				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C1007289	1007-28-9	Deisopropylatrazine	DTXSID0037495	1.698970004		1.698970004	2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C10081671	10081-67-1	4-(2-Phenylpropan-2-yl)-N-[4-(2-phenylpropan-2-yl)phenyl]aniline	DTXSID0027721				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C1008726	1008-72-6	Sodium 2-formylbenzenesulfonate	DTXSID5041643				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C10094345	10094-34-5	"1,1-Dimethyl-2-phenylethyl butanoate"	DTXSID5038830				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C100970	100-97-0	Methenamine	DTXSID6020692				2	2	2	2.301029996	1.602059991	1.698970004	1.602059991	1.954242509
C101020	101-02-0	Triphenyl phosphite	DTXSID0026252				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C101053	101-05-3	Anilazine	DTXSID9020089				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C101100	101-10-0	Cloprop	DTXSID9034232				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C101202	101-20-2	Triclocarban	DTXSID4026214				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.698970004
C101213	101-21-3	Chlorpropham	DTXSID7020764	1.698970004			2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C101371	101-37-1	"2,4,6-Tris(allyloxy)-1,3,5-triazine"	DTXSID8037754				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C101428	101-42-8	Fenuron	DTXSID7037551				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C101463698	101463-69-8	Flufenoxuron	DTXSID1041978				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C101542	101-54-2	"N-Phenyl-1,4-benzenediamine"	DTXSID7025895				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C101553	101-55-3	p-Bromodiphenyl ether	DTXSID8023927				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C101611	101-61-1	"4,4'-Methylenebis(N,N-dimethylaniline)"	DTXSID5020869				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C10161338	10161-33-8	17beta-Trenbolone	DTXSID0034192	-1	-0.698970004	-1	0	0	2	2.301029996	1.903089987	1.954242509	1.903089987	1.903089987
C101779	101-77-9	"4,4'-Methylenedianiline"	DTXSID6022422				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C101804	101-80-4	"4,4'-Oxydianiline"	DTXSID0021094		1.698970004		2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C101815	101-81-5	Diphenylmethane	DTXSID1041891				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C101837	101-83-7	Dicyclohexylamine	DTXSID6025018				2	2	2	2.301029996	1.602059991	1.698970004	1.602059991	1.954242509
C101848	101-84-8	Diphenyl oxide	DTXSID9021847				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C101860	101-86-0	2-Benzylideneoctanal	DTXSID4026684				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C102067	102-06-7	"1,3-Diphenylguanidine"	DTXSID3025178				2	2	2	2.301029996	1.602059991	1.954242509	1.602059991	1.954242509
C10222012	10222-01-2	"2,2-Dibromo-3-nitrilopropionamide"	DTXSID5032361				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C102272	102-27-2	N-Ethyl-3-methylaniline	DTXSID4021848		1.698970004		2	2	2	2.301029996	1.84509804	1.954242509	1.84509804	1.954242509
C1024573	1024-57-3	Heptachlor epoxide	DTXSID1024126				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C102603	102-60-3	"N,N,N',N'-Tetrakis(2-Hydroxypropyl)ethylenediamine"	DTXSID9026689				2	2	2	2.301029996	1.602059991	1.698970004	1.903089987	1.954242509
C10265926	10265-92-6	Methamidophos	DTXSID6024177	1.698970004		1.698970004	2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C102676313	102676-31-3	Fadrozole hydrochloride	DTXSID4020618				1.602059991	1.602059991	1.602059991	1.903089987	1.477121255	1.602059991	1.477121255	1.602059991
C102716	102-71-6	Triethanolamine	DTXSID9021392				2	2	2	2.301029996	1.602059991	1.954242509	1.602059991	1.954242509
C102761	102-76-1	Triacetin	DTXSID3026691	1.698970004			2	2	2	2.301029996	1.602059991	1.698970004	1.602059991	1.954242509
C102829	102-82-9	Tributylamine	DTXSID4026183		1.698970004		2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C103055078	103055-07-8	Lufenuron	DTXSID5034357				2	2	2	2.301029996	1.602059991	1.698970004	1.903089987	1.954242509
C103093	103-09-3	2-Ethylhexyl acetate	DTXSID8026694				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C1031078	1031-07-8	Endosulfan sulfate	DTXSID3037541	1.698970004	1	1.698970004	2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C103117	103-11-7	2-Ethylhexyl acrylate	DTXSID9025297				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C103231	103-23-1	Di(2-ethylhexyl) adipate	DTXSID0020606				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C103242	103-24-2	Bis(2-ethylhexyl) nonanedioate	DTXSID3026697				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C103333	103-33-3	Azobenzene	DTXSID8020123				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C103344	103-34-4	"4,4'-Dithiodimorpholine"	DTXSID8026698				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C103361097	103361-09-7	Flumioxazin	DTXSID7032555				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C1034011	1034-01-1	Octyl gallate	DTXSID4040713			1.698970004	2	2	2	1.84509804	1.903089987	1.954242509	1.903089987	1.954242509
C103413	103-41-3	Benzyl cinnamate	DTXSID3041663				2	2	2	2.301029996	1.602059991	1.698970004	1.602059991	1.954242509
C103651	103-65-1	Propylbenzene	DTXSID3042219				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C103695	103-69-5	N-Ethylaniline	DTXSID1025271				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C103764	103-76-4	1-Piperazineethanol	DTXSID3021853				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C103902	103-90-2	Acetaminophen	DTXSID2020006				2	2	2	2.301029996	1.602059991	1.698970004	1.903089987	1.954242509
C104098488	104098-48-8	Imazapic	DTXSID5034270				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C104132	104-13-2	4-Butylaniline	DTXSID8021856				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C104206828	104206-82-8	Mesotrione	DTXSID7032424		1.698970004		2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C104405	104-40-5	4-Nonylphenol	DTXSID5033836			1.698970004	2	2	2	1.84509804	1.903089987	1.954242509	1.903089987	1.954242509
C104438	104-43-8	4-Dodecylphenol	DTXSID1022508				2	2	2	1.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C104450	104-45-0	4-Propylanisole	DTXSID0042325				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C104518	104-51-8	Butylbenzene	DTXSID6022472				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C10453868	10453-86-8	Resmethrin	DTXSID7022253	1.698970004		1.698970004	2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C104541	104-54-1	3-Phenyl-2-propen-1-ol	DTXSID9041491				2	2	2	2.301029996	1.602059991	1.698970004	1.602059991	2
C104610	104-61-0	gamma-Nonanolactone	DTXSID0034229				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C104665	104-66-5	"1,2-Diphenoxyethane"	DTXSID5026706				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C104676	104-67-6	5-Heptyldihydro-2(3H)-furanone	DTXSID4034287				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C104767	104-76-7	2-Ethyl-1-hexanol	DTXSID5020605				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C104795688	104795-68-8	CI-959	DTXSID8047268	1.698970004	1.698970004		2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C105215	105-21-5	"1,4-Heptanolide"	DTXSID5047611				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C105373	105-37-3	Ethyl propionate	DTXSID1040110				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C10540291	10540-29-1	Tamoxifen	DTXSID1034187	1.698970004	1.698970004	1.698970004	2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C105512069	105512-06-9	Clodinafop-propargyl	DTXSID6032354				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C105533	105-53-3	Diethyl propanedioate	DTXSID7021863				2	2	2	2.301029996	1.84509804	1.954242509	1.84509804	1.954242509
C105544	105-54-4	Ethyl butyrate	DTXSID6040111				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C105555	105-55-5	"N,N'-Diethylthiourea"	DTXSID8020466				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C105602	105-60-2	Caprolactam	DTXSID4020240		1.698970004		2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C105624860	105624-86-0	5HPP-33	DTXSID1046970				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C105679	105-67-9	"2,4-Dimethylphenol"	DTXSID2021864				2	2	2	2.301029996	1.903089987	2	1.903089987	2
C105873	105-87-3	Geranyl acetate	DTXSID0020654				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C105997	105-99-7	Dibutyl hexanedioate	DTXSID2021866				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C10605217	10605-21-7	Carbendazim	DTXSID4024729				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C1061517621	1061517-62-1	PharmaGSID_47337	DTXSID4047337		1.698970004	1.698970004	2	2	2	1.84509804	1.84509804	1.954242509	1.84509804	1.954242509
C1062243519	1062243-51-9	PharmaGSID_48511	DTXSID4048511				1.954242509	1.954242509	1.954242509	1.301029996	1.84509804	1.954242509	1.84509804	1.954242509
C106229	106-22-9	Citronellol	DTXSID3026726				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C106230	106-23-0	Citronellal	DTXSID3041790				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C106241	106-24-1	Geraniol	DTXSID8026727		1.698970004		2	2	2	2.301029996	1.602059991	1.698970004	1.602059991	1.954242509
C106252	106-25-2	"(2Z)-3,7-Dimethylocta-2,6-dien-1-ol"	DTXSID3026728		1.698970004		2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C106274	106-27-4	Isopentyl butyrate	DTXSID3042059				2	2	2	1.84509804	1.903089987	1.954242509	1.903089987	1.954242509
C106309	106-30-9	Ethyl heptanoate	DTXSID1040112				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C106434	106-43-4	4-Chlorotoluene	DTXSID8024814				2	2	2	2.301029996	1.903089987	2	1.903089987	1.954242509
C106445	106-44-5	p-Cresol	DTXSID7021869				2	2	2	2.301029996	1.602059991	1.698970004	1.903089987	1.954242509
C106456	106-45-6	4-Thiocresol	DTXSID5048188				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C106467	106-46-7	"1,4-Dichlorobenzene"	DTXSID1020431				2	2	2	2.301029996	1.602059991	1.698970004	1.903089987	1.954242509
C106478	106-47-8	4-Chloroaniline	DTXSID9020295				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C106489	106-48-9	4-Chlorophenol	DTXSID1021871				2	2	2	2.301029996	1.602059991	1.698970004	1.903089987	1.954242509
C106490	106-49-0	4-Methylaniline	DTXSID6021872				2	2	2	2.301029996	1.84509804	1.954242509	1.84509804	1.954242509
C106503	106-50-3	"1,4-Benzenediamine"	DTXSID9021138		1.698970004		2	2	2	2.301029996	1.602059991	1.698970004	1.903089987	1.954242509
C106650	106-65-0	Dimethyl succinate	DTXSID5025152				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C106683	106-68-3	3-Octanone	DTXSID3041954				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C1067250	1067-25-0	Trimethoxypropylsilane	DTXSID6042494				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C1067534	1067-53-4	Tris(2-methoxyethoxy)vinylsilane	DTXSID5027356		1.698970004		2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C106876	106-87-6	4-Vinyl-1-cyclohexene dioxide	DTXSID0020604				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C1068967963	1068967-96-3	SAR102608	DTXSID8047391				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C106934	106-93-4	"1,2-Dibromoethane"	DTXSID3020415				2	2	2	2.301029996	1.84509804	1.954242509	1.84509804	1.954242509
C107071669	107071-66-9	Ro 23-7637	DTXSID9048512				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C107073	107-07-3	2-Chloroethanol	DTXSID1021877				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C107131	107-13-1	Acrylonitrile	DTXSID5020029				2	2	2	2.301029996	1.954242509	2	1.954242509	1.954242509
C107186	107-18-6	Allyl alcohol	DTXSID8020044				2	2	2	2.301029996	1.903089987	2	1.903089987	1.954242509
C107200	107-20-0	Chloroacetaldehyde	DTXSID4020292				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C107211	107-21-1	Ethylene glycol	DTXSID8020597				2	2	2	2.301029996	1.903089987	2	1.903089987	1.954242509
C1072157	1072-15-7	"Sulfuric acid, monononyl ester, sodium salt"	DTXSID7047487				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C107302	107-30-2	Chloromethyl methyl ether	DTXSID6020307				1.602059991	1.602059991	1.602059991	1.84509804	1.84509804	1.954242509	1.84509804	1.477121255
C107415	107-41-5	"2-Methyl-2,4-pentanediol"	DTXSID5021885				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	2
C107460	107-46-0	Hexamethyldisiloxane	DTXSID4026769				2	2	2	2.301029996	1.903089987	1.698970004	1.602059991	1.954242509
C107517	107-51-7	Octamethyltrisiloxane	DTXSID9040710				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C107534963	107534-96-3	Tebuconazole	DTXSID9032113	1.698970004	1.698970004		2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C107540	107-54-0	"3,5-Dimethyl-1-hexyn-3-ol"	DTXSID6041472				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C1076977	1076-97-7	"1,4-Cyclohexanedicarboxylic acid"	DTXSID2038788				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C107755	107-75-5	"7-Hydroxy-3,7-dimethyloctanal"	DTXSID6042232				2	2	2	2.301029996	1.602059991	1.698970004	1.903089987	1.954242509
C107879	107-87-9	2-Pentanone	DTXSID0021888				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C107880	107-88-0	"1,3-Butanediol"	DTXSID8026773				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C107926	107-92-6	Butanoic acid	DTXSID8021515				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C107982	107-98-2	1-Methoxy-2-propanol	DTXSID8024284			1.698970004	2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C108010	108-01-0	Dimethylaminoethanol	DTXSID2020505				2	2	2	2.301029996	1.602059991	1.954242509	1.602059991	1.954242509
C108112	108-11-2	4-Methyl-2-pentanol	DTXSID2026781				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C108214	108-21-4	Isopropyl acetate	DTXSID2025478				2	2	2	2.301029996	1.84509804	1.954242509	1.84509804	1.954242509
C108327	108-32-7	Propylene carbonate	DTXSID2026789				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C108383	108-38-3	m-Xylene	DTXSID6026298				2	2	2	2.301029996	1.84509804	1.954242509	1.84509804	1.954242509
C108394	108-39-4	m-Cresol	DTXSID6024200				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C108419336	108419-33-6	"Acetic acid, C8-10-branched alkyl esters, C9-rich"	DTXSID0029848				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C108441	108-44-1	3-Methylaniline	DTXSID1026792				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C108452	108-45-2	"1,3-Benzenediamine"	DTXSID4021137				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C108463	108-46-3	Resorcinol	DTXSID2021238				2	2	2	2.301029996	1.602059991	1.698970004	1.602059991	1.954242509
C1085127	1085-12-7	Heptylparaben	DTXSID4022523				2	2	2	1.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C108598	108-59-8	Dimethyl malonate	DTXSID4029145				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C108678	108-67-8	"1,3,5-Trimethylbenzene"	DTXSID6026797				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	2
C108689	108-68-9	"3,5-Dimethylphenol"	DTXSID1025148				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C108770	108-77-0	"2,4,6-Trichloro-s-triazine"	DTXSID6026799				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C108805	108-80-5	Cyanuric acid	DTXSID7024873				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C108838	108-83-8	Diisobutyl ketone	DTXSID4025080				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C108918	108-91-8	Cyclohexylamine	DTXSID1023996				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C108930	108-93-0	Cyclohexanol	DTXSID4021894				2	2	2	2.301029996	1.903089987	2	1.903089987	1.954242509
C108941	108-94-1	Cyclohexanone	DTXSID6020359				2	2	2	2.301029996	1.903089987	2	1.903089987	1.954242509
C108952	108-95-2	Phenol	DTXSID5021124				2	2	2	2.301029996	1.84509804	1.698970004	1.602059991	1.954242509
C108985	108-98-5	Benzenethiol	DTXSID7026811				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C108996	108-99-6	3-Methylpyridine	DTXSID9021897				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C109024	109-02-4	4-Methylmorpholine	DTXSID9029146		1.698970004		2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C109433	109-43-3	Dibutyl decanedioate	DTXSID1041847				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C109466	109-46-6	"N,N'-Dibutylthiourea"	DTXSID8042187				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C109524	109-52-4	Pentanoic acid	DTXSID7021655				2	2	2	2.301029996	1.602059991	1.698970004	1.602059991	1.954242509
C109557	109-55-7	3-(Dimethylamino)propylamine	DTXSID5025102				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C1095905	1095-90-5	Methadone hydrochloride	DTXSID2020501				1.84509804	1.84509804	1.84509804	2	1.84509804	1.903089987	1.84509804	1.84509804
C109773	109-77-3	Propanedinitrile	DTXSID6021907				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C109864	109-86-4	2-Methoxyethanol	DTXSID5024182				2	2	2	1.903089987	1.903089987	1.954242509	1.903089987	1.954242509
C110054	110-05-4	Di-tert-butyl peroxide	DTXSID2024955				1.698970004	1.698970004	1.698970004	2	1.903089987	1.698970004	1.903089987	1.698970004
C110123	110-12-3	5-Methyl-2-hexanone	DTXSID5021914		1.698970004		2	2	2	2.301029996	1.84509804	1.954242509	1.84509804	1.954242509
C110156	110-15-6	Butanedioic acid	DTXSID6023602				2	2	2	2.301029996	1.602059991	1.954242509	1.602059991	1.954242509
C110167	110-16-7	Maleic acid	DTXSID8021517				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C110178	110-17-8	Fumaric acid	DTXSID3021518				2	2	2	2.301029996	1.903089987	2	1.903089987	1.954242509
C110235477	110235-47-7	Mepanipyrim	DTXSID4042121				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C110258	110-25-8	Oleyl sarcosine	DTXSID5042243			1.698970004	2	2	2	1.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C110269	110-26-9	"N,N'-Methylenebisacrylamide"	DTXSID8025595				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C110270	110-27-0	Isopropyl tetradecanoic acid	DTXSID0026838				2	2	2	2.301029996	1.602059991	1.698970004	1.602059991	1.954242509
C110338	110-33-8	Dihexyl hexanedioate	DTXSID9026841		1.698970004		2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C110429	110-42-9	Methyl decanoate	DTXSID4026842				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C110430	110-43-0	2-Heptanone	DTXSID5021916				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C110441	110-44-1	Sorbic acid	DTXSID3021277				2	2	2	2.301029996	1.602059991	1.954242509	1.903089987	1.954242509
C110488705	110488-70-5	Dimethomorph	DTXSID7034545	1.698970004	1.698970004	1.698970004	2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C110623	110-62-3	Pentanal	DTXSID7021653				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C110634	110-63-4	"1,4-Butanediol"	DTXSID2024666				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C110656	110-65-6	"2-Butyne-1,4-diol"	DTXSID4021921				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C110690	110-69-0	Butanal oxime	DTXSID2024664				2	2	2	2.301029996	1.84509804	1.954242509	1.84509804	1.954242509
C110736	110-73-6	2-(Ethylamino)ethanol	DTXSID9021922				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C110805	110-80-5	2-Ethoxyethanol	DTXSID7024087	1.698970004			2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C110850	110-85-0	Piperazine	DTXSID1021164				2	2	2	2.301029996	1.602059991	1.954242509	1.602059991	1.954242509
C110872	110-87-2	"3,4-Dihydro-2H-pyran"	DTXSID6041426				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C110918	110-91-8	Morpholine	DTXSID2025688				2	2	2	2.301029996	1.903089987	2	1.903089987	1.954242509
C110974	110-97-4	Diisopropanolamine	DTXSID8020179				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C11099073	11099-07-3	Glyceryl stearates	DTXSID9029304				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C111115	111-11-5	Methyl octanoate	DTXSID2026864				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C111148	111-14-8	Heptanoic acid	DTXSID2021600				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C111159	111-15-9	2-Ethoxyethyl acetate	DTXSID9021928				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C1111780	1111-78-0	Ammonium carbamate	DTXSID9027360				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C111206	111-20-6	Decanedioic acid	DTXSID7026867				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C111217	111-21-7	Triethylene glycol diacetate	DTXSID3026223				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C1112396	1112-39-6	Dimethoxydimethylsilane	DTXSID0042379				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C111273	111-27-3	1-Hexanol	DTXSID8021931				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C111308	111-30-8	Glutaraldehyde	DTXSID6025355	1.698970004			2	2	2	2.301029996	1.602059991	1.698970004	1.602059991	1.954242509
C111400	111-40-0	Diethylenetriamine	DTXSID2025050				2	2	2	2.301029996	1.602059991	1.698970004	1.602059991	1.954242509
C111422	111-42-2	Diethanolamine	DTXSID3021932				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C111444	111-44-4	Bis(2-chloroethyl) ether	DTXSID9020168				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C111466	111-46-6	Diethylene glycol	DTXSID8020462				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C1114712	1114-71-2	Pebulate	DTXSID8021199				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C111499	111-49-9	Hexamethyleneimine	DTXSID1026879				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C111557	111-55-7	"1,2-Ethanediol diacetate"	DTXSID0026880				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C111626	111-62-6	Ethyl oleate	DTXSID3047633				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C111693	111-69-3	Hexanedinitrile	DTXSID3021936	1.698970004			2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C111706	111-70-6	1-Heptanol	DTXSID8021937				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C111717	111-71-7	Heptanal	DTXSID0021597				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C111762	111-76-2	2-Butoxyethanol	DTXSID1024097				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C111773	111-77-3	Diethylene glycol monomethyl ether	DTXSID3025049				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C111812589	111812-58-9	"Fenpyroximate (Z,E)"	DTXSID2032550				2	2	2	1.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C111820	111-82-0	Methyl dodecanoate	DTXSID5026889				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C111842	111-84-2	Nonane	DTXSID9025796				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C1118463	1118-46-3	Butyltin trichloride	DTXSID0029210		1.698970004		2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C111875	111-87-5	1-Octanol	DTXSID7021940				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	2
C1118929	1118-92-9	"N,N-Dimethyloctanamide"	DTXSID9027364				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C111900	111-90-0	2-(2-Ethoxyethoxy)ethanol	DTXSID2021941				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C1119400	1119-40-0	Dimethyl glutarate	DTXSID3025122				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C111966	111-96-6	Bis(2-methoxyethyl) ether	DTXSID1024621				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C111988499	111988-49-9	Thiacloprid	DTXSID7034961				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C111991094	111991-09-4	Nicosulfuron	DTXSID6034764		1.698970004		2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C1120010	1120-01-0	Sodium hexyldecyl sulfate	DTXSID0042400			1.301029996	1.698970004	1.698970004	1.698970004	2	1.602059991	1.698970004	1.602059991	1.698970004
C1120043	1120-04-3	Octadecyl sulfate sodium salt	DTXSID6047103				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C112005	112-00-5	Dodecyltrimethylammonium chloride	DTXSID1026900				2	2	2	1.84509804	1.903089987	1.954242509	1.903089987	1.954242509
C1120214	1120-21-4	Undecane	DTXSID9021689	1.698970004			2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C1120361	1120-36-1	1-Tetradecene	DTXSID4027367				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C112050	112-05-0	Nonanoic acid	DTXSID3021641				2	2	2	2.301029996	1.84509804	1.954242509	1.903089987	1.954242509
C1120714	1120-71-4	"1,3-Propane sultone"	DTXSID8021195				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C112072	112-07-2	2-Butoxyethyl acetate	DTXSID1026904				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C112129	112-12-9	2-Undecanone	DTXSID2021943				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C112141	112-14-1	Octyl acetate	DTXSID8044202				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C112185	112-18-5	"N,N-Dimethyldodecan-1-amine"	DTXSID1026906	1.698970004	1	1.698970004	2	2	2	1.84509804	1.903089987	1.954242509	1.903089987	1.954242509
C112226616	112226-61-6	Halofenozide	DTXSID4032619				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C112254	112-25-4	2-(Hexyloxy)ethanol	DTXSID1026908				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C112276	112-27-6	Triethylene glycol	DTXSID4021393				2	2	2	2.301029996	1.602059991	1.954242509	1.602059991	1.954242509
C112281773	112281-77-3	Tetraconazole	DTXSID8034956	1.698970004	1.698970004		2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C112301	112-30-1	1-Decanol	DTXSID7021946				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C112312	112-31-2	Decanal	DTXSID4021553				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C112345	112-34-5	2-(2-Butoxyethoxy)ethanol	DTXSID8021519	1.698970004			2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C112356	112-35-6	2-[2-(2-Methoxyethoxy)ethoxy]ethanol	DTXSID5026912				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C112389	112-38-9	10-Undecenoic acid	DTXSID8035001				2	2	2	2.301029996	1.602059991	1.954242509	1.602059991	1.954242509
C112410238	112410-23-8	Tebufenozide	DTXSID4034948				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C112425	112-42-5	1-Undecanol	DTXSID0026915				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C112492	112-49-2	Triethylene glycol dimethyl ether	DTXSID8026224				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C112505	112-50-5	2-[2-(2-Ethoxyethoxy)ethoxy]ethanol	DTXSID3024368				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C112529154	112529-15-4	Pioglitazone hydrochloride	DTXSID3044203				2	2	2	2.301029996	1.602059991	1.698970004	1.602059991	1.954242509
C112538	112-53-8	1-Dodecanol	DTXSID5026918				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C112550	112-55-0	1-Dodecanethiol	DTXSID6025220				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C112607	112-60-7	Tetraethylene glycol	DTXSID9026922		1.698970004		2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C112630	112-63-0	Methyl linoleate	DTXSID7020843	1.698970004	1	1.698970004	2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C112709	112-70-9	1-Tridecanol	DTXSID2021947				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C112721	112-72-1	1-Tetradecanol	DTXSID9026926				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C112733069	112733-06-9	Zenarestat	DTXSID0047296				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C112801	112-80-1	Oleic acid	DTXSID1025809				2	2	2	2.301029996	1.602059991	1.698970004	1.602059991	1.954242509
C112809515	112809-51-5	Letrozole	DTXSID4023202		1.602059991		1.84509804	1.84509804	1.84509804	2	1.301029996	1.301029996	1.301029996	1.84509804
C113136779	113136-77-9	Cyclanilide	DTXSID5032600				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C1134232	1134-23-2	Cycloate	DTXSID6032356				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C113484	113-48-4	MGK-264	DTXSID6032562	1.698970004		1.698970004	2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C113734182	113734-18-2	CP-114271	DTXSID2047274				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C114078	114-07-8	Erythromycin	DTXSID4022991				1.84509804	1.84509804	1.84509804	2	1.602059991	1.698970004	1.602059991	1.84509804
C114261	114-26-1	Propoxur	DTXSID7021948				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C114311329	114311-32-9	Imazamox	DTXSID3034664				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C1143380	1143-38-0	Anthralin	DTXSID7024538				2	2	2	2.301029996	1.602059991	1.698970004	1.602059991	1.954242509
C114369436	114369-43-6	Fenbuconazole	DTXSID8032548			1.698970004	2	2	2	1.477121255	1.903089987	1.954242509	1.903089987	1.954242509
C115286	115-28-6	Chlorendic acid	DTXSID2020268				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C115297	115-29-7	Endosulfan	DTXSID1020560	1.698970004		1.698970004	2	2	2	0.602059991	1.903089987	1.954242509	1.903089987	1.954242509
C115322	115-32-2	Dicofol	DTXSID4020450	1.698970004		1.698970004	2	2	2	0.602059991	1.903089987	1.954242509	1.903089987	1.954242509
C115399	115-39-9	Bromophenol blue	DTXSID6041682		1.698970004	1.698970004	1.954242509	1.954242509	1.954242509	2.301029996	1.84509804	1.954242509	1.84509804	1.954242509
C1156190	1156-19-0	Tolazamide	DTXSID3021358				2	2	2	2.301029996	1.602059991	1.698970004	1.602059991	1.954242509
C115775	115-77-5	Pentaerythritol	DTXSID2026943				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C115866	115-86-6	Triphenyl phosphate	DTXSID1021952				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C115957	115-95-7	Linalyl acetate	DTXSID7026946				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C115968	115-96-8	Tris(2-chloroethyl) phosphate	DTXSID5021411				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C116029	116-02-9	"3,3,5-Trimethylcyclohexanol"	DTXSID9041815				2	2	2	2.301029996	1.602059991	1.698970004	1.903089987	1.954242509
C116063	116-06-3	Aldicarb	DTXSID0039223	1.698970004		1.698970004	2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C116255482	116255-48-2	Bromuconazole	DTXSID9032531		1.698970004		2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C116256	116-25-6	"1-(Hydroxymethyl)-5,5-dimethylhydantoin"	DTXSID6035152				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C1166525	1166-52-5	Dodecyl gallate	DTXSID0048189				2	2	2	1.84509804	1.903089987	2	1.903089987	1.954242509
C116714466	116714-46-6	Novaluron	DTXSID5034773				1.698970004	1.698970004	1.698970004	2	1.602059991	1.698970004	1.602059991	1.698970004
C117088	117-08-8	Tetrachlorophthalic anhydride	DTXSID7026102				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C117337196	117337-19-6	Fluthiacet-methyl	DTXSID2032556			1.698970004	2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C117395	117-39-5	Quercetin	DTXSID4021218	1.698970004			2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C117428225	117428-22-5	Picoxystrobin	DTXSID9047542				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C117718602	117718-60-2	Thiazopyr	DTXSID1032488				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C117793	117-79-3	2-Aminoanthraquinone	DTXSID6020068		1.698970004		2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C117806	117-80-6	Dichlone	DTXSID7020425				2	2	2	1.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C117817	117-81-7	Di(2-ethylhexyl) phthalate	DTXSID5020607	1.698970004		1.698970004	2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C117840	117-84-0	Dioctyl phthalate	DTXSID1021956				2	2	2	2.301029996	1.602059991	1.954242509	1.602059991	1.954242509
C117997	117-99-7	2-Hydroxybenzophenone	DTXSID5047879				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C118134308	118134-30-8	Spiroxamine	DTXSID1034212	1.698970004			2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C118478	118-47-8	Pyrazolone T	DTXSID5041273				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C118525	118-52-5	"1,3-Dichloro-5,5-dimethylhydantoin"	DTXSID4024985				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C118558	118-55-8	Phenyl salicylate	DTXSID6021957				2	2	2	2.301029996	1.903089987	1.954242509	1.602059991	1.954242509
C118569	118-56-9	"3,3,5-Trimethylcyclohexyl salicylate"	DTXSID1026241				2	2	2	2.301029996	1.602059991	1.954242509	1.602059991	1.698970004
C118581	118-58-1	Benzyl salicylate	DTXSID1024598				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C118718	118-71-8	Maltol	DTXSID0025523				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	2
C118796	118-79-6	"2,4,6-Tribromophenol"	DTXSID6021959				2	2	2	2.301029996	1.602059991	1.698970004	1.903089987	1.954242509
C118821	118-82-1	"4,4'-Methylenebis(2,6-di-t-butylphenol)"	DTXSID7022411				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C1189088	1189-08-8	"1,3-Butyleneglycol dimethacrylate"	DTXSID5044784				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C118934	118-93-4	2-Hydroxyacetophenone	DTXSID7040285				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C119073	119-07-3	Octyl decyl phthalate	DTXSID1047497				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C1191500	1191-50-0	Sodium myristyl sulfate	DTXSID4042416			1.698970004	2	2	2	1.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C119168773	119168-77-3	Tebufenpyrad	DTXSID0034223				2	2	2	1	1.903089987	1.954242509	1.903089987	1.954242509
C1191914212	1191914-21-2	PharmaGSID_48521	DTXSID8048521				1.954242509	1.954242509	1.954242509	2.301029996	1.84509804	1.903089987	1.84509804	1.903089987
C1192525	1192-52-5	"4,5-Dichloro-3H-1,2-dithiol-3-one"	DTXSID6032518				2	2	2	1.84509804	1.903089987	1.954242509	1.903089987	1.954242509
C119368	119-36-8	Methyl salicylate	DTXSID5025659				2	2	2	2.301029996	1.602059991	1.698970004	1.602059991	1.954242509
C119446683	119446-68-3	Difenoconazole	DTXSID4032372				2	2	2	0.77815125	1.903089987	1.954242509	1.903089987	1.954242509
C1194656	1194-65-6	Dichlobenil	DTXSID5032365	1.698970004		1.698970004	2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C119471	119-47-1	"2,2'-Methylenebis(4-methyl-6-tert-butylphenol)"	DTXSID4020870				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C119515387	119515-38-7	Icaridin	DTXSID0034227				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C119539	119-53-9	Benzoin	DTXSID1020144				2	2	2	2.301029996	1.602059991	1.698970004	1.602059991	1.954242509
C119619	119-61-9	Benzophenone	DTXSID0021961				2	2	2	2.301029996	1.602059991	1.954242509	1.602059991	1.954242509
C119642	119-64-2	Tetralin	DTXSID1026118				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C119904	119-90-4	"3,3'-Dimethoxybenzidine"	DTXSID3025091		1.698970004		2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C119937	119-93-7	"3,3'-Dimethylbenzidine"	DTXSID5024059		1.698970004		2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C120068373	120068-37-3	Fipronil	DTXSID4034609				2	2	2	1.77815125	1.602059991	1.698970004	1.903089987	1.954242509
C120116883	120116-88-3	Cyazofamid	DTXSID9034492				2	2	2	1.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C120127	120-12-7	Anthracene	DTXSID0023878				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C120149	120-14-9	Veratraldehyde	DTXSID7026285				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C120183	120-18-3	Naphthalene-2-sulfonic acid	DTXSID5044788				1.954242509	1.954242509	1.954242509	2.301029996	1.84509804	1.903089987	1.84509804	1.903089987
C120321	120-32-1	Clorophene	DTXSID5020154	1.698970004	1.698970004	1.698970004	2	2	2	1.301029996	1.602059991	1.954242509	1.903089987	1.954242509
C120365	120-36-5	Dichlorprop	DTXSID0020440				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C120467	120-46-7	"1,3-Diphenyl-1,3-propanedione"	DTXSID3041247				2	2	2	2.301029996	1.954242509	2	1.954242509	2
C120478	120-47-8	Ethylparaben	DTXSID9022528	-1	-0.698970004	1.698970004	2	0	2	2.301029996	1.602059991	1.698970004	1.602059991	1.698970004
C120511731	120511-73-1	Anastrozole	DTXSID9022607				1.477121255	1.477121255	1.477121255	1.84509804	1.602059991	1.698970004	1.602059991	1.477121255
C120514	120-51-4	Benzyl benzoate	DTXSID8029153				2	2	2	2.301029996	1.602059991	1.698970004	1.903089987	1.954242509
C120558	120-55-8	Diethylene glycol dibenzoate	DTXSID0026967				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C120569	120-56-9	Triethylene glycol dibenzoate	DTXSID7029611				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C120616	120-61-6	Dimethyl terephthalate	DTXSID0020498	1.698970004			2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C120650	120-65-0	2-((Dimethylamino)methyl)phenol	DTXSID3041293				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C120718	120-71-8	2-Methoxy-5-methylaniline	DTXSID1020350				2	2	2	2.301029996	1.84509804	1.954242509	1.84509804	1.954242509
C120729	120-72-9	Indole	DTXSID0020737				2	2	2	2.301029996	1.602059991	1.698970004	1.903089987	1.954242509
C120809	120-80-9	Catechol	DTXSID3020257				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C120821	120-82-1	"1,2,4-Trichlorobenzene"	DTXSID0021965				2	2	2	2.301029996	1.84509804	1.954242509	1.84509804	1.954242509
C120832	120-83-2	"2,4-Dichlorophenol"	DTXSID1020439				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C120923	120-92-3	Cyclopentanone	DTXSID3029154				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C120956	120-95-6	"2,4-Bis(2-methylbutan-2-yl)phenol"	DTXSID9026974	1.698970004			2	2	2	1.84509804	1.903089987	1.954242509	1.903089987	1.954242509
C121006	121-00-6	2-tert-Butyl-4-methoxyphenol	DTXSID7040788	1.698970004	1.698970004		2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C12108133	12108-13-3	(Methylcyclopentadienyl)tricarbonylmanganese	DTXSID9027738				1.77815125	1.77815125	1.77815125	2	1.903089987	1.954242509	1.903089987	1.77815125
C121142	121-14-2	"2,4-Dinitrotoluene"	DTXSID0020529				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C121324	121-32-4	3-Ethoxy-4-hydroxybenzaldehyde	DTXSID5021968				2	2	2	2.301029996	1.602059991	1.954242509	1.602059991	1.954242509
C121335	121-33-5	4-Hydroxy-3-methoxybenzaldehyde	DTXSID0021969				2	2	2	2.301029996	1.602059991	1.698970004	1.602059991	1.954242509
C121391	121-39-1	Ethyl 3-phenylglycidate	DTXSID8025886				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C1214397	1214-39-7	N-Benzyladenine	DTXSID7032630				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C121552612	121552-61-2	Cyprodinil	DTXSID1032359				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C121697	121-69-7	"N,N-Dimethylaniline"	DTXSID2020507				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	2
C121755	121-75-5	Malathion	DTXSID4020791	1.698970004		1.698970004	2	2	2	2.301029996	1.602059991	1.698970004	1.903089987	1.954242509
C121799	121-79-9	Propyl gallate	DTXSID5021201				2	2	2	2.301029996	1.602059991	1.698970004	1.903089987	1.954242509
C121915	121-91-5	"1,3-Benzenedicarboxylic acid"	DTXSID3021485				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C1219381	1219-38-1	Octylparaben	DTXSID0047957				2	2	2	1.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C122008859	122008-85-9	Cyhalofop-butyl	DTXSID1034503				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C122145	122-14-5	Fenitrothion	DTXSID4032613	1.698970004	1.698970004	1.698970004	2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C122203	122-20-3	Triisopropanolamine	DTXSID5021415				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C122349	122-34-9	Simazine	DTXSID4021268	1.698970004		1.698970004	2	2	2	2	1.602059991	1.954242509	1.602059991	1.954242509
C122394	122-39-4	Diphenylamine	DTXSID4021975				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C122407	122-40-7	Pentylcinnamaldehyde	DTXSID8029157				2	2	2	2.301029996	1.602059991	1.954242509	1.903089987	1.954242509
C122429	122-42-9	Propham	DTXSID7020766				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C122453730	122453-73-0	Chlorfenapyr	DTXSID9032533				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C122510	122-51-0	Ethyl orthoformate	DTXSID8041957				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C122576	122-57-6	Methyl styryl ketone	DTXSID4025662				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C122623	122-62-3	Bis(2-ethylhexyl) decanedioate	DTXSID7025055				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C122667	122-66-7	"1,2-Diphenylhydrazine"	DTXSID7020710				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C122781	122-78-1	Phenylacetaldehyde	DTXSID3021483		1.698970004		2	2	2	1.84509804	1.903089987	1.954242509	1.903089987	1.954242509
C122836355	122836-35-5	Sulfentrazone	DTXSID6032645				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C122883	122-88-3	4-Chlorophenoxyacetic acid	DTXSID9034282				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C122996	122-99-6	2-Phenoxyethanol	DTXSID9021976				2	2	2	2	1.602059991	1.698970004	1.602059991	1.954242509
C123002	123-00-2	4-Morpholinepropanamine	DTXSID4041521				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C123013	123-01-3	Dodecylbenzene	DTXSID7026994				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C123057	123-05-7	2-Ethylhexanal	DTXSID9025291				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	2
C123079	123-07-9	4-Ethylphenol	DTXSID4021977				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C123115	123-11-5	4-Methoxybenzaldehyde	DTXSID2026997				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C123122554	123122-55-4	Candoxatril	DTXSID6047286				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C123171	123-17-1	"2,6,8-Trimethyl-4-nonanol"	DTXSID8029159				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C123251	123-25-1	Diethyl butanedioate	DTXSID2038732	1.698970004		1.698970004	2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C123312890	123312-89-0	Pymetrozine	DTXSID2032637				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C123319	123-31-9	Hydroquinone	DTXSID7020716				2	2	2	1.903089987	1.903089987	1.954242509	1.903089987	1.954242509
C123331	123-33-1	Maleic hydrazide	DTXSID9020792				2	2	2	2	1.903089987	1.954242509	1.903089987	2
C123343168	123343-16-8	Pyrithiobac-sodium	DTXSID8032673				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C123353	123-35-3	Myrcene	DTXSID6025692				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C123422	123-42-2	Diacetone alcohol	DTXSID6024917				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C123513	123-51-3	Isopentyl alcohol	DTXSID3025469				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C123660	123-66-0	Ethyl hexanoate	DTXSID3021980				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C123773	123-77-3	Azodicarbonamide	DTXSID0024553				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C123922	123-92-2	3-Methylbutyl acetate	DTXSID9025453			1.698970004	2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C123966	123-96-6	2-Octanol	DTXSID0027014				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C123999	123-99-9	Nonanedioic acid	DTXSID8021640				2	2	2	2.301029996	1.602059991	1.698970004	1.602059991	1.954242509
C124049	124-04-9	Hexanedioic acid	DTXSID7021605				2	2	2	2.301029996	1.903089987	1.698970004	1.602059991	1.954242509
C124072	124-07-2	Octanoic acid	DTXSID3021645				2	2	2	2.301029996	1.602059991	1.698970004	1.602059991	1.954242509
C124094	124-09-4	"1,6-Hexanediamine"	DTXSID5024922				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C124130	124-13-0	Octanal	DTXSID3021643				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C124185	124-18-5	Decane	DTXSID6024913				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C1241947	1241-94-7	2-Ethylhexyl diphenyl phosphate	DTXSID1025300				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C124196	124-19-6	Nonanal	DTXSID9021639				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C124221	124-22-1	1-Dodecanamine	DTXSID3021984				1.954242509	1.954242509	1.954242509	1.301029996	1.84509804	1.954242509	1.903089987	1.903089987
C12427382	12427-38-2	Maneb	DTXSID9020794			1.698970004	2	2	2	0.84509804	1.903089987	1.954242509	1.903089987	1.954242509
C124378774	124378-77-4	Enadoline	DTXSID4047258			1.698970004	1.954242509	1.954242509	1.954242509	2.301029996	1.84509804	1.903089987	1.84509804	1.903089987
C124403	124-40-3	Dimethylamine	DTXSID5024057				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C124495187	124495-18-7	Quinoxyfen	DTXSID2034881				2	2	2	1	1.903089987	1.954242509	1.903089987	1.954242509
C124685	124-68-5	2-Amino-2-methylpropan-1-ol	DTXSID8027032				1.954242509	1.954242509	1.954242509	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C124765	124-76-5	Isoborneol	DTXSID2042060				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C124947	124-94-7	Triamcinolone	DTXSID1040742	1.698970004	1.698970004		2	2	2	2.301029996	1.903089987	1.954242509	1.602059991	1.954242509
C125116236	125116-23-6	Metconazole	DTXSID4034497		1.698970004		2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C125122	125-12-2	Isobornyl acetate	DTXSID7042061				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C125225287	125225-28-7	Ipconazole	DTXSID7034674		1.698970004		2	2	2	1.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C125401925	125401-92-5	Bispyribac-sodium	DTXSID7034383				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C125848	125-84-8	Aminoglutethimide	DTXSID8022589				2	2	2	2.301029996	1.602059991	1.698970004	1.903089987	1.954242509
C126001	126-00-1	Diphenolic acid	DTXSID0022436				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C1260179	1260-17-9	Carminic acid	DTXSID9022817				2	2	2	2.301029996	1.903089987	2	1.903089987	2
C126067	126-06-7	"3-Bromo-1-chloro-5,5-dimethylhydantoin"	DTXSID7029162				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C126114	126-11-4	"2-(Hydroxymethyl)-2-nitro-1,3-propanediol"	DTXSID8027034	1.698970004			2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C126147	126-14-7	Sucrose octaacetate	DTXSID3042423				1.903089987	1.903089987	1.903089987	2.301029996	1.602059991	1.698970004	1.77815125	1.84509804
C126307	126-30-7	"2,2-Dimethylpropane-1,3-diol"	DTXSID8027036				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C126727	126-72-7	"Tris(2,3-dibromopropyl) phosphate"	DTXSID5021413	1.602059991	1.602059991	1.602059991	1.954242509	1.954242509	1.954242509	2.301029996	1.903089987	1.954242509	1.903089987	1.903089987
C126738	126-73-8	Tributyl phosphate	DTXSID3021986				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C126833178	126833-17-8	Fenhexamid	DTXSID3032549	1.698970004		1.698970004	2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C126863	126-86-3	"2,4,7,9-Tetramethyl-5-decyne-4,7-diol"	DTXSID7027041				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C126921	126-92-1	Sodium ethasulfate	DTXSID1026033				2	2	2	2.301029996	1.602059991	1.698970004	1.602059991	1.954242509
C126987	126-98-7	Methacrylonitrile	DTXSID1024176				2	2	2	2.301029996	1.903089987	2	1.903089987	1.954242509
C127071	127-07-1	Hydroxyurea	DTXSID6025438				2	2	2	2.301029996	1.602059991	1.954242509	1.602059991	1.954242509
C127195	127-19-5	"N,N-Dimethylacetamide"	DTXSID5020499				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C127253	127-25-3	Methyl abietate	DTXSID9048190				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C127308821	127308-82-1	Zamifenacin	DTXSID9047257		1.698970004		2	2	2	1.84509804	1.903089987	1.954242509	1.903089987	1.954242509
C127399	127-39-9	"Sodium 1,4-diisobutyl sulfosuccinate"	DTXSID7029164				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C127413	127-41-3	alpha-Ionone	DTXSID0035160				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C127479	127-47-9	Retinol acetate	DTXSID6021240				2	2	2	2.301029996	1.903089987	1.698970004	1.903089987	1.698970004
C127515	127-51-5	alpha-Isomethylionone	DTXSID7027047				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C128041	128-04-1	Sodium dimethyldithiocarbamate	DTXSID6027050				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C128370	128-37-0	Butylated hydroxytoluene	DTXSID2020216				2	2	2	2.301029996	1.602059991	1.698970004	1.602059991	1.954242509
C128392	128-39-2	"2,6-Di-tert-butylphenol"	DTXSID6027052	1.698970004			2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C128639021	128639-02-1	Carfentrazone-ethyl	DTXSID4032532				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C128950	128-95-0	"1,4-Diaminoanthraquinone"	DTXSID2041252		1.698970004		2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C129000	129-00-0	Pyrene	DTXSID3024289				2	2	2	2.301029996	1.903089987	2	1.903089987	2
C129066	129-06-6	Sodium warfarin	DTXSID7035010		1.698970004		2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C129179	129-17-9	Sulfan blue	DTXSID3026065		1.698970004		2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C129298915	129298-91-5	TNP-470	DTXSID0041141				1.477121255	1.477121255	1.477121255	1.77815125	1.301029996	1.477121255	1.301029996	1.477121255
C129299907	129299-90-7	Fabesetron hydrochloride	DTXSID7048168				1.954242509	1.954242509	1.954242509	1.77815125	1.84509804	1.903089987	1.84509804	1.903089987
C129453618	129453-61-8	Fulvestrant	DTXSID4022369	-1.22184875	1.698970004	1.477121255	0	0	1.77815125	2	1.602059991	1.698970004	1.698970004	1.698970004
C129630199	129630-19-9	Pyraflufen-ethyl	DTXSID8034871				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C1300727	1300-72-7	Sodium xylenesulfonate	DTXSID3026302				2	2	2	2.301029996	1.602059991	1.954242509	1.602059991	1.954242509
C1300738	1300-73-8	Dimethylaniline	DTXSID8027377		1.698970004		2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C130143	130-14-3	Sodium 1-naphthalenesulfonate	DTXSID3042394				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C1303113	1303-11-3	Indium arsenide	DTXSID5023825				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C13071799	13071-79-9	Terbufos	DTXSID2022254				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C131113	131-11-3	Dimethyl phthalate	DTXSID3022455	1.698970004		1.698970004	2	2	2	2	1.602059991	1.698970004	1.602059991	1.954242509
C131179	131-17-9	Diallyl phthalate	DTXSID7020392		1.698970004		2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C131180	131-18-0	Dipentyl phthalate	DTXSID5031131				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C131341861	131341-86-1	Fludioxonil	DTXSID2032398	1.698970004		1.698970004	2	2	2	1.77815125	1.903089987	1.954242509	1.903089987	1.954242509
C131555	131-55-5	"2,2',4,4'-Tetrahydroxybenzophenone"	DTXSID5041306	1.698970004	1.698970004	1.698970004	2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C131566	131-56-6	"2,4-Dihydroxybenzophenone"	DTXSID8022406	1.698970004	1.698970004	1.698970004	2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C131577	131-57-7	2-Hydroxy-4-methoxybenzophenone	DTXSID3022405				2	2	2	2.301029996	1.602059991	1.698970004	1.602059991	1.954242509
C131704	131-70-4	Monobutyl phthalate	DTXSID4040002	1.698970004		1.698970004	2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C13171001	13171-00-1	"1-(6-tert-Butyl-1,1-dimethyl-2,3-dihydro-1H-inden-4-yl)ethanone"	DTXSID9044536				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C131807573	131807-57-3	Famoxadone	DTXSID8034588				2	2	2	0.77815125	1.903089987	1.954242509	1.903089987	1.954242509
C131860338	131860-33-8	Azoxystrobin	DTXSID0032520	1.698970004		1.698970004	2	2	2	2	1.903089987	2	1.903089987	2
C13194484	13194-48-4	Ethoprop	DTXSID4032611	1.698970004		1.698970004	2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C131983727	131983-72-7	Triticonazole	DTXSID0032655	1.698970004	1.698970004		2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C1320076	1320-07-6	"C.I. Acid Orange 24, monosodium salt"	DTXSID7041708		1.698970004	1.698970004	2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C1321740	1321-74-0	Divinylbenzene	DTXSID2025216				1.602059991	1.602059991	1.602059991	1.903089987	2.477121255	2.602059991	2.477121255	2.602059991
C1323199	1323-19-9	Sodium triisopropyl naphthalene sulfonate	DTXSID4044537			1.698970004	2	2	2	1.84509804	1.903089987	1.954242509	1.903089987	1.954242509
C1323382	1323-38-2	Glyceryl monoricinoleate	DTXSID3042007		1.698970004		2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C13254347	13254-34-7	"2,6-Dimethyl-2-heptanol"	DTXSID6041424		1.698970004		2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C132649	132-64-9	Dibenzofuran	DTXSID2021993				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C132650	132-65-0	Dibenzothiophene	DTXSID0047741				2	2	2	2.301029996	1.602059991	1.954242509	1.602059991	1.698970004
C13292461	13292-46-1	Rifampicin	DTXSID6021244				1.77815125	1.77815125	1.77815125	2	1.602059991	1.698970004	1.903089987	1.77815125
C13301616	13301-61-6	C.I. Disperse Orange 37	DTXSID9044538		1.698970004	1.698970004	2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C133062	133-06-2	Captan	DTXSID9020243	1.698970004		1.698970004	2	2	2	0.698970004	1.602059991	1.698970004	1.903089987	1.954242509
C133073	133-07-3	Folpet	DTXSID0021385	1.698970004		1.698970004	2	2	2	1.602059991	1.903089987	1.954242509	1.903089987	1.954242509
C1330785	1330-78-5	Tricresyl phosphate	DTXSID4021391				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C1330865	1330-86-5	Diisooctyl adipate	DTXSID7027388		1.698970004		2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C13311847	13311-84-7	Flutamide	DTXSID7032004	1.698970004	1.698970004	1.698970004	2	2	2	2.301029996	1.602059991	1.698970004	1.903089987	1.954242509
C1333397	1333-39-7	Phenolsulfonic acid	DTXSID1027390				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C1335462	1335-46-2	Methylionone	DTXSID0029214				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C1338438	1338-43-8	"Sorbitan, mono-(9Z)-9-octadecenoate"	DTXSID6027397			1.698970004	2	2	2	2.301029996	1.602059991	1.954242509	1.602059991	1.954242509
C133855988	133855-98-8	Epoxiconazole	DTXSID1040372		1.698970004		2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C133904	133-90-4	Chloramben	DTXSID2020262				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C134002601	134002-60-1	CP-085958	DTXSID5047297		1.698970004		2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C134032	134-03-2	Sodium L-ascorbate	DTXSID0020105			1.698970004	2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C134203	134-20-3	Methyl 2-aminobenzoate	DTXSID6025567				2	2	2	2.301029996	1.84509804	1.954242509	1.84509804	1.954242509
C134316	134-31-6	8-Hydroxyquinoline sulfate	DTXSID6025436				2	2	2	2.301029996	1.84509804	1.954242509	1.84509804	1.954242509
C134523038	134523-03-8	Atorvastatin calcium	DTXSID6044303		1.301029996		1.602059991	1.602059991	1.602059991	1.954242509	1.602059991	1.698970004	1.477121255	1.602059991
C134605644	134605-64-4	Butafenacil	DTXSID9034365				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C134623	134-62-3	DEET	DTXSID2021995				2	2	2	2	1.602059991	1.698970004	1.903089987	1.954242509
C13463417	13463-41-7	Zinc pyrithione	DTXSID7026314			1.301029996	1.698970004	1.698970004	1.698970004	0	1.903089987	1.698970004	1.602059991	1.954242509
C135080034	135080-03-4	CP-100829	DTXSID7047304			1.698970004	2	2	2	1.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C135158542	135158-54-2	Acibenzolar-S-methyl	DTXSID1032519	1.698970004	1.698970004		2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C135193	135-19-3	2-Naphthalenol	DTXSID5027061				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C135206	135-20-6	Cupferron	DTXSID1020352		1.698970004		2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C135410207	135410-20-7	Acetamiprid	DTXSID0034300				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C136042198	136042-19-8	FR130739	DTXSID1048178			1.698970004	2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C136458	136-45-8	"Dipropyl 2,5-pyridinedicarboxylate"	DTXSID8032544				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C136607	136-60-7	Butyl benzoate	DTXSID8040694				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C13674845	13674-84-5	Tris(2-chloroisopropyl)phosphate	DTXSID5026259				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C13674878	13674-87-8	TDCPP	DTXSID9026261	1.698970004	1.698970004		2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C136776	136-77-6	4-Hexylresorcinol	DTXSID1020699	1.698970004	1.698970004		2	2	2	1.84509804	1.602059991	1.954242509	1.903089987	1.954242509
C13680358	13680-35-8	"4,4'-Methylenebis(2,6-diethylaniline)"	DTXSID4048191				2	2	2	1.84509804	1.903089987	1.954242509	1.903089987	1.954242509
C13684565	13684-56-5	Desmedipham	DTXSID0034518		1.698970004		2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C13684634	13684-63-4	Phenmedipham	DTXSID1024255				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C137268	137-26-8	Thiram	DTXSID5021332				2	2	2	0.77815125	1.903089987	1.954242509	1.903089987	1.954242509
C137304	137-30-4	Ziram	DTXSID0021464			1.301029996	2	2	2	0.602059991	1.903089987	1.954242509	1.602059991	1.954242509
C137428	137-42-8	Metam-sodium	DTXSID2029167				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C13755298	13755-29-8	Sodium tetrafluoroborate	DTXSID9021477				2	2	2	2.301029996	1.903089987	2	1.903089987	1.954242509
C137666	137-66-6	Ascorbyl palmitate	DTXSID3041611		1.698970004		2	2	2	2.301029996	1.602059991	1.954242509	1.903089987	1.954242509
C138227	138-22-7	Butyl lactate	DTXSID7042196				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C138261413	138261-41-3	Imidacloprid	DTXSID5032442	1.698970004		1.698970004	2	2	2	2	1.602059991	1.698970004	1.602059991	1.954242509
C13826352	13826-35-2	3-Phenoxybenzenemethanol	DTXSID7027756		1.698970004		2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C138472012	138472-01-2	FR900409	DTXSID2048167				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C138863	138-86-3	Limonene	DTXSID2029612				2	2	2	2.301029996	1.602059991	1.698970004	1.602059991	1.954242509
C139026	139-02-6	Sodium phenolate	DTXSID4027072				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C139139	139-13-9	Nitrilotriacetic acid	DTXSID6020939	1.698970004			1.954242509	1.954242509	1.954242509	2.301029996	1.903089987	1.954242509	1.903089987	1.903089987
C139149556	139149-55-6	SB202235	DTXSID1047318				2	2	2	1.84509804	1.903089987	1.954242509	1.903089987	1.954242509
C139290656	139290-65-6	Volinanserin	DTXSID6047363				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C139340560	139340-56-0	Darbufelone mesylate	DTXSID0047246		1.698970004		2	2	2	1.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C139402	139-40-2	Propazine	DTXSID3021196				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C139877	139-87-7	Ethyl diethanolamine	DTXSID8041955				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C139888	139-88-8	"7-Ethyl-2-methyl-4-undecanolsulfate, sodium salt"	DTXSID3041530			1.698970004	2	2	2	2.301029996	1.602059991	1.698970004	1.903089987	1.954242509
C139968	139-96-8	Dodecyl sulfate triethanolamine	DTXSID4027076			1.698970004	2	2	2	1.84509804	1.903089987	1.954242509	1.903089987	1.954242509
C140089	140-08-9	Tris(2-chloroethyl) phosphite	DTXSID0026258				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C140103	140-10-3	E-Cinnamic acid	DTXSID5022489				2	2	2	2.301029996	1.602059991	1.698970004	1.602059991	1.954242509
C140114	140-11-4	Benzyl acetate	DTXSID0020151				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C1401554	1401-55-4	Tannic acid	DTXSID2026076		1.301029996	1.301029996	1.477121255	1.477121255	1.477121255	1.77815125	1.602059991	1.698970004	1.301029996	1.477121255
C140318	140-31-8	1-(2-Aminoethyl)piperazine	DTXSID2021997				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C140385	140-38-5	4-Chlorophenylurea	DTXSID5041512				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C140567	140-56-7	Fenaminosulf	DTXSID6040371				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C140647	140-64-7	Pentamidine isethionate	DTXSID5023796	1.602059991	1.602059991		1.954242509	1.954242509	1.954242509	2.301029996	1.602059991	1.698970004	1.84509804	1.954242509
C140669	140-66-9	"4-(1,1,3,3-Tetramethylbutyl)phenol"	DTXSID9022360	1.698970004		1.698970004	2	2	2	1.301029996	1.602059991	1.698970004	1.602059991	1.954242509
C140670	140-67-0	Estragole	DTXSID0020575				2	2	2	2.301029996	1.84509804	1.954242509	1.84509804	1.954242509
C140954	140-95-4	Dimethylolurea	DTXSID6025141				2	2	2	2.301029996	1.903089987	2	1.903089987	2
C141048	141-04-8	Diisobutyl adipate	DTXSID9036690				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C141112290	141112-29-0	Isoxaflutole	DTXSID5034723				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C141220	141-22-0	"(9Z,12R)-12-Hydroxyoctadec-9-enoic acid"	DTXSID0041567			1.698970004	2	2	2	2.301029996	1.602059991	1.698970004	1.903089987	1.954242509
C141322	141-32-2	Butyl acrylate	DTXSID6024676				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C141435	141-43-5	Ethanolamine	DTXSID6022000				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C141517217	141517-21-7	Trifloxystrobin	DTXSID4032580				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C141662	141-66-2	Dicrotophos	DTXSID9023914				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C141797	141-79-7	4-Methylpent-3-en-2-one	DTXSID1029170				2	2	2	2.301029996	1.903089987	2	1.903089987	1.954242509
C142041	142-04-1	Aniline hydrochloride	DTXSID3020091				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C142165	142-16-5	Bis(2-ethylhexyl) maleate	DTXSID2027094				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C142187	142-18-7	1-Monolaurin	DTXSID5041275				2	2	2	2.301029996	1.602059991	1.698970004	1.903089987	1.954242509
C142314	142-31-4	Sodium octyl sulfate	DTXSID9036226				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C14233375	14233-37-5	"1,4-Bis(N-isopropylamino)anthraquinone"	DTXSID2041250				1.698970004	1.698970004	1.698970004	2	1.602059991	1.698970004	1.602059991	1.698970004
C142459583	142459-58-3	Flufenacet	DTXSID2032552				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C142621	142-62-1	Hexanoic acid	DTXSID7021607				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C142870	142-87-0	Sodium decyl sulfate	DTXSID4036229				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C143077	143-07-7	Dodecanoic acid	DTXSID5021590				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C143088	143-08-8	1-Nonanol	DTXSID6022008				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C143226	143-22-6	2-[2-(2-Butoxyethoxy)ethoxy]ethanol	DTXSID7021520				1.77815125	1.77815125	1.77815125	2	1.602059991	1.954242509	1.903089987	1.698970004
C143390890	143390-89-0	Kresoxim-methyl	DTXSID2032558				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C1434544	1434-54-4	Pregnenolone carbonitrile	DTXSID7037262				1.77815125	1.77815125	1.77815125	2	1.698970004	1.77815125	1.698970004	1.77815125
C143500	143-50-0	Kepone	DTXSID1020770		1.698970004	1.698970004	2	2	2	1.84509804	1.84509804	1.954242509	1.903089987	1.954242509
C14351667	14351-66-7	Sodium abietate	DTXSID8042399				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C14371109	14371-10-9	(2E)-3-Phenylprop-2-enal	DTXSID6024834				2	2	2	2.301029996	1.903089987	1.954242509	1.602059991	1.954242509
C143748	143-74-8	Phenol red	DTXSID8022408				2	2	2	2.301029996	1.602059991	1.698970004	1.602059991	1.954242509
C144490	144-49-0	Fluoroacetic acid	DTXSID0041981				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C144550367	144550-36-7	Iodosulfuron-methyl-sodium	DTXSID2034673				2	2	2	2	1.84509804	1.954242509	1.84509804	1.954242509
C1445756	1445-75-6	Diisopropyl methylphosphonate	DTXSID5024051				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C144627	144-62-7	Oxalic acid	DTXSID0025816				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C145701219	145701-21-9	Diclosulam	DTXSID4034528				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C145733	145-73-3	Endothal	DTXSID7024081				1.954242509	1.954242509	1.954242509	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C145742285	145742-28-5	CP-122721	DTXSID9047251	1.698970004			2	2	2	1.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C1459934	1459-93-4	Dimethyl isophthalate	DTXSID8027402				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C146011656	146011-65-6	FR145237	DTXSID6048171				1.954242509	1.954242509	1.954242509	2.301029996	1.84509804	1.903089987	1.84509804	1.903089987
C1461229	1461-22-9	Tributyltin chloride	DTXSID3027403	1.698970004	1.698970004	1.698970004	2	2	2	0.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C1461252	1461-25-2	Tetrabutyltin	DTXSID4022153				2	2	2	1.84509804	1.903089987	1.954242509	1.903089987	1.954242509
C147240	147-24-0	Diphenhydramine hydrochloride	DTXSID4020537				2	2	2	2.301029996	1.602059991	1.698970004	1.903089987	1.954242509
C14765301	14765-30-1	2-sec-Butylcyclohexanone	DTXSID4041818				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C1477550	1477-55-0	"1,3-Benzenedimethanamine"	DTXSID9029649				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C147819	147-81-9	Arabinose	DTXSID8041610				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C1478611	1478-61-1	Bisphenol AF	DTXSID7037717	1.698970004	1.698970004	1.698970004	2	2	2	1.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C14816183	14816-18-3	Phoxim	DTXSID8034324				2	2	2	2.301029996	1.602059991	1.698970004	1.602059991	1.954242509
C148243	148-24-3	8-Hydroxyquinoline	DTXSID5020730				2	2	2	2.301029996	1.602059991	1.698970004	1.903089987	1.954242509
C148477718	148477-71-8	Spirodiclofen	DTXSID6034928				2	2	2	0.698970004	1.903089987	1.954242509	1.903089987	1.954242509
C148798	148-79-8	Thiabendazole	DTXSID0021337				2	2	2	2.301029996	1.602059991	1.954242509	1.602059991	1.954242509
C1490046	1490-04-6	Menthol	DTXSID8029650				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C14901076	14901-07-6	"4-(2,6,6-Trimethyl-cyclohex-1-enyl)-but-3-en-2-one"	DTXSID9025451				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C149062759	149062-75-9	PharmaGSID_47259	DTXSID9047259	1.301029996			1.698970004	1.698970004	1.698970004	2	1.602059991	1.698970004	1.602059991	1.698970004
C149304	149-30-4	2-Mercaptobenzothiazole	DTXSID1020807		1.698970004		2	2	2	2.301029996	1.602059991	1.954242509	1.602059991	1.954242509
C149413741	149413-74-1	FR150011	DTXSID1048170	1.698970004		1.698970004	2	2	2	1.84509804	1.903089987	1.954242509	1.903089987	1.954242509
C149575	149-57-5	2-Ethylhexanoic acid	DTXSID9025293	1.698970004			2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C149877418	149877-41-8	Bifenazate	DTXSID5032525				2	2	2	2	1.954242509	2	1.954242509	2
C149979419	149979-41-9	Tepraloxydim	DTXSID7034252				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C150130	150-13-0	4-Aminobenzoic acid	DTXSID6024466				2	2	2	2.301029996	1.602059991	1.954242509	1.602059991	1.954242509
C15046750	15046-75-0	Sodium 2-methylbenzenesulfonate	DTXSID2044553				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C150685	150-68-5	Monuron	DTXSID0020311				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C150765	150-76-5	4-Methoxyphenol	DTXSID4020828				2	2	2	2.301029996	1.602059991	1.698970004	1.84509804	1.954242509
C150787	150-78-7	Hydroquinone dimethyl ether	DTXSID0022014				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C151053	151-05-3	Dimethylbenzylcarbinyl acetate	DTXSID3041877				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C151213	151-21-3	Sodium dodecyl sulfate	DTXSID1026031			1.698970004	2	2	2	1.84509804	1.602059991	1.698970004	1.903089987	1.954242509
C151506444	151506-44-4	FR140423	DTXSID6048175	1.698970004			2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C15214898	15214-89-8	2-Acrylamido-2-methyl-1-propanesulfonic acid	DTXSID5027770				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C15299997	15299-99-7	Napropamide	DTXSID5024211	1.698970004	1.698970004		2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C15307796	15307-79-6	Diclofenac sodium	DTXSID3037208				2	2	2	2.301029996	1.602059991	1.698970004	1.903089987	1.954242509
C15310017	15310-01-7	Benodanil	DTXSID7041623				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C153233911	153233-91-1	Etoxazole	DTXSID8034586				1.84509804	1.84509804	1.84509804	1.477121255	1.698970004	1.77815125	1.698970004	1.77815125
C153719234	153719-23-4	Thiamethoxam	DTXSID2034962				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C1541817	1541-81-7	4-Dodecylmorpholine	DTXSID4042171				2	2	2	1.84509804	1.903089987	1.954242509	1.903089987	1.954242509
C154427	154-42-7	6-Thioguanine	DTXSID6023652				2	2	2	2.301029996	1.602059991	1.698970004	1.602059991	1.954242509
C15499271	15499-27-1	4-Butylchlorobenzene	DTXSID9048192				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C155569918	155569-91-8	Emamectin benzoate	DTXSID0034566		1.698970004		2	2	2	-0.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C1559348	1559-34-8	"3,6,9,12-Tetraoxahexadecan-1-ol"	DTXSID2027412				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C1559359	1559-35-9	2-(2-Ethylhexyloxy)ethanol	DTXSID1041920				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C155990208	155990-20-8	SR271425	DTXSID8047347	1.698970004	1.698970004	1.698970004	2	2	2	0.602059991	1.903089987	1.954242509	1.903089987	1.954242509
C156052685	156052-68-5	Zoxamide	DTXSID9032581				2	2	2	0.698970004	1.903089987	1.954242509	1.903089987	1.954242509
C156105	156-10-5	4-Nitrosodiphenylamine	DTXSID1021031		1.698970004		2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C15619484	15619-48-4	1-Benzylquinolinium chloride	DTXSID8044593				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C1563388	1563-38-8	"2,3-Dihydro-2,2-dimethyl-7-benzofuranol"	DTXSID2027414				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C1563662	1563-66-2	Carbofuran	DTXSID9020249				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C156434	156-43-4	4-Ethoxyaniline	DTXSID0025864				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C156605	156-60-5	"(E)-1,2-Dichloroethylene"	DTXSID7024031				2	2	2	2.301029996	1.903089987	1.954242509	1.84509804	1.954242509
C1569013	1569-01-3	1-Propoxy-2-propanol	DTXSID5029217				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C1569024	1569-02-4	1-Ethoxy-2-propanol	DTXSID1041267				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C1570645	1570-64-5	4-Chloro-2-methylphenol	DTXSID5022510				2	2	2	2.301029996	1.84509804	1.954242509	1.84509804	1.954242509
C15708415	15708-41-5	Ethylenediaminetetraacetic acid ferric sodium salt	DTXSID5027774		1.698970004		1.954242509	1.954242509	1.954242509	2.301029996	1.602059991	1.698970004	1.954242509	1.903089987
C158081993	158081-99-3	CP-105696	DTXSID7047308				2	2	2	1.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C1582098	1582-09-8	Trifluralin	DTXSID4021395	1.698970004		1.698970004	2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C159138815	159138-81-5	Cariporide mesylate	DTXSID3047344				1.84509804	1.84509804	1.84509804	2.301029996	1.77815125	1.84509804	1.77815125	1.84509804
C1596845	1596-84-5	Daminozide	DTXSID9020370				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C15972608	15972-60-8	Alachlor	DTXSID1022265		1.698970004		2	2	2	1.301029996	1.84509804	1.954242509	1.903089987	1.954242509
C16079882	16079-88-2	"Bromo-3-chloro-5,5-dimethylhydantoin"	DTXSID3032591				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C1610180	1610-18-0	Prometon	DTXSID6022341				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C161050584	161050-58-4	Methoxyfenozide	DTXSID3032628				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C161326347	161326-34-7	Fenamidone	DTXSID2034590				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C16219753	16219-75-3	5-Ethylidene-2-norbornene	DTXSID1025306				2	2	2	2.301029996	1.84509804	1.954242509	1.84509804	1.954242509
C1625918	1625-91-8	"4,4'-Di-tert-butylbiphenyl"	DTXSID4048193				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C162706141	162706-14-1	UK-156819	DTXSID2047309	1.698970004			2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C1632731	1632-73-1	Fenchol	DTXSID1041970				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C1634782	1634-78-2	Malaoxon	DTXSID9020790	1.698970004			2	2	2	2	1.84509804	1.954242509	1.84509804	1.954242509
C163520330	163520-33-0	Isoxadifen-ethyl	DTXSID7040360				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C1638228	1638-22-8	4-Butylphenol	DTXSID3047425		1.698970004		2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C16423680	16423-68-0	FD&C Red 3	DTXSID7021233	1	0.301029996	1	1.77815125	1.77815125	1.77815125	2	1.903089987	1.954242509	1.698970004	1.954242509
C1646759	1646-75-9	Aldicarb oxime	DTXSID9024431	1.698970004		1.698970004	2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C1646873	1646-87-3	Aldicarb sulfoxide	DTXSID1033161		1.698970004	1.698970004	2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C1646884	1646-88-4	Aldoxycarb	DTXSID6023862		1.698970004		2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C165252700	165252-70-0	Dinotefuran	DTXSID7034549				2	2	2	2.301029996	1.84509804	1.954242509	1.84509804	1.954242509
C16587716	16587-71-6	4-(tert-Pentyl)-cyclohexanone	DTXSID4047127				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C166412788	166412-78-8	"Diisononyl cyclohexane-1,2-dicarboxylate"	DTXSID8047395				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C16672870	16672-87-0	Ethephon	DTXSID7024085				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C1671756	1671-75-6	Heptanophenone	DTXSID9048194				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C16752775	16752-77-5	Methomyl	DTXSID1022267	1.698970004		1.698970004	2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C1675543	1675-54-3	Bisphenol A diglycidyl ether	DTXSID6024624		1.698970004		2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C16893859	16893-85-9	Sodium hexafluorosilicate	DTXSID9036933				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C1689845	1689-84-5	Bromoxynil	DTXSID3022162				1.903089987	1.903089987	1.903089987	2	1.903089987	1.954242509	1.903089987	1.84509804
C169590425	169590-42-5	Celecoxib	DTXSID0022777			1.698970004	2	2	2	1.301029996	1.602059991	1.698970004	1.903089987	1.698970004
C1698608	1698-60-8	Chloridazon	DTXSID3034872				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C1702176	1702-17-6	Clopyralid	DTXSID9029221				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C171866312	171866-31-2	CP-283097	DTXSID8047264				1.698970004	1.698970004	1.698970004	2	1.602059991	1.698970004	1.602059991	1.698970004
C1724396	1724-39-6	Cyclododecanol	DTXSID1027429		1.698970004		2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C173584446	173584-44-6	Indoxacarb	DTXSID1032690		1.602059991		1.903089987	1.903089987	1.903089987	2	1.77815125	1.84509804	1.77815125	1.84509804
C17372871	17372-87-1	Eosin	DTXSID0025234		1.698970004	1.698970004	1.954242509	1.954242509	1.954242509	2.301029996	1.602059991	1.698970004	1.84509804	1.698970004
C174185161	174185-16-1	FR167356	DTXSID1048174	1.698970004	1.698970004		2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C1742149	1742-14-9	"1,1-Bis(3,4-dimethylphenyl)ethane"	DTXSID9029223				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C17465860	17465-86-0	gamma-Cyclodextrin	DTXSID5047033				1.602059991	1.602059991	1.602059991	1.84509804	1.477121255	1.477121255	1.477121255	1.477121255
C175013180	175013-18-0	Pyraclostrobin	DTXSID7032638				2	2	2	1	1.903089987	1.954242509	1.903089987	1.954242509
C1760243	1760-24-3	"N-[3-(Trimethoxysilyl)propyl]ethane-1,2-diamine"	DTXSID5027433				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C1762954	1762-95-4	"Thiocyanic acid, ammonium salt"	DTXSID3029653		1.602059991		1.903089987	1.903089987	1.903089987	2.301029996	1.77815125	1.84509804	1.77815125	1.84509804
C1763231	1763-23-1	PFOS	DTXSID3031864	1.698970004	1.698970004	1.698970004	2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C17696627	17696-62-7	Phenylparaben	DTXSID4047882		1.698970004		2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C177785476	177785-47-6	PharmaGSID_47261	DTXSID3047261			1.698970004	2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C17796826	17796-82-6	N-(Cyclohexylthio)phthalimide	DTXSID8027793				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C17804352	17804-35-2	Benomyl	DTXSID5023900				2	2	2	1	1.903089987	1.954242509	1.903089987	1.954242509
C17924924	17924-92-4	Zearalenone	DTXSID0021460				1.602059991	1.602059991	1.602059991	1.903089987	1.84509804	1.903089987	1.477121255	1.903089987
C179465715	179465-71-5	CJ-013790	DTXSID2047303				2	2	2	1.84509804	1.903089987	1.954242509	1.903089987	1.954242509
C180084019	180084-01-9	SB236057A	DTXSID5047320		1.698970004	1.698970004	1.954242509	1.954242509	1.954242509	0.84509804	1.84509804	1.954242509	1.84509804	1.954242509
C1806264	1806-26-4	4-Octylphenol	DTXSID9022312				2	2	2	1.84509804	1.903089987	1.954242509	1.903089987	1.954242509
C181274157	181274-15-7	Propoxycarbazone-sodium	DTXSID9034864				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C181274179	181274-17-9	Flucarbazone-sodium	DTXSID3034614				1.954242509	1.954242509	1.954242509	2.301029996	1.84509804	1.954242509	1.84509804	1.954242509
C181640095	181640-09-5	SR144190	DTXSID4047339				1.954242509	1.954242509	1.954242509	2.301029996	1.84509804	1.954242509	1.84509804	1.954242509
C18172673	18172-67-3	(-)-beta-Pinene	DTXSID1041184				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C1825214	1825-21-4	Pentachloroanisole	DTXSID2021103				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C1836755	1836-75-5	Nitrofen	DTXSID7020970			1.698970004	2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C1843056	1843-05-6	Octabenzone	DTXSID9027441				2	2	2	2.301029996	1.602059991	1.698970004	1.602059991	1.954242509
C184653847	184653-84-7	Carabersat	DTXSID6047319				2	2	2	1.954242509	1.84509804	1.954242509	1.84509804	1.954242509
C1861321	1861-32-1	Chlorthal-dimethyl	DTXSID0024000				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C1861401	1861-40-1	Benfluralin	DTXSID3023899	1.698970004		1.698970004	2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C186392654	186392-65-4	Ingliforib	DTXSID4047252				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C1873887	1873-88-7	"1,1,1,3,5,5,5-Heptamethyltrisiloxane"	DTXSID1038795				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C188425856	188425-85-6	Boscalid	DTXSID6034392				2	2	2	2	1.903089987	2	1.903089987	2
C188489078	188489-07-8	Flufenpyr-ethyl	DTXSID3034618				2	2	2	1.903089987	1.903089987	1.954242509	1.903089987	1.954242509
C189003927	189003-92-7	Trelanserin	DTXSID2047355				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C18924668	18924-66-8	"2,2'-(Tetradecylimino)diethanol"	DTXSID5044865			1.698970004	2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C1897456	1897-45-6	Chlorothalonil	DTXSID0020319	1.698970004	1.698970004	1.698970004	2	2	2	-0.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C18979550	18979-55-0	4-(Hexyloxy)phenol	DTXSID4048195				2	2	2	1.84509804	1.903089987	1.954242509	1.903089987	1.954242509
C19044883	19044-88-3	Oryzalin	DTXSID8024238				2	2	2	0.698970004	1.903089987	2	1.903089987	2
C1907659	1907-65-9	N-Butyl-p-toluenesulfonamide	DTXSID7042198				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C1912249	1912-24-9	Atrazine	DTXSID9020112	1.698970004		1.698970004	2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C1918009	1918-00-9	Dicamba	DTXSID4024018				2	2	2	1.903089987	1.903089987	1.954242509	1.903089987	1.954242509
C1918021	1918-02-1	Picloram	DTXSID1021160				2	2	2	2	1.903089987	2	1.903089987	1.954242509
C1918167	1918-16-7	Propachlor	DTXSID4024274				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C1929733	1929-73-3	"2,4-D-Butotyl"	DTXSID1032309				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C1929777	1929-77-7	Vernolate	DTXSID7024376				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C1929824	1929-82-4	Nitrapyrin	DTXSID0024216				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C1934210	1934-21-0	FD&C Yellow 5	DTXSID1021455				1.954242509	1.954242509	1.954242509	2.301029996	1.602059991	1.698970004	1.903089987	1.954242509
C1936158	1936-15-8	C.I. Acid Orange 10	DTXSID6021082				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C194098254	194098-25-4	CP-409092	DTXSID2047276				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C1948330	1948-33-0	tert-Butylhydroquinone	DTXSID6020220				2	2	2	2.301029996	1.602059991	1.698970004	1.602059991	1.954242509
C19666309	19666-30-9	Oxadiazon	DTXSID3024239				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C196808454	196808-45-4	Farglitazar	DTXSID1047310	1.698970004	1.698970004	1.698970004	2	2	2	1.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C197077557	197077-55-7	UK-333747	DTXSID1047287				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C19774824	19774-82-4	Amiodarone hydrochloride	DTXSID7037185		1.602059991	1.602059991	1.903089987	1.903089987	1.903089987	2.301029996	1.602059991	1.698970004	1.77815125	1.84509804
C19780111	19780-11-1	(2-Dodecenyl)succinic anhydride	DTXSID7025217				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C1987504	1987-50-4	4-Heptylphenol	DTXSID2037714	-1	-0.698970004	1.698970004	2	2	2	1.84509804	1.903089987	1.954242509	1.903089987	1.954242509
C199119589	199119-58-9	Trifloxysulfuron-sodium	DTXSID8040222				2	2	2	2	1.84509804	1.954242509	1.84509804	1.954242509
C199171885	199171-88-5	CP-401387	DTXSID9047253				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C199584388	199584-38-8	1-Methoxy-4-tert-pentylcyclohexane	DTXSID0048187				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C2008415	2008-41-5	Butylate	DTXSID7023936				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C200940234	200940-23-4	SB243213A	DTXSID5047322		1.698970004		1.954242509	1.954242509	1.954242509	1.301029996	1.84509804	1.903089987	1.84509804	1.903089987
C2016571	2016-57-1	1-Decanamine	DTXSID2022171				2	2	2	1.84509804	1.903089987	1.954242509	1.903089987	1.954242509
C20265978	20265-97-8	4-Methoxyaniline hydrochloride	DTXSID3020093				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C2031676	2031-67-6	Triethoxymethylsilane	DTXSID6042490				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C20325400	20325-40-0	"3,3'-Dimethoxybenzidine dihydrochloride"	DTXSID1020485	1.698970004	1.698970004		2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C203942498	203942-49-8	UK-337312	DTXSID6047288	1.698970004			2	2	2	1.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C2043574	2043-57-4	"1H,1H,2H,2H-Perfluorooctyl iodide"	DTXSID2047565				1.698970004	1.698970004	1.698970004	2	1.602059991	1.698970004	1.602059991	1.698970004
C2044646	2044-64-6	"N,N-Dimethylacetoacetamide"	DTXSID8027454		1.698970004		2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C2058460	2058-46-0	Oxytetracycline hydrochloride	DTXSID5021097				2	2	2	2.301029996	1.903089987	1.698970004	1.602059991	1.954242509
C2058948	2058-94-8	Perfluoroundecanoic acid	DTXSID8047553			1.698970004	2	2	2	2.301029996	1.84509804	1.954242509	1.84509804	1.954242509
C205992	205-99-2	Benzo(b)fluoranthene	DTXSID0023907		1.698970004		2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C206440	206-44-0	Fluoranthene	DTXSID3024104				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C207736058	207736-05-8	CI-1029	DTXSID8047262	1.698970004			2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C20780487	20780-48-7	"3,7-Dimethyloctan-3-yl acetate"	DTXSID5041487				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C2078548	2078-54-8	Propofol	DTXSID6023523				2	2	2	2.301029996	1.602059991	1.698970004	1.903089987	1.954242509
C20830755	20830-75-5	Digoxin	DTXSID5022934		1.477121255		1.84509804	1.84509804	1.84509804	2	1.903089987	1.77815125	1.903089987	1.77815125
C208968	208-96-8	Acenaphthylene	DTXSID3023845				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C2104645	2104-64-5	EPN	DTXSID7022174				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C210631688	210631-68-8	Topramezone	DTXSID0034722				1.602059991	1.602059991	1.602059991	1.954242509	1.477121255	1.602059991	1.477121255	1.602059991
C210826407	210826-40-7	CP-456773	DTXSID2047301				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C21087649	21087-64-9	Metribuzin	DTXSID6024204	1.698970004		1.698970004	2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C210880925	210880-92-5	Clothianidin	DTXSID2034465				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C2110181	2110-18-1	2-(3-Phenylpropyl)pyridine	DTXSID7042356				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C21145777	21145-77-7	"6-Acetyl-1,1,2,4,4,7-hexamethyltetralin"	DTXSID7041544		1.698970004		2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C2122705	2122-70-5	Ethyl 1-naphthaleneacetate	DTXSID3034583				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C21245023	21245-02-3	2-Ethylhexyl 4-(dimethylamino)benzoate	DTXSID7029320				2	2	2	2.301029996	1.602059991	1.954242509	1.602059991	1.954242509
C2144538	2144-53-8	Tridecafluorohexylethyl methacrylate	DTXSID3047558				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C214535770	214535-77-0	CP-457677	DTXSID2047278				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C215297271	215297-27-1	UK-343664	DTXSID1047289				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C2155706	2155-70-6	Tributyltin methacrylate	DTXSID9035204		1.698970004	1.698970004	2	2	2	0.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C21564170	21564-17-0	2-(Thiocyanomethylthio)benzothiazole	DTXSID6032647				2	2	2	0.602059991	1.903089987	1.954242509	1.903089987	1.954242509
C2164172	2164-17-2	Fluometuron	DTXSID8020628				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C21662099	21662-09-9	(4Z)-4-Decenal	DTXSID5041514				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C21725462	21725-46-2	Cyanazine	DTXSID1023990				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C2176627	2176-62-7	Pentachloropyridine	DTXSID2022179				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C219714962	219714-96-2	Penoxsulam	DTXSID0034803				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C219790724	219790-72-4	SB281832	DTXSID5047324				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C22047490	22047-49-0	2-Ethylhexyl octadecanoate	DTXSID9047178				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C220860504	220860-50-4	CP-457920	DTXSID4047254				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C221246124	221246-12-4	Fandosentan potassium salt	DTXSID5047249		1.698970004	1.698970004	2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C2212671	2212-67-1	Molinate	DTXSID6024206				2	2	2	2	1.84509804	1.954242509	1.84509804	1.954242509
C221671621	221671-62-1	SR146131	DTXSID6047369				1.903089987	1.903089987	1.903089987	2.301029996	1.77815125	1.903089987	1.77815125	1.903089987
C22224926	22224-92-6	Fenamiphos	DTXSID3024102		1.698970004		2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C22248799	22248-79-9	Z-Tetrachlorvinphos	DTXSID1032648				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C22260511	22260-51-1	Bromocriptine mesylate	DTXSID6020197		1.301029996		1.602059991	1.602059991	1.602059991	1.903089987	1.477121255	1.477121255	1.477121255	1.477121255
C2231574	2231-57-4	Thiocarbazide	DTXSID7027461				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C2243621	2243-62-1	"1,5-Naphthalenediamine"	DTXSID3020916				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C2244215	2244-21-5	Potassium dichloroisocyanurate	DTXSID5026178				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C22781233	22781-23-3	Bendiocarb	DTXSID9032327				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C22839470	22839-47-0	Aspartame	DTXSID0020107				2	2	2	2.301029996	1.602059991	1.698970004	1.903089987	1.954242509
C22915737	22915-73-7	"Hexane-1,6-diyl dibenzoate"	DTXSID0047539				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C23031369	23031-36-9	Prallethrin	DTXSID0032572	1.698970004	1.698970004		2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C2303175	2303-17-5	Tri-allate	DTXSID5024344	1.698970004		1.698970004	2	2	2	1.77815125	1.903089987	1.954242509	1.903089987	1.954242509
C23089261	23089-26-1	Levomenol	DTXSID4042094				2	2	2	1.84509804	1.903089987	1.954242509	1.903089987	1.954242509
C230954093	230954-09-3	CP-544439	DTXSID8047266				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C2310170	2310-17-0	Phosalone	DTXSID1024259	1.698970004			2	2	2	2	1.903089987	2	1.903089987	2
C23103982	23103-98-2	Pirimicarb	DTXSID1032569				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C2312358	2312-35-8	Propargite	DTXSID4024276	1.698970004		1.698970004	2	2	2	0.698970004	1.903089987	1.954242509	1.903089987	1.954242509
C23135220	23135-22-0	Oxamyl	DTXSID6021086	1.698970004		1.698970004	2	2	2	2	1.903089987	2	1.903089987	1.954242509
C23184669	23184-66-9	Butachlor	DTXSID3034402		1.698970004	1.698970004	2	2	2	0.698970004	1.903089987	1.954242509	1.903089987	1.954242509
C2321075	2321-07-5	Fluorescein	DTXSID0038887	1.698970004	1.698970004	1.698970004	2	2	2	2.301029996	1.602059991	1.954242509	1.903089987	1.954242509
C23386529	23386-52-9	Dicyclohexyl sodium sulfosuccinate	DTXSID8027826				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C23422539	23422-53-9	Formetanate hydrochloride	DTXSID4032405				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C2353459	2353-45-9	FD&C Green No. 3	DTXSID3020673		1.477121255	1.477121255	1.84509804	1.84509804	1.84509804	2	1.698970004	1.77815125	1.698970004	1.77815125
C23564058	23564-05-8	Thiophanate-methyl	DTXSID1024338				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C23564069	23564-06-9	Thiophanate	DTXSID3034531				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C23593751	23593-75-1	Clotrimazole	DTXSID7029871				2	2	2	1.301029996	1.903089987	1.301029996	1.903089987	1.954242509
C23779320	23779-32-0	1-[3-(Triethoxysilyl)propyl]urea	DTXSID5044493				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C2385855	2385-85-5	Mirex	DTXSID7020895				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C2386870	2386-87-0	UT-632	DTXSID2027466				2	2	2	2.301029996	2	2	2	1.954242509
C2390605	2390-60-5	Basic Blue 7	DTXSID5038888		1.698970004	1.698970004	2	2	2	0.84509804	1.903089987	1.954242509	1.903089987	1.954242509
C2392394	2392-39-4	Dexamethasone sodium phosphate	DTXSID3047429	1.698970004	-0.698970004	1.698970004	0	0	2	2.301029996	1.84509804	1.954242509	1.84509804	1.954242509
C23950585	23950-58-5	Propyzamide	DTXSID2020420	1.698970004		1.698970004	2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C2396681	2396-68-1	4-tert-Butylbenzenethiol	DTXSID9048196				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C2409554	2409-55-4	2-tert-Butyl-4-methylphenol	DTXSID2020212				2	2	2	1.84509804	1.903089987	1.954242509	1.903089987	1.954242509
C24157811	24157-81-1	"2,6-Diisopropylnaphthalene"	DTXSID7035272				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C24169026	24169-02-6	Econazole nitrate	DTXSID6025226		1.698970004	1.698970004	2	2	2	1.301029996	1.602059991	1.698970004	1.903089987	1.954242509
C2416946	2416-94-6	"2,3,6-Trimethylphenol"	DTXSID6022187				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C2425061	2425-06-1	Captafol	DTXSID4020242				2	2	2	0	1.903089987	1.954242509	1.903089987	1.954242509
C2425776	2425-77-6	2-Hexyl-1-decanol	DTXSID1041265				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C2426086	2426-08-6	Butyl glycidyl ether	DTXSID9024691				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C24307264	24307-26-4	Mepiquat chloride	DTXSID1024170				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C2432873	2432-87-3	Dioctyl succinate	DTXSID0047537				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C2433149	2433-14-9	4-Cyclohexylcyclohexanol	DTXSID3040722	1.698970004	1.698970004	1.698970004	0	0	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C2440224	2440-22-4	2-(2H-Benzotriazol-2-yl)-4-methylphenol	DTXSID1027479				2	2	2	2.301029996	1.602059991	1.698970004	1.903089987	1.698970004
C2445774	2445-77-4	2-Methylbutyl isovalerate	DTXSID4041440				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C2451629	2451-62-9	Triglycidyl isocyanurate	DTXSID4026262				2	2	2	2.301029996	1.903089987	1.698970004	1.903089987	1.954242509
C24549062	24549-06-2	2-Ethyl-6-methylaniline	DTXSID7027833		1.698970004		2	2	2	2.301029996	1.84509804	1.954242509	1.84509804	1.954242509
C2457014	2457-01-4	Barium bis(2-ethylhexanoate)	DTXSID8044888				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C24602866	24602-86-6	Tridemorph	DTXSID3041376				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C2465272	2465-27-2	Auramine hydrochloride	DTXSID9020114				1.954242509	1.954242509	1.954242509	2.301029996	1.903089987	1.954242509	1.84509804	1.954242509
C2467029	2467-02-9	Bisphenol F	DTXSID4022446		1.698970004		2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C24800440	24800-44-0	Tripropylene glycol	DTXSID7027837				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C24851987	24851-98-7	Methyl dihydrojasmonate	DTXSID2029325		1.698970004		2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C2491385	2491-38-5	2-Bromo-4-hydroxyacetophenone	DTXSID4034576				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C2492264	2492-26-4	Sodium 2-mercaptobenzothiolate	DTXSID1026035				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C249296433	249296-43-3	CJ-013610	DTXSID2047272				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C25057890	25057-89-0	Bentazone	DTXSID0023901			1.698970004	2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C25155184	25155-18-4	Methylbenzethonium chloride	DTXSID4035708		1.698970004	1.698970004	2	2	2	0.84509804	1.602059991	1.698970004	1.602059991	1.698970004
C25155300	25155-30-0	Sodium dodecylbenzenesulfonate	DTXSID7025219	1.698970004		1.698970004	2	2	2	1.301029996	1.602059991	1.954242509	1.602059991	1.954242509
C25168052	25168-05-2	Chlorotoluene	DTXSID0027852				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C25265718	25265-71-8	Dipropylene glycol	DTXSID0027856				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C2528167	2528-16-7	Monobenzyl phthalate	DTXSID9043938				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C25322694	25322-69-4	Polypropylene glycol	DTXSID9027863				1	1	1	1.477121255	0.77815125	0.84509804	0.77815125	0.84509804
C253450098	253450-09-8	Besonprodil	DTXSID2047270				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C25360105	25360-10-5	tert-Nonanethiol	DTXSID4027868				1.77815125	1.77815125	1.77815125	2	1.903089987	1.954242509	1.903089987	1.77815125
C25496724	25496-72-4	Glyceryl monooleate	DTXSID3027875		1.698970004	1.698970004	2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C25498491	25498-49-1	Tripropylene glycol monomethyl ether	DTXSID2029329				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C2550405	2550-40-5	Dicyclohexyl disulfide	DTXSID4047628				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C2554065	2554-06-5	"1,3,5,7-Tetramethyl-1,3,5,7-tetravinylcyclotetrasiloxane"	DTXSID3038808				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C25550985	25550-98-5	Diisodecylphenyl phosphite	DTXSID3027877				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C25606411	25606-41-1	Propamocarb hydrochloride	DTXSID6034849				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C25638179	25638-17-9	Butylnaphthalenesulfonic acid sodium salt	DTXSID2041703				1.954242509	1.954242509	1.954242509	2.301029996	1.84509804	1.954242509	1.84509804	1.954242509
C25812300	25812-30-0	Gemfibrozil	DTXSID0020652				2	2	2	2.301029996	1.602059991	1.698970004	1.903089987	1.954242509
C2593159	2593-15-9	Etridiazole	DTXSID3032547				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C25956176	25956-17-6	Allura Red C.I.16035	DTXSID4024436			1.698970004	2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C26002802	26002-80-2	Phenothrin	DTXSID7032688		1.698970004		2	2	2	2.301029996	1.602059991	1.954242509	1.903089987	1.954242509
C26027383	26027-38-3	Polyoxyethylene(10)nonylphenyl ether	DTXSID2036588				1.602059991	1.602059991	1.602059991	1.477121255	1.602059991	1.698970004	1.477121255	1.602059991
C26040517	26040-51-7	Bis(2-ethylhexyl) tetrabromophthalate	DTXSID7027887				1.84509804	1.84509804	1.84509804	2	1.77815125	1.84509804	1.77815125	1.84509804
C2605790	2605-79-0	"N,N-Dimethyldecylamine oxide"	DTXSID7042190				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C2610119	2610-11-9	C.I. Direct Red 81 disodium salt	DTXSID5041726		1.698970004	1.301029996	2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C26172554	26172-55-4	5-Chloro-2-methyl-3(2H)-isothiazolone	DTXSID9034286				2	2	2	2.301029996	1.602059991	1.698970004	1.903089987	1.954242509
C261947380	261947-38-0	CP-532623	DTXSID7047279				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C26225796	26225-79-6	Ethofumesate	DTXSID8034580				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C262376750	262376-75-0	HMR1426	DTXSID9047338		1.698970004		2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C26264062	26264-06-2	Calcium dodecylbenzene sulfonate	DTXSID1027891			1.301029996	1.698970004	1.698970004	1.698970004	1	1.602059991	1.698970004	1.602059991	1.698970004
C2627954	2627-95-4	"1,3-Divinyl-1,1,3,3-tetramethyl disiloxane"	DTXSID7038810				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C2634335	2634-33-5	"1,2-Benzisothiazolin-3-one"	DTXSID5032523				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C263553339	263553-33-9	GW473178E methyl benzene sulphonic acid	DTXSID6047313				1.84509804	1.84509804	1.84509804	2	1.698970004	1.77815125	1.698970004	1.77815125
C26402266	26402-26-6	Glyceryl monooctanoate	DTXSID8042006				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C26447109	26447-10-9	Ammonium xylene sulfonate	DTXSID1027899				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C264618442	264618-44-2	SSR146977	DTXSID8047341				1.301029996	1.301029996	1.301029996	0.77815125	1.301029996	1.301029996	1.301029996	1.301029996
C26530201	26530-20-1	Octhilinone	DTXSID1025805		1.698970004		2	2	2	1.84509804	1.903089987	1.954242509	1.903089987	1.954242509
C26628228	26628-22-8	Sodium azide	DTXSID8020121				2	2	2	2.301029996	1.903089987	2	1.903089987	1.954242509
C26644462	26644-46-2	Triforine	DTXSID5032654				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C2675776	2675-77-6	Chloroneb	DTXSID2024793				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C2687254	2687-25-4	"2,3-Diaminotoluene"	DTXSID4027494		1.698970004		2	2	2	2.301029996	1.84509804	1.954242509	1.903089987	1.954242509
C2687947	2687-94-7	N-Octyl-2-pyrrolidone	DTXSID4036435				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C2687969	2687-96-9	1-Dodecyl-2-pyrrolidinone	DTXSID4042206				2	2	2	1.84509804	1.903089987	1.954242509	1.903089987	1.954242509
C26896208	26896-20-8	Neodecanoic acid	DTXSID7027916				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C2694544	2694-54-4	Triallyl trimellitate	DTXSID4044901				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C2696846	2696-84-6	4-Propylaniline	DTXSID5048180				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C2702729	2702-72-9	"2,4-D sodium salt"	DTXSID4027496				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C27090637	27090-63-7	"N,N,N',N'-Tetrabutyl-1,6-hexanediamine"	DTXSID1027920				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C27138314	27138-31-4	Di(propylene glycol) dibenzoate	DTXSID6027921				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C27176870	27176-87-0	Dodecylbenzenesulfonic acid	DTXSID6027923			1.698970004	2	2	2	1.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C27178161	27178-16-1	Diisodecyl hexanedioate	DTXSID1027924	1.698970004			2	2	2	2.301029996	2	1.954242509	2	1.954242509
C271896	271-89-6	"2,3-Benzofuran"	DTXSID6020141				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C27193868	27193-86-8	Dodecylphenol	DTXSID1027926			1.698970004	2	2	2	1.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C27253334	27253-33-4	Calcium neodecanoate	DTXSID9044902				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C27306781	27306-78-1	Silwet L77	DTXSID1040611				2	2	2	1.84509804	1.903089987	1.954242509	1.903089987	1.954242509
C27314132	27314-13-2	Norflurazon	DTXSID8024234	1.698970004		1.698970004	2	2	2	2	1.84509804	1.954242509	1.84509804	1.954242509
C27323417	27323-41-7	Dodecylbenzene sulfonate triethanolamine(1:1)	DTXSID5027932			1.602059991	1.954242509	1.954242509	1.954242509	1.77815125	1.84509804	1.903089987	1.84509804	1.903089987
C27344418	27344-41-8	"Disodium 4,4'-bis(2-sulfostyryl)biphenyl"	DTXSID6036467			1.602059991	1.903089987	1.903089987	1.903089987	2.301029996	1.77815125	1.903089987	1.77815125	1.903089987
C2756561	2756-56-1	Isobornyl propanoate	DTXSID2042062				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C2761242	2761-24-2	Triethoxypentylsilane	DTXSID1042491				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C2772454	2772-45-4	"2,4-Bis(1-methyl-1-phenylethyl)phenol"	DTXSID7029241				2	2	2	1.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C2782572	2782-57-2	Troclosene	DTXSID8024993				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C2783940	2783-94-0	FD&C Yellow 6	DTXSID6021456				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C2795393	2795-39-3	PFOS-K	DTXSID8037706	1.698970004		1.698970004	2	2	2	1.77815125	1.84509804	1.954242509	1.84509804	1.954242509
C27955948	27955-94-8	"4,4',4""-Ethane-1,1,1-triyltriphenol"	DTXSID2037712	1.698970004	1.698970004		2	2	2	1.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C2807309	2807-30-9	2-Propoxyethanol	DTXSID1027500				2	2	2	2.301029996	1.84509804	1.954242509	1.903089987	1.954242509
C28159980	28159-98-0	Cybutryne	DTXSID3032416				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C28249776	28249-77-6	Thiobencarb	DTXSID6024337				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C283594901	283594-90-1	Spiromesifen	DTXSID1034929				2	2	2	2.301029996	1.903089987	2	1.903089987	2
C2835952	2835-95-2	5-Amino-2-methylphenol	DTXSID9024489				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C28434006	28434-00-6	S-Bioallethrin	DTXSID2039336				2	2	2	1.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C28631665	28631-66-5	C.I. Acid Blue 22	DTXSID9044904		1.602059991	1.602059991	1.84509804	1.84509804	1.84509804	2	1.698970004	1.77815125	1.698970004	1.77815125
C2870328	2870-32-8	C.I. Direct Yellow 12	DTXSID5041728		1.602059991	1	1.903089987	1.903089987	1.903089987	2.301029996	1.77815125	1.84509804	1.77815125	1.84509804
C28804888	28804-88-8	Dimethylnaphthalene	DTXSID7025130				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C288104790	288104-79-0	Surinabant	DTXSID2047357				2	2	2	1.477121255	1.903089987	1.954242509	1.903089987	1.954242509
C288324	288-32-4	Imidazole	DTXSID2029616				2	2	2	2.301029996	1.903089987	2	1.903089987	1.954242509
C288880	288-88-0	"1H-1,2,4-Triazole"	DTXSID6027131				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C2893789	2893-78-9	Sodium dichloroisocyanurate	DTXSID3024994				2	2	2	2.301029996	1.602059991	1.698970004	1.602059991	1.954242509
C289716945	289716-94-5	CP-607366	DTXSID6047280		1.698970004		2	2	2	1.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C290352282	290352-28-2	CP-634384	DTXSID7047306		1.698970004		2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C29091212	29091-21-2	Prodiamine	DTXSID1034210				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C29122687	29122-68-7	Atenolol	DTXSID2022628				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C291305061	291305-06-1	UK-373911	DTXSID5047295				2	2	2	0.84509804	1.903089987	1.954242509	1.903089987	1.954242509
C2917739	2917-73-9	Dibutyl nonanedioate	DTXSID5044815				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C2919666	2919-66-6	Melengestrol acetate	DTXSID5048184		1.477121255	1.477121255	1.77815125	1.77815125	1.77815125	2	1.602059991	1.698970004	1.698970004	1.77815125
C2921882	2921-88-2	Chlorpyrifos	DTXSID4020458				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C29232937	29232-93-7	Pirimiphos-methyl	DTXSID0024266	1.698970004		1.698970004	2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C2934056	2934-05-6	"2,4-Diisopropylphenol"	DTXSID7042273				2	2	2	1.84509804	1.903089987	1.954242509	1.903089987	1.954242509
C29385431	29385-43-1	Tolyltriazole	DTXSID0026171				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C29387868	29387-86-8	Propylene glycol monobutyl ether	DTXSID6029755				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C29420493	29420-49-3	PFBS-K	DTXSID3037707				2	2	2	2.301029996	1.903089987	2	1.903089987	2
C2943751	2943-75-1	Triethoxyoctylsilane	DTXSID2029246			1.698970004	2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C29590429	29590-42-9	Isooctyl acrylate	DTXSID8027955				2	2	2	2.301029996	2	2	2	1.954242509
C2971360	2971-36-0	"2,2-Bis(4-hydroxyphenyl)-1,1,1-trichloroethane"	DTXSID8022325	1.698970004	1.698970004	1.698970004	2	2	2	0.602059991	1.903089987	1.954242509	1.903089987	1.954242509
C298000	298-00-0	Methyl parathion	DTXSID1020855	1.698970004	1.698970004	1.698970004	2	2	2	1	1.903089987	1.954242509	1.903089987	1.954242509
C298022	298-02-2	Phorate	DTXSID4032459				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C298044	298-04-4	Disulfoton	DTXSID0022018	1.698970004		1.698970004	1.602059991	1.602059991	1.602059991	2	1.903089987	1.954242509	1.903089987	1.602059991
C298077	298-07-7	Bis(2-ethylhexyl) phosphate	DTXSID1027134			1.698970004	2	2	2	1.84509804	1.903089987	1.954242509	1.903089987	1.954242509
C298198524	298198-52-4	SSR180711	DTXSID2047359				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C29836268	29836-26-8	Octyl beta-D-glucopyranoside	DTXSID6042234				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C298464	298-46-4	Carbamazepine	DTXSID4022731				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C2996921	2996-92-1	Trimethoxyphenylsilane	DTXSID5040700				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C300765	300-76-5	Naled	DTXSID1024209				2	2	2	0.77815125	1.903089987	1.954242509	1.903089987	1.954242509
C3025307	3025-30-7	"Ethyl (2E,4Z)-deca-2,4-dienoate"	DTXSID0041357				2	2	2	2.301029996	1.903089987	2	1.903089987	2
C3026639	3026-63-9	Sodium tridecyl sulfate	DTXSID4042418			1.698970004	2	2	2	1.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C302794	302-79-4	all-trans-Retinoic acid	DTXSID7021239	1.698970004			2	2	2	2.301029996	1.602059991	1.698970004	1.903089987	1.954242509
C3033770	3033-77-0	"N,N,N-Trimethyl(oxiran-2-yl)methanaminium chloride"	DTXSID1044643				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C30399849	30399-84-9	Isooctadecanoic acid	DTXSID2027963			1.698970004	2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C30516871	30516-87-1	3'-Azido-3'-deoxythymidine	DTXSID8020127				2	2	2	2.301029996	1.602059991	1.698970004	1.602059991	1.954242509
C30560191	30560-19-1	Acephate	DTXSID8023846	1.698970004		1.698970004	2	2	2	1.698970004	1.903089987	1.954242509	1.903089987	1.954242509
C3056175	3056-17-5	Stavudine	DTXSID1023819				2	2	2	2.301029996	1.903089987	1.698970004	1.602059991	1.954242509
C307244	307-24-4	PFHxA	DTXSID3031862		1.698970004		2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C309002	309-00-2	Aldrin	DTXSID8020040				2	2	2	1.84509804	1.903089987	1.954242509	1.903089987	1.954242509
C311455	311-45-5	Paraoxon	DTXSID6024046				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C31218834	31218-83-4	Propetamphos	DTXSID7032470				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C313994795	313994-79-5	MK-578	DTXSID0047327				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C314409	314-40-9	Bromacil	DTXSID4022020				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C3147759	3147-75-9	Octrizole	DTXSID9027522				2	2	2	2.301029996	1.602059991	1.698970004	1.903089987	1.954242509
C31519229	31519-22-9	"1,4-Dihydroxy-2-naphthoic acid"	DTXSID0037730		1.698970004		2	2	2	1.84509804	1.903089987	1.954242509	1.903089987	1.954242509
C3164850	3164-85-0	Potassium 2-ethylhexanoate	DTXSID4027525				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C3194556	3194-55-6	"1,2,5,6,9,10-Hexabromocyclododecane"	DTXSID4027527				1.954242509	1.954242509	1.954242509	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C319857	319-85-7	beta-Hexachlorocyclohexane	DTXSID7020685				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C32388559	32388-55-9	1-Cedr-8-en-9-ylethanone	DTXSID4029353				2	2	2	2.301029996	2	2	2	1.954242509
C3252435	3252-43-5	Dibromoacetonitrile	DTXSID3024940				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C3268493	3268-49-3	3-(Methylthio)propanal	DTXSID9027528				2	2	2	2.301029996	1.903089987	2	1.903089987	1.954242509
C32809168	32809-16-8	Procymidone	DTXSID9033923	1.698970004	-0.698970004	1.698970004	0	0	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C328847	328-84-7	"1,2-Dichloro-4-(trifluoromethyl)benzene"	DTXSID5027142				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C3296900	3296-90-0	"2,2-Bis(bromomethyl)-1,3-propanediol"	DTXSID9020164				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C330541	330-54-1	Diuron	DTXSID0020446		1.698970004		2	2	2	2.301029996	1.602059991	1.698970004	1.903089987	1.954242509
C330552	330-55-2	Linuron	DTXSID2024163	1.698970004	1.698970004	1.698970004	2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C33089611	33089-61-1	Amitraz	DTXSID5023871				2	2	2	0.903089987	1.903089987	1.698970004	1.602059991	1.954242509
C331623064	331623-06-4	MK-547	DTXSID4047331				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C3319311	3319-31-1	Tris(2-ethylhexyl) trimellitate	DTXSID9026265				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C33228443	33228-44-3	4-Pentylaniline	DTXSID0040707	-1	-0.698970004	1.698970004	0	0	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C33228454	33228-45-4	4-Hexylaniline	DTXSID5040708				2	2	2	1.84509804	1.903089987	1.954242509	1.903089987	1.954242509
C333415	333-41-5	Diazinon	DTXSID9020407	1.698970004		1.698970004	2	2	2	2	1.602059991	1.698970004	1.903089987	1.954242509
C3337711	3337-71-1	Asulam	DTXSID8023890				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C334485	334-48-5	Decanoic acid	DTXSID9021554				2	2	2	2.301029996	1.903089987	1.698970004	1.602059991	2
C335671	335-67-1	PFOA	DTXSID8031865	1.698970004		1.698970004	2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C335762	335-76-2	PFDA	DTXSID3031860			1.698970004	2	2	2	1.84509804	1.903089987	1.954242509	1.903089987	1.954242509
C33629479	33629-47-9	Butralin	DTXSID3032337				2	2	2	1.698970004	1.903089987	1.954242509	1.903089987	1.954242509
C33703081	33703-08-1	"Hexanedioic acid, diisononyl ester"	DTXSID5027982				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C3380345	3380-34-5	Triclosan	DTXSID5032498	1.698970004	1.698970004	1.698970004	2	2	2	1.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C33820530	33820-53-0	Isopropalin	DTXSID8024157				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C3383968	3383-96-8	Temephos	DTXSID1032484	1.698970004	1	1.698970004	2	2	2	2.301029996	1.602059991	1.698970004	1.903089987	1.954242509
C3391864	3391-86-4	1-Octen-3-ol	DTXSID3035214				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C33956499	33956-49-9	Codlelure	DTXSID1035288				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C34014181	34014-18-1	Tebuthiuron	DTXSID3024316				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C34256821	34256-82-1	Acetochlor	DTXSID8023848		1.698970004		2	2	2	0.698970004	1.84509804	1.954242509	1.84509804	1.954242509
C34451199	34451-19-9	Butyl (2S)-2-hydroxypropanoate	DTXSID4042335				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C344930956	344930-95-6	SSR69071	DTXSID1047368				1.301029996	1.301029996	1.301029996	0.77815125	1.301029996	1.301029996	1.301029996	1.301029996
C3452979	3452-97-9	"3,5,5-Trimethyl-1-hexanol"	DTXSID7029661				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C34590948	34590-94-8	Dipropylene glycol monomethyl ether	DTXSID0027983				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C349495427	349495-42-7	PharmaGSID_47263	DTXSID3047263	1.698970004			2	2	2	1.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C35256850	35256-85-0	Butam	DTXSID5041691				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C353280076	353280-07-6	CP-612372	DTXSID1047281				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C35367385	35367-38-5	Diflubenzuron	DTXSID1024049				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C35400432	35400-43-2	Sulprofos	DTXSID8032675				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C3547339	3547-33-9	2-Hydroxyethyl octyl sulfide	DTXSID6032516				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C35554440	35554-44-0	Imazalil	DTXSID8024151	1.698970004	1.698970004	1.698970004	2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C35575963	35575-96-3	Azamethiphos	DTXSID9034818				2	2	2	1.477121255	1.903089987	1.954242509	1.903089987	1.954242509
C35691657	35691-65-7	"1,2-Dibromo-2,4-dicyanobutane"	DTXSID3024944				2	2	2	1.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C361343193	361343-19-3	Elzasonan	DTXSID7047277				2	2	2	0.84509804	1.903089987	1.954242509	1.903089987	1.954242509
C361377299	361377-29-9	Fluoxastrobin	DTXSID2034625				2	2	2	1.602059991	1.903089987	1.954242509	1.903089987	1.954242509
C3622842	3622-84-2	N-Butylbenzenesulfonamide	DTXSID7027540				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C3653483	3653-48-3	MCPA-sodium	DTXSID2034700				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C36631308	36631-30-8	Triisodecyl trimellitate	DTXSID3047180				1.903089987	1.903089987	1.903089987	2.301029996	1.77815125	1.84509804	1.77815125	1.84509804
C36653824	36653-82-4	1-Hexadecanol	DTXSID4027991				2	2	2	2.301029996	1.602059991	1.698970004	1.602059991	1.954242509
C36673162	36673-16-2	Isopropyl triethanolamine titanate	DTXSID7044928				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C36734197	36734-19-7	Iprodione	DTXSID3024154	1.698970004		1.698970004	2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C3681718	3681-71-8	(3Z)-3-Hexenyl acetate	DTXSID0041484				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C368832422	368832-42-2	CP-728663	DTXSID1047283				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C3691358	3691-35-8	Chlorophacinone	DTXSID2032348		1.698970004	1.698970004	2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C3734336	3734-33-6	Denatonium benzoate	DTXSID8034376	1.698970004	1	1.698970004	2	2	2	2.301029996	1.602059991	1.698970004	1.903089987	1.954242509
C3734676	3734-67-6	C.I. Acid Red 1	DTXSID9044663				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C3739386	3739-38-6	3-Phenoxybenzoic acid	DTXSID1038321				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C375859	375-85-9	Perfluoroheptanoic acid	DTXSID1037303				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C375951	375-95-1	PFNA	DTXSID8031863	1.698970004		1.698970004	2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C37764253	37764-25-3	Dichlormid	DTXSID4027997				2	2	2	2.301029996	1.903089987	1.954242509	1.84509804	1.954242509
C3811049	3811-04-9	Potassium chlorate	DTXSID6047448				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C3811732	3811-73-2	Sodium (2-pyridylthio)-N-oxide	DTXSID3042390				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C3825261	3825-26-1	"PFOA, ammonium salt"	DTXSID8037708			1.698970004	2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C3844459	3844-45-9	FD&C Blue No. 1	DTXSID2020189		1.477121255	1.477121255	1.77815125	1.77815125	1.77815125	2	1.698970004	1.77815125	1.698970004	1.77815125
C3855321	3855-32-1	"2,6,10-Trimethyl-2,6,10-triazaundecane"	DTXSID1044564				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C3871996	3871-99-6	PFHS-K	DTXSID3037709				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C3913028	3913-02-8	2-Butyloctan-1-ol	DTXSID0044818				2	2	2	1.84509804	1.903089987	1.954242509	1.903089987	1.954242509
C39236469	39236-46-9	Imidazolidinyl urea	DTXSID2040151				2	2	2	2.301029996	1.602059991	1.698970004	1.602059991	1.954242509
C3926623	3926-62-3	Sodium chloroacetate	DTXSID1027550				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C39300453	39300-45-3	Dinocap	DTXSID3040352	1.698970004	1	1.698970004	2	2	2	1.84509804	1.903089987	1.954242509	1.903089987	1.954242509
C39515418	39515-41-8	Fenpropathrin	DTXSID0024002				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C39905572	39905-57-2	4-Hexyloxyaniline	DTXSID4022288				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C402910274	402910-27-4	UK-416244	DTXSID0047290				2	2	2	1.84509804	1.903089987	1.954242509	1.903089987	1.954242509
C40487421	40487-42-1	Pendimethalin	DTXSID7024245	1.698970004		1.698970004	2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C40649363	40649-36-3	4-Propylcyclohexanone	DTXSID9048198				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C4065456	4065-45-6	Sulisobenzone	DTXSID2042436				2	2	2	2.301029996	1.903089987	1.954242509	1.602059991	1.954242509
C4098719	4098-71-9	Isophorone diisocyanate	DTXSID0023826	1.698970004			2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C4107986	4107-98-6	"N,N-Diisopropylaniline"	DTXSID8042189				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C41198087	41198-08-7	Profenofos	DTXSID3032464			1.698970004	1.698970004	1.698970004	1.698970004	1	1.602059991	1.698970004	1.602059991	1.698970004
C4130421	4130-42-1	"2,6-Di-tert-butyl-4-ethylphenol"	DTXSID0029262		1.698970004		2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C41372081	41372-08-1	Methyldopa sesquihydrate	DTXSID5020863				2	2	2	2.301029996	1.903089987	1.954242509	1.602059991	1.954242509
C41372207	41372-20-7	Apomorphine hydrochloride hydrate	DTXSID0048185				1.602059991	1.602059991	1.602059991	1.903089987	1.477121255	1.954242509	1.903089987	1.602059991
C41481667	41481-66-7	"4,4'-Sulfonylbis[2-(prop-2-en-1-yl)phenol]"	DTXSID9047598	1.698970004	1.698970004	1.698970004	2	2	2	1.84509804	1.903089987	1.954242509	1.903089987	1.954242509
C4151502	4151-50-2	Sulfluramid	DTXSID1032646				2	2	2	2.301029996	1.84509804	1.954242509	1.84509804	1.954242509
C4180238	4180-23-8	(E)-Anethole	DTXSID9020087				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C420042	420-04-2	Cyanamide	DTXSID9034490				2	2	2	2	1.602059991	1.698970004	1.602059991	2.477121255
C42509808	42509-80-8	Isazofos	DTXSID7034676				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C427510	427-51-0	Cyproterone acetate	DTXSID5020366	1.698970004	1.698970004	1.698970004	2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C42874033	42874-03-3	Oxyfluorfen	DTXSID7024241				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C4291638	4291-63-8	Cladribine	DTXSID8022828				2	2	2	2.301029996	1.903089987	1.698970004	1.903089987	1.954242509
C43121433	43121-43-3	Triadimefon	DTXSID3023897	1.698970004	1.698970004	1.698970004	2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C43222486	43222-48-6	Difenzoquat metilsulfate	DTXSID6024048				2	2	2	1.477121255	1.903089987	1.954242509	1.903089987	1.954242509
C4342363	4342-36-3	Tributyltin benzoate	DTXSID5034981		1.698970004	1.698970004	2	2	2	-0.522878745	1.903089987	1.954242509	1.903089987	1.954242509
C4344552	4344-55-2	4-Butyloxyaniline	DTXSID4048199				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C4376185	4376-18-5	Monomethyl phthalate	DTXSID9040001	1.698970004		1.698970004	2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C4376209	4376-20-9	MEHP	DTXSID2025680	1.698970004		1.698970004	2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C439687691	439687-69-1	Nelivaptan	DTXSID7047358		1.698970004		2	2	2	1.84509804	1.903089987	1.954242509	1.903089987	1.954242509
C4418262	4418-26-2	Sodium dehydroacetate	DTXSID7026029				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C4437858	4437-85-8	Butylene carbonate	DTXSID9040342				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C444610917	444610-91-7	PharmaGSID_47315	DTXSID6047315		1.698970004	1.698970004	2	2	2	1.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C4449518	4449-51-8	Cyclopamine	DTXSID6043709				1.698970004	1.698970004	1.698970004	2	1.602059991	1.698970004	1.602059991	1.698970004
C445295045	445295-04-5	CP-671305	DTXSID6047282				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C4455269	4455-26-9	N-Methyldioctylamine	DTXSID9042209				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C446720	446-72-0	Genistein	DTXSID5022308	-1	-0.698970004	1.698970004	0	0	2	2.301029996	1.602059991	1.954242509	1.903089987	1.954242509
C4468422	4468-42-2	3-Phenylhexane	DTXSID4041492				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C446866	446-86-6	Azathioprine	DTXSID4020119				2	2	2	2.301029996	1.903089987	1.698970004	1.602059991	1.698970004
C451401	451-40-1	"1,2-Diphenylethanone"	DTXSID6044430				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C4548532	4548-53-2	FD&C Red 4	DTXSID2021234				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C4553622	4553-62-2	2-Methylpentanedinitrile	DTXSID4025612				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C4574043	4574-04-3	"Myristyltrimethylammonium chlorideN,N,N-Trimethyltetradecan-1-aminium chloride"	DTXSID9041289		1.602059991	1.602059991	1.954242509	1.954242509	1.954242509	2.301029996	1.84509804	1.903089987	1.84509804	1.903089987
C460004	460-00-4	1-Bromo-4-fluorobenzene	DTXSID4027153				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C460081996	460081-99-6	PharmaGSID_48510	DTXSID9048510	1.698970004	1.698970004	1.698970004	2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C4602840	4602-84-0	Farnesol	DTXSID3032389		1.698970004		2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C461023632	461023-63-2	Aplaviroc hydrochloride	DTXSID1047316				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C461585	461-58-5	Cyanoguanidine	DTXSID1020354				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C463401	463-40-1	Linolenic acid	DTXSID7025506			1.698970004	2	2	2	2.301029996	1.602059991	1.954242509	1.903089987	1.954242509
C4638486	4638-48-6	5-Chlorosalicylanilide	DTXSID9037749				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C464493	464-49-3	D-Camphor	DTXSID4024721				2	2	2	2.301029996	1.602059991	1.698970004	1.602059991	1.954242509
C4707475	4707-47-5	"Methyl 2,4-dihydroxy-3,6-dimethylbenzoate"	DTXSID9041653		1.698970004		2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C470826	470-82-6	"1,8-Cineol"	DTXSID4020616				2	2	2	2.301029996	1.602059991	1.698970004	1.602059991	1.954242509
C4712554	4712-55-4	Diphenyl phosphite	DTXSID7041889				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C473289622	473289-62-2	Ilepatril	DTXSID7047356				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C474862	474-86-2	Equilin	DTXSID7047433	1.698970004	1.698970004	1.698970004	2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C478149530	478149-53-0	PHA-00543613	DTXSID6047284				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C478263988	478263-98-8	AVE3295	DTXSID5047372				2	2	2	2.301029996	1.84509804	1.954242509	1.84509804	1.954242509
C480400	480-40-0	Chrysin	DTXSID1022396				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C480637	480-63-7	"2,4,6-Trimethylbenzoic acid"	DTXSID6048200				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C484173	484-17-3	9-Phenanthrol	DTXSID9047592	1.698970004	1.698970004	1.698970004	2	2	2	0.84509804	1.903089987	1.954242509	1.903089987	1.954242509
C486566	486-56-6	Cotinine	DTXSID1047576				2	2	2	2.301029996	1.84509804	1.698970004	1.84509804	1.954242509
C486668	486-66-8	Daidzein	DTXSID9022310			1.698970004	2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C487069	487-06-9	"5,7-Dimethoxy-2H-chromen-2-one"	DTXSID1041421				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C489010	489-01-0	"2,6-Di-tert-butyl-4-methoxyphenol"	DTXSID8041379				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C4904614	4904-61-4	"1,5,9-Cyclododecatriene"	DTXSID8027581				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C491805	491-80-5	Biochanin A	DTXSID1022394				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C493527	493-52-7	Methyl red	DTXSID1042154		1.698970004		2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C4940118	4940-11-8	2-Ethyl-3-hydroxy-4H-pyran-4-one	DTXSID5041516				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C49562289	49562-28-9	Fenofibrate	DTXSID2029874				2	2	2	2.301029996	1.602059991	1.698970004	1.903089987	1.698970004
C496468	496-46-8	Glycoluril	DTXSID6031380				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C496720	496-72-0	"3,4-Diaminotoluene"	DTXSID9024930				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C499752	499-75-2	Isopropyl-o-cresol	DTXSID6042074		1.698970004		2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C499832	499-83-2	"2,6-Pyridinedicarboxylic acid"	DTXSID7022043				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C500389	500-38-9	Nordihydroguaiaretic acid	DTXSID5022437			1.698970004	2	2	2	1.84509804	1.903089987	1.954242509	1.903089987	1.954242509
C501027492	501027-49-2	PD-0333941	DTXSID2047307				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C50146	50-14-6	Ergocalciferol	DTXSID5020233		1.698970004		2	2	2	2.301029996	1.602059991	1.698970004	1.903089987	1.954242509
C50215	50-21-5	Lactic acid	DTXSID7023192				2	2	2	2.301029996	1.602059991	1.954242509	1.602059991	1.954242509
C50226	50-22-6	Corticosterone	DTXSID6022474	1.698970004	1.698970004	1.698970004	2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C50271	50-27-1	Estriol	DTXSID9022366	1.698970004	1	1.698970004	2	2	2	2.301029996	1.602059991	1.698970004	1.903089987	1.698970004
C50282	50-28-2	17beta-Estradiol	DTXSID0020573	-1	-0.698970004	1.698970004	0	0	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C50293	50-29-3	"p,p'-DDT"	DTXSID4020375				2	2	2	2.301029996	1.602059991	1.698970004	1.602059991	1.698970004
C50351	50-35-1	Thalidomide	DTXSID9022524				2	2	2	2.301029996	1.602059991	1.698970004	1.602059991	1.954242509
C50419	50-41-9	Clomiphene citrate (1:1)	DTXSID8020337	1.602059991	1.602059991	1.602059991	1.903089987	1.903089987	1.903089987	1.301029996	1.77815125	1.903089987	1.77815125	1.903089987
C50471448	50471-44-8	Vinclozolin	DTXSID4022361	1.698970004	1.698970004	1.698970004	2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C50555	50-55-5	Reserpine	DTXSID7021237		1.602059991		1.903089987	1.903089987	1.903089987	2.301029996	1.602059991	1.698970004	1.77815125	1.903089987
C50594666	50594-66-6	Acifluorfen	DTXSID0020022				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C50657	50-65-7	Niclosamide	DTXSID7040362				1.698970004	1.698970004	1.698970004	0	1.602059991	1.954242509	1.903089987	1.301029996
C50704	50-70-4	D-Glucitol	DTXSID5023588				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C50782	50-78-2	Aspirin	DTXSID5020108				2	2	2	2.301029996	1.602059991	1.698970004	1.903089987	1.954242509
C50817	50-81-7	L-Ascorbic acid	DTXSID5020106				2	2	2	2.301029996	1.602059991	1.698970004	1.602059991	1.954242509
C50892234	50892-23-4	Pirinixic acid	DTXSID4020290				2	2	2	2.301029996	1.602059991	1.698970004	1.77815125	1.84509804
C510156	510-15-6	Chlorobenzilate	DTXSID9020299	1.698970004	1.698970004		2	2	2	1.84509804	1.903089987	1.954242509	1.903089987	1.954242509
C51036	51-03-6	Piperonyl butoxide	DTXSID1021166	1.698970004		1.698970004	2	2	2	2	1.602059991	1.698970004	1.602059991	1.698970004
C51058	51-05-8	Procaine hydrochloride	DTXSID1044435				1.954242509	1.954242509	1.954242509	2.301029996	1.301029996	1.301029996	1.301029996	1.903089987
C5116949	5116-94-9	Monotridecyl phosphate	DTXSID0042169			1.698970004	2	2	2	1.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C51218	51-21-8	5-Fluorouracil	DTXSID2020634				2	2	2	2.301029996	1.903089987	1.698970004	1.602059991	1.954242509
C51218452	51218-45-2	Metolachlor	DTXSID4022448	1.698970004		1.698970004	2	2	2	2	1.84509804	1.954242509	1.903089987	1.954242509
C51229788	51229-78-8	Chloroallyl methenamine chloride	DTXSID0035748	1.698970004	0.954242509	1.698970004	2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C51235042	51235-04-2	Hexazinone	DTXSID4024145				2	2	2	2	1.903089987	2	1.903089987	1.954242509
C51241	51-24-1	Tiratricol	DTXSID2045232			1.698970004	2	2	2	2.301029996	1.301029996	1.301029996	1.903089987	1.954242509
C512425	512-42-5	Sodium methyl sulfate	DTXSID0042406				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C512561	512-56-1	Trimethyl phosphate	DTXSID1021403				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C51285	51-28-5	"2,4-Dinitrophenol"	DTXSID0020523				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C51309	51-30-9	Isoproterenol hydrochloride	DTXSID6025486		1.698970004		2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C51338273	51338-27-3	Diclofop-methyl	DTXSID0032605			1.698970004	2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C5137553	5137-55-3	Methyltrioctylammonium chloride	DTXSID1044487		1.698970004	1.698970004	2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C5138181	5138-18-1	Sulfosuccinic acid	DTXSID8042426				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C5146667	5146-66-7	"3,7-Dimethyl-2,6-octadienenitrile"	DTXSID3036286				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C51525	51-52-5	6-Propyl-2-thiouracil	DTXSID5021209				2	2	2	2.301029996	1.602059991	1.698970004	1.903089987	1.954242509
C5153253	5153-25-3	2-Ethylhexylparaben	DTXSID4022525			1.698970004	2	2	2	1.84509804	1.903089987	1.954242509	1.903089987	1.954242509
C51580860	51580-86-0	Sodium dichloro-s-triazinetrione dihydrate	DTXSID0029761				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C51630581	51630-58-1	Fenvalerate	DTXSID3020621				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C51632167	51632-16-7	1-(Bromomethyl)-3-phenoxybenzene	DTXSID6028022		1.698970004		2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C51707552	51707-55-2	Thidiazuron	DTXSID0032651				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C51796	51-79-6	Urethane	DTXSID9021427				2	2	2	2.301029996	1.602059991	1.698970004	1.903089987	1.954242509
C52017	52-01-7	Spironolactone	DTXSID6034186	1.698970004	-0.698970004	1.698970004	0	0	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C520183	520-18-3	Kaempferol	DTXSID7020768				1.84509804	1.84509804	1.84509804	2	1.903089987	1.954242509	1.698970004	1.77815125
C520365	520-36-5	Apigenin	DTXSID6022391		1.698970004		2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C520456	520-45-6	Dehydroacetic acid	DTXSID6020014				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C521186	521-18-6	5alpha-Dihydrotestosterone	DTXSID9022364	-1.045757491	1.602059991	-1.045757491	0	0	1.954242509	2.301029996	1.903089987	1.698970004	1.903089987	1.77815125
C5216251	5216-25-1	4-Chlorobenzotrichloride	DTXSID2027593				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C52225204	52225-20-4	dl-alpha-Tocopheryl acetate	DTXSID3021356				2	2	2	2.301029996	1.602059991	1.954242509	1.602059991	1.954242509
C52315078	52315-07-8	Cypermethrin	DTXSID1023998	1.698970004		1.698970004	2	2	2	2	1.602059991	1.698970004	1.602059991	1.698970004
C5234684	5234-68-4	Carboxin	DTXSID0023951				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C52517	52-51-7	Bronopol	DTXSID8024652				2	2	2	2.301029996	1.903089987	1.698970004	1.903089987	1.954242509
C525791	525-79-1	Kinetin	DTXSID9035175				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C525826	525-82-6	Flavone	DTXSID2022048				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C52645531	52645-53-1	Permethrin	DTXSID8022292	1.698970004		1.698970004	2	2	2	2	1.602059991	1.954242509	1.602059991	1.954242509
C526750	526-75-0	"2,3-Dimethylphenol"	DTXSID6025143				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C52686	52-68-6	Trichlorfon	DTXSID0021389				2	2	2	2	1.903089987	1.698970004	1.602059991	1.954242509
C527606	527-60-6	"2,4,6-Trimethylphenol"	DTXSID7022049				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C527680564	527680-56-4	PHA-00568487	DTXSID1047285				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C52806538	52806-53-8	Hydroxyflutamide	DTXSID8033562	1.602059991	1.301029996	1.602059991	1.903089987	1.903089987	1.903089987	2.301029996	1.903089987	1.954242509	1.77815125	1.954242509
C528290	528-29-0	"1,2-Dinitrobenzene"	DTXSID4024066		1.698970004		2	2	2	1.84509804	1.903089987	1.954242509	1.903089987	1.954242509
C52868	52-86-8	Haloperidol	DTXSID4034150				2	2	2	1.84509804	1.602059991	1.698970004	1.602059991	1.954242509
C52918635	52918-63-5	Deltamethrin	DTXSID8020381				2	2	2	2.301029996	1.903089987	2	1.903089987	1.954242509
C53032	53-03-2	Prednisone	DTXSID4021185	1.698970004	1.698970004		2	2	2	2.301029996	1.903089987	1.698970004	1.903089987	1.954242509
C53112280	53112-28-0	Pyrimethanil	DTXSID8034877				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C5315797	5315-79-7	1-Hydroxypyrene	DTXSID1038298		1.698970004		2	2	2	1.84509804	1.903089987	1.954242509	1.903089987	1.954242509
C53167	53-16-7	Estrone	DTXSID4022367	1.698970004	1.698970004	1.698970004	2	2	2	2.301029996	1.602059991	1.954242509	1.903089987	1.698970004
C53190	53-19-0	"o,p'-DDD"	DTXSID9020372				2	2	2	2.301029996	1.602059991	1.698970004	1.903089987	1.698970004
C532025	532-02-5	Sodium 2-naphthalenesulfonate	DTXSID4041442				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C53219219	53219-21-9	Dihydromyrcenol	DTXSID6041557				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C532274	532-27-4	2-Chloroacetophenone	DTXSID9020293				2	2	2	1.84509804	1.903089987	1.954242509	1.903089987	1.954242509
C532321	532-32-1	Sodium benzoate	DTXSID1020140				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C5329146	5329-14-6	Sulfamic acid	DTXSID6034005				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C533233	533-23-3	"2,4-D-ethyl ester"	DTXSID1041346				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C5333426	5333-42-6	2-Octyl-1-dodecanol	DTXSID3036288				2	2	2	2.301029996	1.602059991	1.954242509	1.602059991	1.954242509
C533744	533-74-4	Dazomet	DTXSID7024902				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C534134	534-13-4	"N,N'-Dimethylthiourea"	DTXSID2042191				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C53430	53-43-0	Dehydroepiandrosterone	DTXSID4020379		1.698970004	1.698970004	2	2	2	2.301029996	1.602059991	1.954242509	1.903089987	1.698970004
C534521	534-52-1	"2-Methyl-4,6-dinitrophenol"	DTXSID1022053			1.698970004	2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C5349519	5349-51-9	4-(2-Methylbutan-2-yl)cyclohexanol	DTXSID9040716		1.698970004	1.698970004	2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C53703	53-70-3	"Dibenz(a,h)anthracene"	DTXSID9020409		1.602059991		1.954242509	1.954242509	1.954242509	2.301029996	1.602059991	1.903089987	1.602059991	1.903089987
C53861	53-86-1	Indomethacin	DTXSID9020740				2	2	2	2.301029996	1.602059991	1.954242509	1.903089987	1.954242509
C53894238	53894-23-8	Triisononyl trimellitate	DTXSID5028033				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C5392405	5392-40-5	"3,7-Dimethyl-2,6-octadienal"	DTXSID6024836	1.698970004			2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C53939289	53939-28-9	(Z)-11-Hexadecenal	DTXSID1032303				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C5394365	5394-36-5	5-Ethyl-5-methylhydantoin	DTXSID9041368				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C540181	540-18-1	Pentyl butyrate	DTXSID4041604				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C5407987	5407-98-7	Cyclobutyl phenyl ketone	DTXSID1048201				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C540885	540-88-5	tert-Butyl acetate	DTXSID1022055				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C541026	541-02-6	Decamethylcyclopentasiloxane	DTXSID1027184		1.698970004		2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C54115	54-11-5	Nicotine	DTXSID1020930				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C541731	541-73-1	"1,3-Dichlorobenzene"	DTXSID6022056				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C542927	542-92-7	"1,3-Cyclopentadiene"	DTXSID0027191				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C5437456	5437-45-6	Benzyl bromoacetate	DTXSID4040343				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C544638	544-63-8	Tetradecanoic acid	DTXSID6021666				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C544763	544-76-3	Hexadecane	DTXSID0027195				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C54593838	54593-83-8	Chlorethoxyfos	DTXSID2032344				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C54626	54-62-6	4-Aminofolic acid	DTXSID3022588				2	2	2	2.301029996	1.602059991	1.698970004	1.84509804	1.954242509
C54853	54-85-3	Isoniazid	DTXSID8020755				1.602059991	1.602059991	1.602059991	1.954242509	1.477121255	1.698970004	1.903089987	1.602059991
C548629	548-62-9	Gentian Violet	DTXSID5020653		1.698970004	1.698970004	2	2	2	1.301029996	1.602059991	1.698970004	1.903089987	1.698970004
C54965241	54965-24-1	Tamoxifen citrate	DTXSID8021301		1.698970004		1.954242509	1.954242509	1.954242509	1.301029996	1.903089987	1.698970004	1.84509804	1.954242509
C550447	550-44-7	N-Methylphthalimide	DTXSID5027198				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C55185	55-18-5	N-Nitrosodiethylamine	DTXSID2021028				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C55219653	55219-65-3	Triadimenol	DTXSID0032493	1.698970004	1.698970004	1.698970004	2	2	2	1.698970004	1.903089987	1.954242509	1.903089987	1.954242509
C552307	552-30-7	Trimellitic anhydride	DTXSID7026235				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C55283686	55283-68-6	Ethalfluralin	DTXSID8032386	1.698970004	1.698970004		2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C55285148	55285-14-8	Carbosulfan	DTXSID5023950				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C55290647	55290-64-7	Dimethipin	DTXSID0024052				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C553264	553-26-4	"4,4'-Bipyridine"	DTXSID2027200				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C55335063	55335-06-3	Triclopyr	DTXSID0032497				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C5536618	5536-61-8	Sodium methacrylate	DTXSID9044823				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C553708	553-70-8	Magnesium dibenzoate	DTXSID1044693				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C55389	55-38-9	Fenthion	DTXSID8020620	1.698970004			2	2	2	1.903089987	1.903089987	1.698970004	1.602059991	1.698970004
C55406536	55406-53-6	3-Iodo-2-propynyl-N-butylcarbamate	DTXSID0028038				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C55512339	55512-33-9	Pyridate	DTXSID2032639				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C55589623	55589-62-3	Acesulfame potassium	DTXSID1030606				2	2	2	2.301029996	1.602059991	1.698970004	1.903089987	1.954242509
C556525	556-52-5	Glycidol	DTXSID4020666				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C556616	556-61-6	Methyl isothiocyanate	DTXSID2027204	1.698970004		1.698970004	2	2	2	2	2	1.954242509	1.903089987	2.301029996
C556672	556-67-2	Octamethylcyclotetrasiloxane	DTXSID7027205				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C55814410	55814-41-0	Mepronil	DTXSID1037565		1.698970004		2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C55934935	55934-93-5	Tripropylene glycol butyl ether	DTXSID8042503				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C55981	55-98-1	Busulfan	DTXSID3020910				2	2	2	2.301029996	1.602059991	1.954242509	1.602059991	1.954242509
C5598130	5598-13-0	Chlorpyrifos-methyl	DTXSID6032352				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C5598152	5598-15-2	Chlorpyrifos oxon	DTXSID1038666				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C56042	56-04-2	6-Methyl-2-thiouracil	DTXSID2020890				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C563122	563-12-2	Ethion	DTXSID2024086	1.698970004			2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C56375792	56375-79-2	"N,N-Dibutyl-N-methylbutan-1-aminium chloride"	DTXSID5044443				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C56382	56-38-2	Parathion	DTXSID7021100	1.698970004		1.698970004	1.698970004	1.698970004	1.698970004	2	1.903089987	1.954242509	1.602059991	1.698970004
C56531	56-53-1	Diethylstilbestrol	DTXSID3020465	1.698970004	1.698970004	1.698970004	2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C56553	56-55-3	Benz(a)anthracene	DTXSID5023902	1.698970004		1.698970004	2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C56724	56-72-4	Coumaphos	DTXSID2020347	1.698970004			2	2	2	2	1.602059991	1.698970004	1.903089987	1.954242509
C56815	56-81-5	Glycerol	DTXSID9020663				2	2	2	2.301029996	1.903089987	1.698970004	1.903089987	1.954242509
C56951	56-95-1	Chlorhexidine diacetate	DTXSID7032345		1.698970004	1.698970004	1.954242509	1.954242509	1.954242509	2.301029996	1.84509804	1.903089987	1.84509804	1.903089987
C5700492	5700-49-2	"1,2-Ethanediamine dihydriodide"	DTXSID5044570				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C57067	57-06-7	Allyl isothiocyanate	DTXSID3020047				2	2	2	2.301029996	1.602059991	1.698970004	1.602059991	1.954242509
C57090	57-09-0	Hexadecyltrimethylammonium bromide	DTXSID5037028				2	2	2	2.301029996	1.903089987	1.698970004	1.903089987	1.698970004
C57103	57-10-3	Hexadecanoic acid	DTXSID2021602				2	2	2	2.301029996	1.903089987	1.698970004	1.903089987	1.954242509
C57114	57-11-4	Octadecanoic acid	DTXSID8021642				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C57136	57-13-6	Urea	DTXSID4021426	1.698970004			2	2	2	2.301029996	1.903089987	1.698970004	1.602059991	2
C57147	57-14-7	"1,1-Dimethylhydrazine"	DTXSID1020516				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C571584	571-58-4	"1,4-Dimethylnaphthalene"	DTXSID8035423				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C57307	57-30-7	Phenobarbital sodium	DTXSID0021123				2	2	2	2.301029996	1.84509804	1.954242509	1.84509804	1.954242509
C57410	57-41-0	"5,5-Diphenylhydantoin"	DTXSID8020541				2	2	2	2.301029996	1.602059991	1.698970004	1.602059991	1.954242509
C57501	57-50-1	Sucrose	DTXSID2021288				2	2	2	2.301029996	1.602059991	1.698970004	1.602059991	1.954242509
C57556	57-55-6	"1,2-Propylene glycol"	DTXSID0021206				2	2	2	2.301029996	1.84509804	1.698970004	1.602059991	1.954242509
C576261	576-26-1	"2,6-Dimethylphenol"	DTXSID9024063				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C57636	57-63-6	17alpha-Ethinylestradiol	DTXSID5020576	-1	1.698970004	1.698970004	2	0	2	2.301029996	1.903089987	1.698970004	1.903089987	1.954242509
C577117	577-11-7	Docusate sodium	DTXSID8022959		1.698970004	1.698970004	2	2	2	1.301029996	1.602059991	1.698970004	1.602059991	1.954242509
C57749	57-74-9	Chlordane	DTXSID7020267				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C57754855	57754-85-5	Clopyralid-olamine	DTXSID6034265				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C57830	57-83-0	Progesterone	DTXSID3022370	-1	1.698970004	1.698970004	0	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C57837191	57837-19-1	Metalaxyl	DTXSID6024175	1.698970004		1.698970004	2	2	2	2	1.602059991	1.698970004	1.602059991	1.954242509
C57852	57-85-2	Testosterone propionate	DTXSID9036515	1.698970004	1.698970004	1.698970004	0	0	2	2.301029996	1.301029996	1.301029996	1.903089987	1.954242509
C57910	57-91-0	17alpha-Estradiol	DTXSID8022377	1.698970004	1.698970004	1.698970004	0	0	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C579668	579-66-8	"2,6-Diethylaniline"	DTXSID6027218				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C57966957	57966-95-7	Cymoxanil	DTXSID6032358	1.698970004			2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C57976	57-97-6	"7,12-Dimethylbenz(a)anthracene"	DTXSID1020510		1.698970004		2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C58082	58-08-2	Caffeine	DTXSID0020232				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C58140	58-14-0	Pyrimethamine	DTXSID9021217				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C58184	58-18-4	17-Methyltestosterone	DTXSID1033664	-1.045757491	-0.698970004	-1.045757491	0	0	1.954242509	2.301029996	1.903089987	1.698970004	1.602059991	1.903089987
C583788	583-78-8	"2,5-Dichlorophenol"	DTXSID7025003				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C58394642	58394-64-2	Benzyloctyl adipate	DTXSID1047528		1.698970004		2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C584134	584-13-4	"4-Amino-1,2,4-triazole"	DTXSID9033058				2	2	2	2.301029996	1.84509804	1.954242509	1.84509804	1.954242509
C58430947	58430-94-7	"3,5,5-Trimethylhexyl acetate"	DTXSID0041270				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C584792	584-79-2	Allethrin	DTXSID8035180		1.698970004		2	2	2	2	1.903089987	2	1.903089987	2
C584849	584-84-9	"Toluene-2,4-diisocyanate"	DTXSID7026156				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C5850862	5850-86-2	"C.I. Acid Orange 8, monosodium salt"	DTXSID2041709			1.301029996	2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C585342	585-34-2	3-tert-Butylphenol	DTXSID9044825		1.698970004		2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C58559	58-55-9	Theophylline	DTXSID5021336				2	2	2	2.301029996	1.602059991	1.698970004	1.903089987	1.954242509
C58560	58-56-0	Pyridoxine hydrochloride	DTXSID1040792				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C586629	586-62-9	Terpinolene	DTXSID0027222		1.698970004		2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C5870939	5870-93-9	Heptyl butanoate	DTXSID0042038				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C58720	58-72-0	Triphenylethylene	DTXSID3022320				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C587655	587-65-5	2-Chloro-N-phenylacetamide	DTXSID3041409		1.698970004		2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C5877429	5877-42-9	4-Ethyloct-1-yn-3-ol	DTXSID1044697				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C587859	587-85-9	Diphenylmercury(II)	DTXSID3042130				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C58846778	58846-77-8	Decyl beta-D-glucopyranoside	DTXSID2041208		1.698970004		2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C58855	58-85-5	Biotin	DTXSID7022679				2	2	2	2.301029996	1.602059991	1.954242509	1.602059991	1.954242509
C58866	58-86-6	D-Xylose	DTXSID0023745				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C588941451	588941-45-1	PharmaGSID_48506	DTXSID5048506	1.698970004	1.698970004	1.698970004	2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C58899	58-89-9	Lindane	DTXSID2020686				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C58935	58-93-5	Hydrochlorothiazide	DTXSID2020713				2	2	2	2.301029996	1.602059991	1.698970004	1.602059991	1.954242509
C589684	589-68-4	"Tetradecanoic acid, 2,3-dihydroxypropyl ester"	DTXSID0042454				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C5902512	5902-51-2	Terbacil	DTXSID8024317				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C59052	59-05-2	Methotrexate	DTXSID4020822	1.698970004	1.698970004	1.698970004	2	2	2	2.301029996	1.602059991	1.698970004	1.602059991	1.954242509
C5915413	5915-41-3	Terbuthylazine	DTXSID4027608				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C59227893	59227-89-3	Laurocapram	DTXSID0042086				2	2	2	1.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C59303	59-30-3	Folic acid	DTXSID0022519		1.698970004		2	2	2	2.301029996	1.602059991	1.954242509	1.602059991	1.954242509
C59405	59-40-5	Sulfaquinoxaline	DTXSID8042424				2	2	2	2.301029996	1.602059991	1.698970004	1.602059991	1.954242509
C594207	594-20-7	"2,2-Dichloropropane"	DTXSID7030060				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C59507	59-50-7	4-Chloro-3-methylphenol	DTXSID4021717				2	2	2	2.301029996	1.602059991	1.954242509	1.602059991	1.954242509
C59669260	59669-26-0	Thiodicarb	DTXSID0032578				2	2	2	0.903089987	1.903089987	1.954242509	1.903089987	1.954242509
C59676	59-67-6	Nicotinic acid	DTXSID1020932				2	2	2	2.301029996	1.602059991	1.698970004	1.602059991	1.954242509
C59756604	59756-60-4	Fluridone	DTXSID8024107				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C598550	598-55-0	Methyl carbamate	DTXSID8020834			1.698970004	2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C59870	59-87-0	Nitrofurazone	DTXSID5020944	1.698970004			2	2	2	2.301029996	1.602059991	1.698970004	1.602059991	1.954242509
C599644	599-64-4	4-Cumylphenol	DTXSID3022536	1.698970004	1.698970004	1.698970004	2	2	2	1.84509804	1.903089987	1.954242509	1.903089987	1.954242509
C599791	599-79-1	Sulfasalazine	DTXSID0021256	1.698970004	1.698970004		2	2	2	2.301029996	1.602059991	1.698970004	1.602059991	1.954242509
C60093	60-09-3	4-Aminoazobenzene	DTXSID6024460				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C60128	60-12-8	2-Phenylethanol	DTXSID9026342				2	2	2	2.301029996	1.903089987	1.698970004	1.602059991	1.954242509
C60168889	60168-88-9	Fenarimol	DTXSID2032390		1.698970004		2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C602017	602-01-7	"2,3-Dinitrotoluene"	DTXSID4027236		1.602059991		1.84509804	1.84509804	1.84509804	2	1.903089987	1.954242509	1.903089987	1.84509804
C60207901	60207-90-1	Propiconazole	DTXSID8024280	1.698970004	1.698970004	1.698970004	2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C60333	60-33-3	Linoleic acid	DTXSID2025505		1.698970004	1.698970004	2	2	2	2.301029996	1.602059991	1.954242509	1.602059991	1.954242509
C603350	603-35-0	Triphenylphosphine	DTXSID5026251				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C60355	60-35-5	Acetamide	DTXSID7020005				2	2	2	2.301029996	2.301029996	2.301029996	2.301029996	2.301029996
C604751	604-75-1	Oxazepam	DTXSID1021087		1.602059991		1.954242509	1.954242509	1.954242509	2.301029996	1.602059991	1.903089987	1.84509804	1.903089987
C60515	60-51-5	Dimethoate	DTXSID7020479	1.698970004		1.698970004	2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C605458	605-45-8	Diisopropyl phthalate	DTXSID2040731				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C60548	60-54-8	Tetracycline	DTXSID7023645		1.698970004	1.698970004	2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C6055192	6055-19-2	Cyclophosphamide monohydrate	DTXSID6024888				2	2	2	2.301029996	1.602059991	1.698970004	1.602059991	1.954242509
C60560	60-56-0	Methimazole	DTXSID4020820				2	2	2	2.301029996	1.301029996	1.301029996	1.301029996	1.954242509
C60571	60-57-1	Dieldrin	DTXSID9020453				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C606202	606-20-2	"2,6-Dinitrotoluene"	DTXSID5020528		1.698970004		2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C6088513	6088-51-3	6-Hydroxy-2-naphthyl disulfide	DTXSID7025429		1.698970004		2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C609541	609-54-1	"2,5-Dimethylbenzenesulfonic acid"	DTXSID5041641				1.954242509	1.954242509	1.954242509	2.301029996	1.84509804	1.903089987	1.84509804	1.903089987
C611201	611-20-1	2-Hydroxybenzonitrile	DTXSID3041661				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C611701	611-70-1	Isopropyl phenyl ketone	DTXSID6048202				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C612828	612-82-8	"3,3'-Dimethylbenzidine dihydrochloride"	DTXSID6020511		1.698970004		2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C614459	614-45-9	tert-Butyl perbenzoate	DTXSID9024699				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C6149037	6149-03-7	Sodium 4-octylbenzenesulfonate	DTXSID9047594			1.698970004	2	2	2	1.84509804	1.903089987	1.954242509	1.903089987	1.954242509
C6152336	6152-33-6	Sodium 2-phenylphenate tetrahydrate	DTXSID1040794		1.698970004	1.698970004	2	2	2	2.301029996	1.602059991	1.698970004	1.602059991	1.698970004
C6153646	6153-64-6	Oxytetracycline dihydrate	DTXSID4023412		1.698970004		2	2	2	2	1.602059991	1.954242509	1.602059991	1.954242509
C616455	616-45-5	2-Pyrrolidinone	DTXSID8027246				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C61734	61-73-4	Methylene blue	DTXSID0023296		1.698970004		2	2	2	2.301029996	1.903089987	1.698970004	1.903089987	1.698970004
C61791126	61791-12-6	Cremophor EL	DTXSID2047696				1.698970004	1.698970004	1.698970004	2	1.602059991	1.698970004	1.602059991	1.698970004
C61825	61-82-5	Amitrole	DTXSID0020076				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C618451	618-45-1	3-Isopropylphenol	DTXSID0044571				2	2	2	2.301029996	1.903089987	2	1.903089987	2
C6190654	6190-65-4	Deethylatrazine	DTXSID5037494				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C620177	620-17-7	3-Ethylphenol	DTXSID0022480				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C621647	621-64-7	N-Nitrosodipropylamine	DTXSID6021032				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C62237	62-23-7	4-Nitrobenzoic acid	DTXSID3020966				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C622979	622-97-9	4-Methylstyrene	DTXSID3020889				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C62384	62-38-4	Phenylmercuric acetate	DTXSID7021150	1.698970004	1.698970004		2	2	2	1.301029996	1.602059991	1.698970004	1.903089987	1.954242509
C625114412	625114-41-2	Piragliatin	DTXSID3048520			1.698970004	2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C625558	625-55-8	Isopropyl formate	DTXSID2027258				2	2	2	2.301029996	1.903089987	2	1.903089987	1.954242509
C62566	62-56-6	Thiourea	DTXSID9021348				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C6259763	6259-76-3	Hexyl salicylate	DTXSID4038924				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C626437	626-43-7	"3,5-Dichloroaniline"	DTXSID7030307				2	2	2	2.301029996	1.84509804	1.954242509	1.84509804	1.954242509
C627189	627-18-9	3-Bromo-1-propanol	DTXSID3024657				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C62737	62-73-7	Dichlorvos	DTXSID5020449	1.698970004		1.698970004	1.698970004	1.698970004	1.698970004	2	1.602059991	1.698970004	1.903089987	1.698970004
C62748	62-74-8	Sodium fluoroacetate	DTXSID8024311		1.698970004		2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C62759	62-75-9	N-Nitrosodimethylamine	DTXSID7021029				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C627930	627-93-0	Dimethyl adipate	DTXSID8025096				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C6285058	6285-05-8	Ethyl 4-chlorophenyl ketone	DTXSID1048203				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C628637	628-63-7	Pentyl acetate	DTXSID1027263				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C62924703	62924-70-3	Flumetralin	DTXSID7032553				2	2	2	1.77815125	1.903089987	1.954242509	1.903089987	1.954242509
C629629	629-62-9	Pentadecane	DTXSID6027268				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C629765	629-76-5	1-Pentadecanol	DTXSID0027270				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C630568	630-56-8	Hydroxyprogesterone caproate	DTXSID6043915		1.698970004		2	2	2	2.301029996	1.602059991	1.954242509	1.903089987	1.954242509
C63058	63-05-8	"4-Androstene-3,17-dione"	DTXSID8024523	1.698970004	1.698970004	1.698970004	2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C6317186	6317-18-6	Methylene bis(thiocyanate)	DTXSID8025599				2	2	2	0.698970004	1.903089987	1.954242509	1.903089987	1.954242509
C63252	63-25-2	Carbaryl	DTXSID9020247	1.698970004		1.698970004	2	2	2	2	1.602059991	1.954242509	1.602059991	1.954242509
C633965	633-96-5	C.I. Acid Orange 7	DTXSID0038881			1.698970004	2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C63423	63-42-3	Lactose	DTXSID2023193				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C6344678	6344-67-8	3-Hydroxyfluorene	DTXSID9047540	1.698970004	1.698970004		2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C63449412	63449-41-2	Benzyl-C8-18-alkyldimethylammonium chlorides	DTXSID1048122				2	2	2	2.301029996	1.954242509	2	1.954242509	2
C6359826	6359-82-6	Acid Yellow 11	DTXSID5047451		1.698970004	1.698970004	2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C6359906	6359-90-6	"C.I. Acid Yellow 34, monosodium salt"	DTXSID0041646				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C6359984	6359-98-4	"C.I. Acid Yellow 17, disodium salt"	DTXSID6041719				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C63612500	63612-50-0	Nilutamide	DTXSID3034165	-1	1.698970004	1.698970004	2	2	2	2.301029996	1.903089987	1.698970004	1.903089987	1.698970004
C636215	636-21-5	2-Methylaniline hydrochloride	DTXSID7021364				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C637070	637-07-0	Clofibrate	DTXSID3020336				2	2	2	2.301029996	1.602059991	1.698970004	1.903089987	1.954242509
C6381777	6381-77-7	Sodium erythorbate (1:1)	DTXSID5020570				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C64108	64-10-8	1-Phenylurea	DTXSID8042507				2	2	2	2.301029996	1.84509804	1.954242509	1.84509804	1.954242509
C64197	64-19-7	Acetic acid	DTXSID5024394				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C6422862	6422-86-2	Bis(2-ethylhexyl) terephthalate	DTXSID7027625				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C64359815	64359-81-5	"4,5-Dichloro-2-octyl-3(2H)-isothiazolone"	DTXSID5032315				2	2	2	1.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C643798	643-79-8	"1,2-Benzenedicarboxaldehyde"	DTXSID6032514		1.698970004		2	2	2	2.301029996	1.903089987	1.698970004	1.903089987	1.954242509
C644973	644-97-3	Phenyl phosphorus dichloride	DTXSID4027282		1.698970004		2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C645567	645-56-7	4-Propylphenol	DTXSID9022100		1.698970004		2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C645625	645-62-5	2-Ethyl-2-hexenal	DTXSID4025296				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C6459945	6459-94-5	C.I. Acid Red 114	DTXSID8021224		1.602059991	1	1.84509804	1.84509804	1.84509804	2	1.903089987	1.954242509	1.698970004	1.954242509
C64675	64-67-5	Diethyl sulfate	DTXSID1024045				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C64700567	64700-56-7	Triclopyr-butotyl	DTXSID5032579				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C647427	647-42-7	"3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctan-1-ol"	DTXSID5044572				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C6485401	6485-40-1	R-(-)-Carvone	DTXSID7041413				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C64868	64-86-8	Colchicine	DTXSID5024845				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C648917139	648917-13-9	AVE2865	DTXSID5047376				1.698970004	1.698970004	1.698970004	1	1.602059991	1.698970004	1.602059991	1.698970004
C650511	650-51-1	Sodium trichloroacetate	DTXSID6034924				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C65236	65-23-6	Pyridoxine	DTXSID4023541				2	2	2	2.301029996	1.602059991	1.954242509	1.602059991	1.954242509
C65277421	65277-42-1	Ketoconazole	DTXSID7029879				2	2	2	1.84509804	1.903089987	1.698970004	1.903089987	1.954242509
C654055013	654055-01-3	Morin hydrate	DTXSID3040776		1.698970004		2	2	2	2.301029996	1.84509804	1.954242509	1.84509804	1.954242509
C65452	65-45-2	Salicylamide	DTXSID3021726				2	2	2	2.301029996	1.602059991	1.698970004	1.84509804	1.954242509
C657841	657-84-1	Sodium 4-methylbenzenesulfonate	DTXSID9042415				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C65850	65-85-0	Benzoic acid	DTXSID6020143				2	2	2	2.301029996	1.903089987	2	1.903089987	1.954242509
C6610293	6610-29-3	N-Methylhydrazinecarbothioamide	DTXSID7044390				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C66215278	66215-27-8	Cyromazine	DTXSID6023999				2	2	2	2	1.602059991	1.698970004	1.903089987	1.954242509
C66230044	66230-04-4	Esfenvalerate	DTXSID4032667	1.698970004		1.698970004	2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C6624733	6624-73-3	"Pentane-1,5-diyl dibenzoate"	DTXSID5047538				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C6625463	6625-46-3	"C.I. Acid Violet 12, disodium salt"	DTXSID6041715				2	2	2	2.301029996	1.84509804	1.954242509	1.84509804	1.954242509
C66273	66-27-3	Methyl methanesulfonate	DTXSID7020845				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C66332965	66332-96-5	Flutolanil	DTXSID8024109	1.698970004		1.698970004	2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C66357355	66357-35-5	Ranitidine	DTXSID8045191				2	2	2	2.301029996	1.602059991	1.698970004	1.903089987	1.954242509
C66441234	66441-23-4	Fenoxaprop-ethyl	DTXSID2032392	1.698970004			2	2	2	1.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C66456539	66456-53-9	"Adipic acid, polypropyleneglycol, laurate"	DTXSID6047527		1.301029996		1.698970004	1.698970004	1.698970004	2	1.602059991	1.698970004	1.602059991	1.698970004
C66575299	66575-29-9	Forskolin	DTXSID8040484				2	2	2	2.301029996	1.602059991	1.698970004	1.903089987	1.698970004
C66717	66-71-7	"1,10-Phenanthroline"	DTXSID1025857				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C66819	66-81-9	Cycloheximide	DTXSID6024882		1.602059991	1.602059991	1.954242509	1.954242509	1.954242509	2.301029996	1.903089987	1.698970004	1.903089987	1.698970004
C6683198	6683-19-8	Irganox 1010	DTXSID1027633				1.602059991	1.602059991	1.602059991	1.954242509	1.477121255	1.602059991	1.477121255	1.602059991
C668981020	668981-02-0	CP-863187	DTXSID0047294				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C6706598	6706-59-8	L-Glucitol	DTXSID4042096		1.698970004		2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C67209	67-20-9	Nitrofurantoin	DTXSID7020972				2	2	2	2.301029996	1.602059991	1.698970004	1.903089987	1.698970004
C6728263	6728-26-3	(2E)-2-Hexenal	DTXSID1041425				2	2	2	2.301029996	1.84509804	1.954242509	1.84509804	1.954242509
C67301	67-30-1	Tetrac	DTXSID5048186				1.84509804	1.84509804	1.84509804	2	1.698970004	1.77815125	1.698970004	1.77815125
C6734801	6734-80-1	Metam-sodium hydrate	DTXSID2040361			1.698970004	2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C67485294	67485-29-4	Hydramethylnon	DTXSID6023868		1.698970004		2	2	2	1.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C67564914	67564-91-4	"(2R,6S)-Fenpropimorph"	DTXSID4034601				2	2	2	1.84509804	1.903089987	1.954242509	1.903089987	1.954242509
C676116044	676116-04-4	PD 0343701	DTXSID7047271				2	2	2	1.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C67685	67-68-5	Dimethyl sulfoxide	DTXSID2021735				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C67747095	67747-09-5	Prochloraz	DTXSID4024270	1.698970004	1.698970004	1.698970004	2	2	2	1.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C67786145	67786-14-5	Acid Red 337	DTXSID2044713			1.698970004	2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C678397	678-39-7	"1,1,2,2-Tetrahydroperfluoro-1-decanol"	DTXSID7029904				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C6789884	6789-88-4	Hexyl benzoate	DTXSID9025403				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C68111	68-11-1	Thioglycolic acid	DTXSID8026141				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C68122	68-12-2	"N,N-Dimethylformamide"	DTXSID6020515	1.698970004			2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C68157608	68157-60-8	Forchlorfenuron	DTXSID1034634	1.698970004			2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C68169039	68169-03-9	(Dicyclopentadienyloxy)ethyl methacrylate	DTXSID5041302				2	2	2	2.301029996	1.903089987	2	1.903089987	2
C682019	682-01-9	Tetrapropyl orthosilicate	DTXSID9042382				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C68224	68-22-4	Norethindrone	DTXSID9023380	-1	-0.698970004	1.698970004	0	0	2	2.301029996	1.903089987	1.698970004	1.903089987	1.954242509
C68268	68-26-8	Retinol	DTXSID3023556				2	2	2	2.301029996	1.602059991	1.698970004	1.903089987	2
C683181	683-18-1	Dibutyltin dichloride	DTXSID8027292		1.698970004	1.698970004	2	2	2	0.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C68359375	68359-37-5	Cyfluthrin	DTXSID5035957	1.698970004		1.698970004	2	2	2	1.77815125	1.903089987	1.954242509	1.903089987	1.954242509
C68392358	68392-35-8	4-Hydroxytamoxifen	DTXSID3037094	1.477121255	1.698970004	1.477121255	1.77815125	1.77815125	1.77815125	1	1.698970004	1.77815125	1.698970004	1.77815125
C6846500	6846-50-0	"2,2,4-Trimethyl-1,3-pentanediol diisobutyrate"	DTXSID1027635				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C684935	684-93-5	N-Nitroso-N-methylurea	DTXSID4021006				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C68515480	68515-48-0	DINP branched	DTXSID5028665				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C68515491	68515-49-1	"1,2-Benzenedicarboxylic acid, di-C9-11-branched alkyl esters, C10-rich"	DTXSID0028666				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C68515753	68515-75-3	"Hexanedioic acid, di-C7-9-branched and linear alkyl esters"	DTXSID2047517				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C68555862	68555-86-2	Acid Orange 156	DTXSID7044718		1.698970004	1.301029996	2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C68609972	68609-97-2	C12-14-Alkyl glycidyl ether	DTXSID7028774				2.301029996	2.301029996	2.301029996	2.602059991	2	2.301029996	2	2.301029996
C686756876	686756-87-6	PharmaGSID_48519	DTXSID4048519		1.698970004		2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C68694111	68694-11-1	Triflumizole	DTXSID2032500	1.698970004	1.698970004		2	2	2	1	1.903089987	1.954242509	1.903089987	1.954242509
C68917180	68917-18-0	Cornmint oil	DTXSID3047712				1.698970004	1.698970004	1.698970004	2	1.602059991	1.698970004	1.602059991	1.698970004
C6893023	6893-02-3	"3,5,3'-Triiodothyronine"	DTXSID8023216		1.602059991	1.602059991	1.903089987	1.903089987	1.903089987	2.301029996	1.602059991	1.698970004	1.77815125	1.84509804
C68959206	68959-20-6	Disiquonium chloride	DTXSID5035589				2	2	2	1.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C68962	68-96-2	17alpha-Hydroxyprogesterone	DTXSID6040747	1.698970004	1.698970004	1.698970004	2	2	2	2.301029996	1.602059991	1.698970004	1.903089987	1.954242509
C69090	69-09-0	Chlorpromazine hydrochloride	DTXSID7024827				2	2	2	1.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C6915157	6915-15-7	Malic acid	DTXSID0027640				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C6923224	6923-22-4	Monocrotophos	DTXSID9034816				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C692864	692-86-4	Ethyl undec-10-enoate	DTXSID4044828				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C69327760	69327-76-0	Buprofezin	DTXSID8034401				2	2	2	1	1.903089987	1.954242509	1.903089987	1.954242509
C69377817	69377-81-7	Fluroxypyr	DTXSID2034627				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C695067	695-06-7	gamma-Caprolactone	DTXSID8041298				2	2	2	2.301029996	1.954242509	2	1.954242509	2
C69655056	69655-05-6	"2',3'-Dideoxyinosine"	DTXSID6022927				2	2	2	2.301029996	1.602059991	2	1.602059991	1.954242509
C69658	69-65-8	D-Mannitol	DTXSID1023235				2	2	2	2.301029996	1.903089987	1.698970004	1.602059991	1.954242509
C69727	69-72-7	Salicylic acid	DTXSID7026368		1.698970004		2	2	2	2.301029996	1.602059991	1.698970004	1.602059991	1.954242509
C69749	69-74-9	Cytarabine hydrochloride	DTXSID5024891				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C69806402	69806-40-2	Haloxyfop-methyl	DTXSID6024123				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C69806504	69806-50-4	Fluazifop-butyl	DTXSID3034612	1.698970004		1.698970004	2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C7011838	7011-83-8	Dihydrojasmone lactone	DTXSID3041299				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C70553	70-55-3	4-Toluenesulfonamide	DTXSID8029105				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C705602	705-60-2	(2-Nitro-1-propenyl)benzene	DTXSID1041188				2	2	2	1.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C70568604	70568-60-4	4-Butylcyclohexanol	DTXSID6048204				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C706149	706-14-9	gamma-Decanolactone	DTXSID4022109				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C7080504	7080-50-4	Chloramine-T trihydrate	DTXSID6040795				2	2	2	2.301029996	1.602059991	1.698970004	1.602059991	2
C709988	709-98-8	Propanil	DTXSID8022111	1.698970004	1.698970004		2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C71238	71-23-8	1-Propanol	DTXSID2021739				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C712505	712-50-5	Cyclohexylphenylketone	DTXSID5048182			1.698970004	2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C71283802	71283-80-2	Fenoxaprop-P-ethyl	DTXSID2034598				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C71526073	71526-07-3	MON-4660	DTXSID0044575				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C7173515	7173-51-5	Didecyldimethylammonium chloride	DTXSID9032537		1.698970004	1.698970004	2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C71751412	71751-41-2	Abamectin	DTXSID8023892	1.698970004	1.477121255	1.698970004	1.77815125	1.77815125	1.77815125	0.602059991	1.602059991	1.698970004	1.602059991	1.698970004
C717748	717-74-8	"1,3,5-Triisopropylbenzene"	DTXSID4041232		1.698970004		2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C7212444	7212-44-4	Nerolidol	DTXSID3022247		1.698970004		2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C72178020	72178-02-0	Fomesafen	DTXSID7024112				2	2	2	2.301029996	1.84509804	1.954242509	1.84509804	1.954242509
C72208	72-20-8	Endrin	DTXSID6020561				2	2	2	2.301029996	1.602059991	1.698970004	1.903089987	1.954242509
C72333	72-33-3	Mestranol	DTXSID0020814	1.698970004	1	1.698970004	2	2	2	2.301029996	1.602059991	1.698970004	1.903089987	1.698970004
C72435	72-43-5	Methoxychlor	DTXSID9020827	1.698970004	1.698970004	1.698970004	2	2	2	1.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C72490018	72490-01-8	Fenoxycarb	DTXSID7032393				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C725228455	725228-45-5	AVE5638	DTXSID0047371		1.698970004	1.698970004	2	2	2	1.84509804	1.903089987	1.954242509	1.903089987	1.954242509
C72548	72-54-8	"p,p'-DDD"	DTXSID4020373				2	2	2	1.84509804	1.903089987	1.954242509	1.903089987	1.954242509
C72559	72-55-9	"p,p'-DDE"	DTXSID9020374	1.698970004	1.698970004	1.698970004	2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C7287196	7287-19-6	Prometryn	DTXSID4024272				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C732116	732-11-6	Phosmet	DTXSID5024261		1.698970004	1.698970004	2	2	2	2.301029996	1.903089987	1.698970004	1.903089987	1.698970004
C73223	73-22-3	l-Tryptophan	DTXSID5021419				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C732263	732-26-3	"2,4,6-Tris(tert-butyl)phenol"	DTXSID2021311				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C73314	73-31-4	Melatonin	DTXSID1022421				2	2	2	2.301029996	1.602059991	1.954242509	1.602059991	1.954242509
C7378996	7378-99-6	"N,N-Dimethyloctylamine"	DTXSID2036299				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C7398698	7398-69-8	Dimethyldiallylammonium chloride	DTXSID4027650		1.698970004		2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C74051802	74051-80-2	Sethoxydim	DTXSID9024304				2	2	2	1.77815125	1.903089987	1.954242509	1.903089987	1.954242509
C74115245	74115-24-5	Clofentezine	DTXSID9023881				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C741582	741-58-2	Bensulide	DTXSID9032329	1.698970004		1.698970004	2	2	2	0.84509804	1.903089987	1.954242509	1.903089987	1.954242509
C742693385	742693-38-5	SSR504734	DTXSID3047348				2	2	2	1.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C744456	744-45-6	Diphenyl isophthalate	DTXSID8037752				2	2	2	2.301029996	1.903089987	2	1.903089987	2
C7487947	7487-94-7	Mercuric chloride	DTXSID5020811		1.698970004		2	2	2	1.84509804	1.602059991	1.698970004	1.903089987	1.954242509
C75127	75-12-7	Formamide	DTXSID8025337				2	2	2	2.301029996	1.903089987	2	1.903089987	1.954242509
C75330755	75330-75-5	Lovastatin	DTXSID5020784		1.698970004		2	2	2	1.84509804	1.602059991	2	1.903089987	1.954242509
C753731	753-73-1	Dimethyltin dichloride	DTXSID5027304				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C7540514	7540-51-4	(S)-(-)-beta-Citronellol	DTXSID1041550				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C754916	754-91-6	PFOSA	DTXSID3038939				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C75503	75-50-3	Trimethylamine	DTXSID2026238				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C75605	75-60-5	Dimethylarsinic acid	DTXSID7020508				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C75649	75-64-9	tert-Butylamine	DTXSID5024681				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C756796	756-79-6	Dimethyl methylphosphonate	DTXSID0020494				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C75865	75-86-5	2-Hydroxy-2-methylpropanenitrile	DTXSID7025427				2	2	2	2.301029996	1.903089987	2	1.903089987	1.954242509
C75990	75-99-0	Dalapon	DTXSID2021575				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C759944	759-94-4	EPTC	DTXSID1024091	1.698970004		1.698970004	2	2	2	1.77815125	1.903089987	2	1.903089987	1.954242509
C760236	760-23-6	"3,4-Dichloro-1-butene"	DTXSID8022113				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C76039	76-03-9	Trichloroacetic acid	DTXSID1021378				2	2	2	2.301029996	1.602059991	1.698970004	1.602059991	1.954242509
C762049	762-04-9	Diethyl phosphite	DTXSID9041861				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C7631869	7631-86-9	Silica	DTXSID1029677				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C7632000	7632-00-0	Sodium nitrite	DTXSID0020941				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C76448	76-44-8	Heptachlor	DTXSID3020679				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C76493	76-49-3	Bornyl acetate	DTXSID7041675				2	2	2	2.301029996	1.602059991	1.698970004	1.903089987	1.954242509
C76578148	76578-14-8	Quizalofop-ethyl	DTXSID9023889				1.954242509	1.954242509	1.954242509	1.602059991	1.903089987	1.954242509	1.903089987	1.903089987
C7659861	7659-86-1	2-Ethylhexyl sulfanylacetate	DTXSID4027656				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C7664382	7664-38-2	Phosphoric acid	DTXSID5024263				2	2	2	2.301029996	1.602059991	1.698970004	1.602059991	1.954242509
C76738620	76738-62-0	Paclobutrazol	DTXSID2024242	1.698970004			2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C7681767	7681-76-7	Ronidazole	DTXSID6045400				2	2	2	2.301029996	1.602059991	1.698970004	1.602059991	1.954242509
C7681825	7681-82-5	Sodium iodide	DTXSID2041125				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C76879	76-87-9	Triphenyltin hydroxide	DTXSID1021409	1.698970004			2	2	2	0.77815125	1.903089987	1.954242509	1.903089987	1.954242509
C7696120	7696-12-0	Tetramethrin	DTXSID6032649				2	2	2	2	1.602059991	1.698970004	1.903089987	1.954242509
C769926	769-92-6	4-tert-Butylaniline	DTXSID0048181				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C770354	770-35-4	1-Phenoxy-2-propanol	DTXSID9027312				2	2	2	2.301029996	1.602059991	1.698970004	1.602059991	1.954242509
C77065	77-06-5	Gibberellic acid	DTXSID0020656				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C77098	77-09-8	Phenolphthalein	DTXSID0021125			1.698970004	2	2	2	2.301029996	1.602059991	1.954242509	1.903089987	1.698970004
C77407	77-40-7	Bisphenol B	DTXSID4022442	-1	1.698970004	1.698970004	2	2	2	1.84509804	1.903089987	1.954242509	1.903089987	1.954242509
C7747355	7747-35-5	"5-Ethyl-1-aza-3,7-dioxabicyclo[3.3.0]octane"	DTXSID3029289				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C77474	77-47-4	Hexachlorocyclopentadiene	DTXSID2020688				2	2	2	1.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C77485	77-48-5	"1,3-Dibromo-5,5-dimethylhydantoin"	DTXSID3035341				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C77501634	77501-63-4	Lactofen	DTXSID7024160	1.698970004		1.698970004	2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C7757791	7757-79-1	Potassium nitrate	DTXSID4029692				2	2	2	2.301029996	1.84509804	1.954242509	1.84509804	1.954242509
C7758192	7758-19-2	Sodium chlorite	DTXSID8021272				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C77714	77-71-4	"5,5-Dimethylhydantoin"	DTXSID5021754				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C7773060	7773-06-0	Ammonium sulfamate	DTXSID5023875				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C77736	77-73-6	Dicyclopentadiene	DTXSID5025023				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C7775271	7775-27-1	Sodium persulfate	DTXSID4029698				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C77781	77-78-1	Dimethyl sulfate	DTXSID5024055				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C7779273	7779-27-3	"1,3,5-Triethylhexahydro-s-triazine"	DTXSID1032511		1.698970004		2	2	2	2.301029996	1.84509804	1.954242509	1.84509804	1.954242509
C77838	77-83-8	Ethyl methylphenylglycidate	DTXSID8020591				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C7785264	7785-26-4	(-)-alpha-Pinene	DTXSID2029290				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C77861	77-86-1	Tromethamine	DTXSID2023723				2	2	2	2.301029996	1.903089987	1.698970004	1.903089987	1.954242509
C7786347	7786-34-7	Mevinphos	DTXSID2032683	1.698970004		1.698970004	2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C77894	77-89-4	Acetyltriethyl citrate	DTXSID5044576				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C77907	77-90-7	Acetyl tributyl citrate	DTXSID2026446				2	2	2	2.301029996	1.602059991	1.698970004	1.903089987	1.698970004
C77929	77-92-9	Citric acid	DTXSID3020332				2	2	2	2.301029996	1.602059991	1.698970004	1.602059991	1.954242509
C77930	77-93-0	Triethyl citrate	DTXSID0040701				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C78079	78-07-9	Ethyltriethoxysilane	DTXSID7041962				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C78115	78-11-5	Pentaerythritol tetranitrate	DTXSID2023430				2	2	2	2.301029996	1.903089987	1.698970004	1.903089987	1.954242509
C78400	78-40-0	Triethyl phosphate	DTXSID8026228				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C78422	78-42-2	Tris(2-ethylhexyl) phosphate	DTXSID0021414	1.698970004	1.698970004		2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C78473719	78473-71-9	Enterolactone	DTXSID0048183	1.301029996	1.301029996	1.301029996	1.477121255	1.477121255	1.477121255	1.84509804	1.477121255	1.477121255	1.477121255	1.477121255
C78488	78-48-8	Tribufos	DTXSID1024174				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C78491028	78491-02-8	Diazolidinyl urea	DTXSID0029559				1.84509804	1.84509804	1.84509804	2	1.77815125	1.954242509	1.903089987	1.84509804
C78513	78-51-3	Tris(2-butoxyethyl) phosphate	DTXSID5021758				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C78587050	78587-05-0	Hexythiazox	DTXSID7024299				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C78591	78-59-1	Isophorone	DTXSID8020759				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C78637	78-63-7	"2,5-Dimethyl-2,5-di-(tert-butylperoxy)hexane"	DTXSID9025110				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C78693	78-69-3	"3,7-Dimethyl-3-octanol"	DTXSID7029110				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C78706	78-70-6	Linalool	DTXSID7025502				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C78820	78-82-0	2-Methylpropanenitrile	DTXSID5026461				2	2	2	2.301029996	1.903089987	1.954242509	1.84509804	1.954242509
C789026	789-02-6	"o,p'-DDT"	DTXSID6022345			1.602059991	1.84509804	1.84509804	1.84509804	2	1.903089987	1.954242509	1.903089987	1.77815125
C78966	78-96-6	1-Amino-2-propanol	DTXSID9021764				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C79061	79-06-1	Acrylamide	DTXSID5020027				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C79098207	79098-20-7	4-Chloropentylbenzene	DTXSID6048206				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C79141	79-14-1	Glycolic acid	DTXSID0025363				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C79163	79-16-3	N-Methylacetamide	DTXSID0047167				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C79241466	79241-46-6	Fluazifop-P-butyl	DTXSID0034855				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C79243	79-24-3	Nitroethane	DTXSID8020969		1.698970004		2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C79277273	79277-27-3	Thifensulfuron-methyl	DTXSID1024124				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C79390	79-39-0	Methacrylamide	DTXSID8029600				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C79436	79-43-6	Dichloroacetic acid	DTXSID2020428				2	2	2	2.301029996	1.602059991	1.698970004	1.602059991	1.954242509
C79447	79-44-7	Dimethylcarbamoyl chloride	DTXSID1020512				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C79538322	79538-32-2	Tefluthrin	DTXSID5032577				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C79572	79-57-2	Oxytetracycline	DTXSID1034260	1.698970004	1	1.698970004	2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C79622596	79622-59-6	Fluazinam	DTXSID7032551				2	2	2	0.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C797637	797-63-7	Norgestrel	DTXSID3036496	-1	-0.698970004	-1	0	0	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C79902639	79902-63-9	Simvastatin	DTXSID0023581				2	2	2	1.84509804	1.301029996	1.301029996	1.903089987	1.954242509
C79925	79-92-5	Camphene	DTXSID8026488				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C79947	79-94-7	"3,3',5,5'-Tetrabromobisphenol A"	DTXSID1026081			1.698970004	2	2	2	1.77815125	1.903089987	1.954242509	1.903089987	1.954242509
C79958	79-95-8	"2,2',6,6'-Tetrachlorobisphenol A"	DTXSID3021770	1.698970004	1	1.698970004	2	2	2	1.84509804	1.903089987	1.954242509	1.903089987	1.954242509
C79983714	79983-71-4	Hexaconazole	DTXSID4034653	1.698970004	1.698970004	1.698970004	2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C8000348	8000-34-8	Clove leaf oil	DTXSID8044175		1.301029996		1.698970004	1.698970004	1.698970004	2	1.602059991	1.698970004	1.602059991	1.698970004
C8000417	8000-41-7	Terpineol	DTXSID8040775				2	2	2	2.301029996	1.602059991	1.698970004	1.602059991	1.954242509
C8001545	8001-54-5	Benzalkonium chloride	DTXSID9034317				2	2	2	1.477121255	1.954242509	2	1.954242509	2
C8004920	8004-92-0	C.I. Acid Yellow 3 disodium salt	DTXSID0041721			1.698970004	2	2	2	2.301029996	1.903089987	2	1.903089987	2
C80057	80-05-7	Bisphenol A	DTXSID7020182	1.698970004	1.698970004	1.698970004	0	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C8006904	8006-90-4	Peppermint oil	DTXSID6021113				1.698970004	1.698970004	1.698970004	2	1.602059991	1.698970004	1.602059991	1.698970004
C8007703	8007-70-3	Anise oil	DTXSID3024528				1.698970004	1.698970004	1.698970004	2	1.903089987	1.954242509	1.903089987	1.698970004
C80079	80-07-9	"4,4'-Dichlorodiphenyl sulfone"	DTXSID9024986				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C80080	80-08-0	Dapsone	DTXSID4020371				2	2	2	2.301029996	1.602059991	1.698970004	1.903089987	1.954242509
C80091	80-09-1	"4,4'-Sulfonyldiphenol"	DTXSID3022409				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C80159	80-15-9	Cumene hydroperoxide	DTXSID3024869				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C8018017	8018-01-7	Mancozeb	DTXSID0034695		1.301029996	1.301029996	1.698970004	1.698970004	1.698970004	0	1.602059991	1.698970004	1.602059991	1.698970004
C80262	80-26-2	alpha-Terpinyl acetate	DTXSID2026496				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C80273	80-27-3	Terpinyl propionate	DTXSID3044833				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C80433	80-43-3	Dicumyl peroxide	DTXSID1025017				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C80466	80-46-6	4-(2-Methylbutan-2-yl)phenol	DTXSID8021771	1.698970004	1.698970004		2	2	2	1.84509804	1.602059991	1.698970004	1.602059991	1.698970004
C80546	80-54-6	3-(4-tert-Butylphenyl)-2-methylpropanal	DTXSID9026500				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C80568	80-56-8	alpha-Pinene	DTXSID4026501				2	2	2	2.301029996	1.602059991	1.698970004	1.903089987	1.954242509
C80844071	80844-07-1	Etofenprox	DTXSID9032610				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C81072	81-07-2	Saccharin	DTXSID5021251				2	2	2	2.301029996	1.602059991	1.954242509	1.602059991	1.954242509
C81131706	81131-70-6	Pravastatin sodium	DTXSID6047525			1.698970004	2	2	2	2.301029996	1.602059991	1.698970004	1.602059991	1.954242509
C81334341	81334-34-1	Imazapyr	DTXSID8034665	1.698970004			2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C81335377	81335-37-7	Imazaquin	DTXSID3024152				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C81335775	81335-77-5	Imazethapyr	DTXSID3024287	1.698970004			2	2	2	2	1.84509804	1.954242509	1.84509804	1.954242509
C81405858	81405-85-8	Imazamethabenz	DTXSID3032412				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C81406373	81406-37-3	Fluroxypyr-meptyl	DTXSID5034303				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C81741288	81741-28-8	Tributyltetradecylphosphonium chloride	DTXSID9034997		1.698970004	1.698970004	2	2	2	0.84509804	1.903089987	1.954242509	1.903089987	1.954242509
C81777891	81777-89-1	Clomazone	DTXSID1032355	1.698970004			2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C81812	81-81-2	Warfarin	DTXSID5023742				2	2	2	2.301029996	1.602059991	1.698970004	1.903089987	1.954242509
C818611	818-61-1	2-Hydroxyethyl acrylate	DTXSID2022123				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C81889	81-88-9	Rhodamine B	DTXSID6042369				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C81903	81-90-3	Phenolphthalin	DTXSID5022439		1.698970004	1.698970004	2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C822060	822-06-0	"1,6-Diisocyanatohexane"	DTXSID4024143				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C82385420	82385-42-0	Sodium saccharin hydrate	DTXSID7021992				2	2	2	2.301029996	1.84509804	1.954242509	1.84509804	1.954242509
C824395	824-39-5	Sodium 2-nitrophenolate	DTXSID5035616				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C82469792	82469-79-2	Butyryl trihexyl citrate	DTXSID0047535				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C824782	824-78-2	Sodium 4-nitrophenolate	DTXSID3027320				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C82558507	82558-50-7	Isoxaben	DTXSID8024159				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C825643570	825643-57-0	PharmaGSID_48513	DTXSID4048513			1.602059991	1.903089987	1.903089987	1.903089987	1.301029996	1.77815125	1.84509804	1.77815125	1.84509804
C82640048	82640-04-8	Raloxifene hydrochloride	DTXSID1034181	-1	1.698970004	-1	2	2	2	2.301029996	1.602059991	1.698970004	1.903089987	1.954242509
C82657043	82657-04-3	Bifenthrin	DTXSID9020160	1.698970004		1.698970004	2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C826620	826-62-0	"2-Norbornene-5,6-dicarboxylic anhydride"	DTXSID0047456				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C82688	82-68-8	Pentachloronitrobenzene	DTXSID2021105	1.698970004		1.698970004	2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C827190	827-19-0	"Sodium 2,5-dimethylbenzenesulfonate"	DTXSID5044578				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C827214	827-21-4	Sodium m-xylene-4-sulfonate	DTXSID1041639				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C828002	828-00-2	Dimethoxane	DTXSID6020480				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C83329	83-32-9	Acenaphthene	DTXSID3021774				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C83410	83-41-0	"1,2-Dimethyl-3-nitrobenzene"	DTXSID7025132				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C834128	834-12-8	Ametryn	DTXSID1023869				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C83657243	83657-24-3	Diniconazole	DTXSID2040363	1.698970004	1.698970004		2	2	2	1	1.954242509	2	1.954242509	2
C83670	83-67-0	Theobromine	DTXSID9026132			1.301029996	1.602059991	1.602059991	1.602059991	1.903089987	1.602059991	1.698970004	1.602059991	1.602059991
C83794	83-79-4	Rotenone	DTXSID6021248	1.698970004		1.698970004	2	2	2	0.301029996	1.602059991	1.698970004	1.903089987	1.954242509
C83834597	83834-59-7	2-Ethylhexyl trans-4-methoxycinnamate	DTXSID9047205				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C83885	83-88-5	Riboflavin	DTXSID8021777			1.698970004	1.954242509	1.954242509	1.954242509	2.301029996	1.602059991	1.698970004	1.903089987	1.954242509
C838857	838-85-7	Diphenyl phosphate	DTXSID1048207				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C838880	838-88-0	"4,4'-Methylenebis(2-methylaniline)"	DTXSID5020867	1.698970004	1.698970004		2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C84087014	84087-01-4	Quinclorac	DTXSID6032641				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C84162	84-16-2	meso-Hexestrol	DTXSID2022381	1.698970004	-0.698970004	1.698970004	0	0	2	1.301029996	1.301029996	1.301029996	1.301029996	1.698970004
C842079	842-07-9	C.I. Solvent Yellow 14	DTXSID4021135				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C84371653	84371-65-3	Mifepristone	DTXSID5023322	1.698970004	-0.698970004	1.698970004	0	0	2	2.301029996	1.602059991	1.954242509	1.903089987	1.954242509
C84617	84-61-7	Dicyclohexyl phthalate	DTXSID5025021		1.698970004		2	2	2	2.301029996	1.903089987	2	1.903089987	2
C84662	84-66-2	Diethyl phthalate	DTXSID7021780	1.698970004			2	2	2	2.301029996	1.903089987	1.954242509	1.602059991	1.954242509
C84695	84-69-5	Diisobutyl phthalate	DTXSID9022522				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C84742	84-74-2	Dibutyl phthalate	DTXSID2021781	1.698970004	1.698970004	1.698970004	2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C84753	84-75-3	Dihexyl phthalate	DTXSID6025068				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C84852153	84852-15-3	"4-Nonylphenol, branched"	DTXSID5029055	1.698970004		1.698970004	2	2	2	1.301029996	1.602059991	1.698970004	1.602059991	1.954242509
C85018	85-01-8	Phenanthrene	DTXSID6024254				2	2	2	2.301029996	1.84509804	1.954242509	1.84509804	1.954242509
C851916422	851916-42-2	MK-812	DTXSID4047335				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C85264331	85264-33-1	"(3,5-Dimethyl-1H-pyrazol-1-yl)methanol"	DTXSID1032513				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C85405	85-40-5	"1,2,3,6-Tetrahydrophthalimide"	DTXSID8026513				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C85416	85-41-6	Phthalimide	DTXSID3026514				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C85507795	85507-79-5	"Phthalic acid, diundecyl ester, branched and linear"	DTXSID4029565				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C85509199	85509-19-9	Flusilazole	DTXSID3024235	1.698970004	1.698970004		2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C85532758	85532-75-8	PK 11195	DTXSID7041097				1.77815125	1.77815125	1.77815125	2	1.698970004	1.77815125	1.698970004	1.77815125
C85687	85-68-7	Benzyl butyl phthalate	DTXSID3020205				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C860220	860-22-0	C.I. Acid Blue 74	DTXSID1020190		1.698970004		2	2	2	2.301029996	1.602059991	1.698970004	1.903089987	1.954242509
C862243296	862243-29-6	AVE9423	DTXSID0047375			1.698970004	2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C86306	86-30-6	N-Nitrosodiphenylamine	DTXSID6021030				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C86386734	86386-73-4	Fluconazole	DTXSID3020627				2	2	2	2.301029996	1.602059991	1.698970004	1.903089987	1.954242509
C864283487	864283-48-7	GSK232420A	DTXSID1047312	1.698970004	1.698970004	1.698970004	2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C86479063	86479-06-3	Hexaflumuron	DTXSID3032620				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C86500	86-50-0	Azinphos-methyl	DTXSID3020122	1.698970004	1.698970004	1.698970004	2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C86737	86-73-7	Fluorene	DTXSID8024105				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C86873	86-87-3	1-Naphthaleneacetic acid	DTXSID8020915				2	2	2	2.301029996	1.602059991	1.698970004	1.602059991	1.954242509
C868859	868-85-9	Dimethyl hydrogen phosphite	DTXSID5020493				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C87014	87-01-4	7-(Dimethylamino)-4-methylcoumarin	DTXSID6041422		1.698970004		2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C87183	87-18-3	4-tert-Butylphenyl salicylate	DTXSID9037745				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C87241	87-24-1	Ethyl 2-methylbenzoate	DTXSID4040711				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C872504	872-50-4	N-Methyl-2-pyrrolidone	DTXSID6020856				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C87252	87-25-2	Ethyl anthranilate	DTXSID6025272				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C87392129	87392-12-9	S-Metolachlor	DTXSID6032431				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C87546187	87546-18-7	Flumiclorac-pentyl	DTXSID2032554				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C87616	87-61-6	"1,2,3-Trichlorobenzene"	DTXSID8026193				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C87627	87-62-7	"2,6-Dimethylaniline"	DTXSID8026307				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	2
C87674688	87674-68-8	Dimethenamid	DTXSID4032376				2	2	2	1	1.602059991	1.698970004	1.903089987	1.954242509
C87683	87-68-3	"Hexachloro-1,3-butadiene"	DTXSID7020683				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C87694	87-69-4	L-Tartaric acid	DTXSID8023632				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C877247	877-24-7	Monopotassium phthalate	DTXSID0042167				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C87818313	87818-31-3	Cinmethylin	DTXSID3034456				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C87820880	87820-88-0	Tralkoxydim	DTXSID1034973				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C87865	87-86-5	Pentachlorophenol	DTXSID7021106	1.477121255			1.698970004	1.698970004	1.698970004	2	1.903089987	1.698970004	1.903089987	1.954242509
C87901	87-90-1	Symclosene	DTXSID2026523				2	2	2	2	1.602059991	1.698970004	1.602059991	1.954242509
C88040	88-04-0	"4-Chloro-3,5-dimethylphenol"	DTXSID0032316				2	2	2	2.301029996	1.602059991	1.698970004	1.602059991	1.698970004
C88062	88-06-2	"2,4,6-Trichlorophenol"	DTXSID5021386				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C88120	88-12-0	N-Vinyl-2-pyrrolidone	DTXSID2021440				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C88186	88-18-6	2-tert-Butylphenol	DTXSID2026525				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C88244	88-24-4	"2,2'-Methylenebis(ethyl-6-tert-butylphenol)"	DTXSID7038864				2	2	2	1.84509804	1.903089987	1.954242509	1.903089987	1.954242509
C88302	88-30-2	3-Trifluoromethyl-4-nitrophenol	DTXSID7021788				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C88415	88-41-5	2-tert-Butylcyclohexyl acetate	DTXSID3036105				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C88584	88-58-4	"2,5-Di-tert-butylbenzene-1,4-diol"	DTXSID8041248				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C88608	88-60-8	2-tert-Butyl-5-methylphenol	DTXSID2026529				2	2	2	2.301029996	1.903089987	1.954242509	1.84509804	1.954242509
C88671890	88671-89-0	Myclobutanil	DTXSID8024315	1.698970004		1.698970004	2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C88697	88-69-7	2-Isopropylphenol	DTXSID2044391				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C88722	88-72-2	2-Nitrotoluene	DTXSID4025791				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C88744	88-74-4	2-Nitroaniline	DTXSID1025726		1.698970004		2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C88755	88-75-5	2-Nitrophenol	DTXSID1021790				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C88857	88-85-7	Dinoseb	DTXSID3020207				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C89043	89-04-3	Trioctyl trimellitate	DTXSID0047533				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C89714	89-71-4	Methyl 2-methylbenzoate	DTXSID6048208				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C89725	89-72-5	2-(Butan-2-yl)phenol	DTXSID2022331				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C89781	89-78-1	dl-Menthol	DTXSID1020805				2	2	2	2.301029996	1.602059991	1.698970004	1.602059991	1.954242509
C89838	89-83-8	Thymol	DTXSID6034972				2	2	2	2.301029996	1.602059991	1.698970004	1.903089987	1.954242509
C89872	89-87-2	"1,3-Dimethyl-4-nitrobenzene"	DTXSID2025135				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C90006	90-00-6	2-Ethylphenol	DTXSID1022479				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C90028	90-02-8	Salicylaldehyde	DTXSID1021792				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C9003116	9003-11-6	Pluronic F-127	DTXSID4047597				1	1	1	1.477121255	1.77815125	1.903089987	1.77815125	1.903089987
C90040	90-04-0	2-Anisidine	DTXSID5023877				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C9004824	9004-82-4	Sodium lauryl polyoxyethylene ether sulfate	DTXSID2029298			1.698970004	2	2	2	1.84509804	1.903089987	1.954242509	1.903089987	1.954242509
C9004960	9004-96-0	Polyoxyethylene monoleate	DTXSID6027713			1.301029996	1.698970004	1.698970004	1.698970004	2	2	2	2	2
C90051	90-05-1	2-Methoxyphenol	DTXSID0023113				2	2	2	2.301029996	1.602059991	1.954242509	1.602059991	1.954242509
C9005656	9005-65-6	Polysorbate 80	DTXSID0021175				1.698970004	1.698970004	1.698970004	2	1.84509804	1.903089987	1.84509804	1.903089987
C90120	90-12-0	1-Methylnaphthalene	DTXSID9020877				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C90153	90-15-3	1-Naphthol	DTXSID6021793				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C9016006	9016-00-6	Polydimethylsiloxane	DTXSID9023833				1	1	1	1.477121255	0.77815125	0.84509804	0.77815125	0.84509804
C9016879	9016-87-9	Polymethylene polyphenyl isocynate	DTXSID3047473				1.477121255	1.477121255	1.477121255	1.698970004	1.698970004	1.77815125	1.698970004	1.77815125
C90302	90-30-2	N-Phenyl-1-naphthylamine	DTXSID2025892				2	2	2	1.84509804	1.903089987	1.954242509	1.903089987	1.954242509
C90357065	90357-06-5	Bicalutamide	DTXSID2022678		1.477121255	1.477121255	1.77815125	1.77815125	1.77815125	2	1.602059991	1.698970004	1.602059991	1.698970004
C90437	90-43-7	2-Phenylphenol	DTXSID2021151	1.698970004	1.698970004	1.698970004	2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C90722	90-72-2	"2,4,6-Tris(dimethylaminomethyl)phenol"	DTXSID5026548				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C90823384	90823-38-4	Denatonium saccharide	DTXSID9034361				1.77815125	1.77815125	1.77815125	2	1.698970004	1.77815125	1.698970004	1.77815125
C90948	90-94-8	Michler's ketone	DTXSID2020894				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C91082176	91082-17-6	C10-21 sulfonic acids phenyl esters	DTXSID1047526				1.698970004	1.698970004	1.698970004	2	1.602059991	1.698970004	1.602059991	1.698970004
C91203	91-20-3	Naphthalene	DTXSID8020913				2	2	2	2.301029996	1.602059991	1.954242509	1.903089987	1.954242509
C91225	91-22-5	Quinoline	DTXSID1021798				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C91465086	91465-08-6	lambda-Cyhalothrin	DTXSID7032559	1.602059991	0.954242509	1.602059991	1.903089987	1.903089987	1.903089987	2.301029996	1.84509804	1.903089987	1.84509804	1.903089987
C91532	91-53-2	Ethoxyquin	DTXSID9020582				2	2	2	2.301029996	1.903089987	1.698970004	1.602059991	1.954242509
C91598	91-59-8	2-Naphthylamine	DTXSID2020921				2	2	2	2.301029996	1.903089987	1.954242509	1.84509804	1.954242509
C91623	91-62-3	6-Methylquinoline	DTXSID3020887				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C91645	91-64-5	Coumarin	DTXSID7020348				2	2	2	2.301029996	1.602059991	1.954242509	1.903089987	1.954242509
C91667	91-66-7	"N,N-Diethylaniline"	DTXSID8021800				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C919302	919-30-2	3-Aminopropyltriethoxysilane	DTXSID2027333				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C92046	92-04-6	2-Chloro-4-phenylphenol	DTXSID0022353		1.698970004	1.698970004	2	2	2	1.84509804	1.903089987	1.954242509	1.903089987	1.954242509
C924163	924-16-3	N-Nitrosodibutylamine	DTXSID2021026				2	2	2	2.301029996	1.903089987	1.954242509	1.84509804	1.954242509
C92524	92-52-4	Biphenyl	DTXSID4020161				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C92682	92-68-2	4-Cyclohexylcyclohexanone	DTXSID8040721	1.698970004	1.698970004	1.698970004	2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C92693	92-69-3	4-Phenylphenol	DTXSID7021152	1.698970004	1	1.698970004	2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C92842	92-84-2	Phenothiazine	DTXSID5021126				2	2	2	2.301029996	1.602059991	1.698970004	1.602059991	1.698970004
C92875	92-87-5	Benzidine	DTXSID2020137		1.698970004		2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C928961	928-96-1	(Z)-3-Hexen-1-ol	DTXSID6022137				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C929599	929-59-9	"2,2'-[Ethane-1,2-diylbis(oxy)]diethanamine"	DTXSID9044742				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C929601092	929601-09-2	SR58611	DTXSID1047360				1.954242509	1.954242509	1.954242509	1.84509804	1.84509804	1.903089987	1.84509804	1.903089987
C930552	930-55-2	N-Nitrosopyrrolidine	DTXSID8021062		1.698970004		2	2	2	2.301029996	1.903089987	2	1.903089987	1.954242509
C93083	93-08-3	2'-Acetonaphthone	DTXSID2041389				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C93152	93-15-2	Methyleugenol	DTXSID5025607				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C93561	93-56-1	Styrene glycol	DTXSID8042422				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C93652	93-65-2	Mecoprop	DTXSID9024194				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C93765	93-76-5	"2,4,5-Trichlorophenoxyacetic acid"	DTXSID5021388				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C938169	938-16-9	tert-Butyl phenyl ketone	DTXSID1048209				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C93890	93-89-0	Ethyl benzoate	DTXSID3038696		1.698970004		2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C93925	93-92-5	(+/-)-alpha-Methylbenzyl acetate	DTXSID6041636	1.698970004	1	1.698970004	2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C93992	93-99-2	Phenyl benzoate	DTXSID0048210				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C94086	94-08-6	Ethyl 4-methylbenzoate	DTXSID5048211				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C94097	94-09-7	Benzocaine	DTXSID8021804		1.698970004		2	2	2	2.301029996	1.301029996	1.301029996	1.301029996	1.954242509
C94133	94-13-3	Propylparaben	DTXSID4022527		1.698970004		2	2	2	2.301029996	1.602059991	1.954242509	1.602059991	1.954242509
C941695	941-69-5	"1-Phenyl-1H-pyrrole-2,5-dione"	DTXSID0041274				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C94188	94-18-8	Benzylparaben	DTXSID9022526		1.698970004		2	2	2	2.301029996	1.602059991	1.954242509	1.903089987	1.698970004
C94268	94-26-8	Butylparaben	DTXSID3020209		1.698970004	1.698970004	2	2	2	2.301029996	1.602059991	1.954242509	1.602059991	1.698970004
C94280	94-28-0	Triethylene glycol bis(2-ethylhexanoate)	DTXSID3026564				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C94361065	94361-06-5	Cyproconazole	DTXSID0032601	1.698970004	1.698970004	1.698970004	2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C94462	94-46-2	Isopentyl benzoate	DTXSID8047185				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C94473	94-47-3	2-Phenylethyl benzoate	DTXSID9047590				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C94597	94-59-7	Safrole	DTXSID0021254				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C94600	94-60-0	Dimethyl hexahydroterephthalate	DTXSID3026566				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C94713	94-71-3	2-Ethoxyphenol	DTXSID2042276				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C94746	94-74-6	MCPA	DTXSID4024195				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C94757	94-75-7	"2,4-Dichlorophenoxyacetic acid"	DTXSID0020442	1.698970004		1.698970004	2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C94804	94-80-4	"2,4-D 1-butyl ester"	DTXSID5020443				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C94815	94-81-5	MCPB	DTXSID4024193				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C94826	94-82-6	"2,4-DB"	DTXSID7024035	1.698970004		1.698970004	2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C94917	94-91-7	"N,N'-Disalicylidene-1,2-diaminopropane"	DTXSID2041200				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C94962	94-96-2	"2-Ethyl-1,3-hexanediol"	DTXSID4025292				2	2	2	2.301029996	1.903089987	1.698970004	1.602059991	1.954242509
C950378	950-37-8	Methidathion	DTXSID5020819	1.698970004		1.698970004	2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C95136	95-13-6	Indene	DTXSID8042052				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C95147	95-14-7	"1,2,3-Benzotriazole"	DTXSID6020147				2	2	2	2.301029996	1.84509804	1.954242509	1.903089987	1.954242509
C95169	95-16-9	Benzothiazole	DTXSID7024586				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C95266403	95266-40-3	Trinexapac-ethyl	DTXSID9032535				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C95385	95-38-5	2-(8-Heptadecenyl)-2-imidazoline-1-ethanol	DTXSID2036112		1.698970004	1.698970004	2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C95487	95-48-7	o-Cresol	DTXSID8021808				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C95498	95-49-8	2-Chlorotoluene	DTXSID8023977				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C95501	95-50-1	"1,2-Dichlorobenzene"	DTXSID6020430				2	2	2	2.301029996	1.602059991	1.698970004	1.602059991	1.954242509
C95534	95-53-4	2-Methylaniline	DTXSID1026164				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C95545	95-54-5	"1,2-Phenylenediamine"	DTXSID3025881	1.698970004			2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C95578	95-57-8	2-Chlorophenol	DTXSID5021544				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C95636	95-63-6	"1,2,4-Trimethylbenzene"	DTXSID6021402				2	2	2	2.301029996	1.84509804	1.954242509	1.84509804	2
C95658	95-65-8	"3,4-Dimethylphenol"	DTXSID4024062				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C95737681	95737-68-1	Pyriproxyfen	DTXSID1032640	1.698970004		1.698970004	2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C95749	95-74-9	3-Chloro-4-methylaniline	DTXSID0020286		1.698970004		2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C957517	957-51-7	Diphenamid	DTXSID8024072				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C95761	95-76-1	"3,4-Dichloroaniline"	DTXSID7021815		1.698970004		2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C95807	95-80-7	"2,4-Diaminotoluene"	DTXSID4020402				2	2	2	2.301029996	1.84509804	1.954242509	1.84509804	1.954242509
C95830	95-83-0	"4-Chloro-1,2-diaminobenzene"	DTXSID5020283	1.698970004	1.698970004		2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C95874	95-87-4	"2,5-Dimethylphenol"	DTXSID6025145				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C95932	95-93-2	"1,2,4,5-Tetramethylbenzene"	DTXSID1029124				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C95943	95-94-3	"1,2,4,5-Tetrachlorobenzene"	DTXSID7024320				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C95954	95-95-4	"2,4,5-Trichlorophenol"	DTXSID4024359		1.698970004		2	2	2	2.301029996	1.602059991	1.698970004	1.602059991	1.954242509
C959988	959-98-8	Endosulfan I	DTXSID9037539				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C960714	960-71-4	Triphenylborane	DTXSID6027345		1.698970004		2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C96093	96-09-3	Styrene oxide	DTXSID2021286	1.698970004			2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C96182535	96182-53-5	Tebupirimfos	DTXSID1032482				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C96184	96-18-4	"1,2,3-Trichloropropane"	DTXSID9021390				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C96231	96-23-1	"1,3-Dichloro-2-propanol"	DTXSID6025010				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C96242	96-24-2	"3-Chloro-1,2-propanediol"	DTXSID4020664				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C962583	962-58-3	Diazoxon	DTXSID5037523	1.698970004		1.698970004	2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C96297	96-29-7	2-Butanone oxime	DTXSID1021821	1.698970004			2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C96413	96-41-3	Cyclopentanol	DTXSID1033371				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C96457	96-45-7	Ethylene thiourea	DTXSID5020601			1.698970004	2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C96480	96-48-0	4-Butyrolactone	DTXSID6020224				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C96489713	96489-71-3	Pyridaben	DTXSID5032573				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C96708	96-70-8	2-tert-Butyl-4-ethylphenol	DTXSID4044581				2	2	2	1.84509804	1.903089987	1.954242509	1.903089987	1.954242509
C96764	96-76-4	"2,4-Di-tert-butylphenol"	DTXSID2026602	1.698970004			2	2	2	1.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C96833	96-83-3	Iopanoic acid	DTXSID6023159				1.954242509	1.954242509	1.954242509	2.301029996	1.301029996	1.301029996	1.301029996	1.903089987
C97007	97-00-7	"1-Chloro-2,4-dinitrobenzene"	DTXSID6020278		1.698970004	1.698970004	2	2	2	0.84509804	1.903089987	1.954242509	1.903089987	1.954242509
C97234	97-23-4	Dichlorophen	DTXSID6021824		1.698970004	1.698970004	2	2	2	1.301029996	1.602059991	1.698970004	1.903089987	1.954242509
C97322877	97322-87-7	Troglitazone	DTXSID8023719			1.698970004	2	2	2	1.301029996	1.602059991	1.698970004	1.903089987	1.954242509
C97529	97-52-9	2-Methoxy-4-nitroaniline	DTXSID0038700				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C97530	97-53-0	Eugenol	DTXSID9020617		1.698970004		2	2	2	2.301029996	1.903089987	1.698970004	1.602059991	1.954242509
C97541	97-54-1	Isoeugenol	DTXSID7022413				2	2	2	2.301029996	1.602059991	1.698970004	1.602059991	1.698970004
C97563	97-56-3	2-Amino-5-azotoluene	DTXSID1020069			1.698970004	2	2	2	1.84509804	1.903089987	1.954242509	1.903089987	1.954242509
C97596	97-59-6	Allantoin	DTXSID3020043				2	2	2	2.301029996	1.301029996	1.954242509	1.301029996	1.954242509
C97778	97-77-8	Disulfiram	DTXSID1021322				2	2	2	2.301029996	1.602059991	1.698970004	1.903089987	1.954242509
C97789	97-78-9	N-Dodecanoyl-N-methylglycine	DTXSID7042011				2	2	2	2.301029996	1.84509804	1.954242509	1.84509804	1.954242509
C97886458	97886-45-8	Dithiopyr	DTXSID9032379				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C97994	97-99-4	Tetrahydrofurfuryl alcohol	DTXSID1029128				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C98000	98-00-0	Furfuryl alcohol	DTXSID2025347				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C98011	98-01-1	Furfural	DTXSID1020647				2	2	2	2.301029996	1.602059991	1.698970004	1.602059991	1.954242509
C98066	98-06-6	tert-Butylbenzene	DTXSID3047138				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C98077	98-07-7	Benzotrichloride	DTXSID1020148				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C98319267	98319-26-7	Finasteride	DTXSID3020625		1.698970004		2	2	2	2.301029996	1.301029996	1.301029996	1.903089987	1.698970004
C98511	98-51-1	4-tert-Butyltoluene	DTXSID1024704				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C98522	98-52-2	4-tert-Butylcyclohexanol	DTXSID5026623				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C98533	98-53-3	4-tert-Butylcyclohexanone	DTXSID7044394				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C98544	98-54-4	4-tert-Butylphenol	DTXSID1020221				2	2	2	2.301029996	1.602059991	1.698970004	1.602059991	1.954242509
C98566	98-56-6	1-Chloro-4-(trifluoromethyl)benzene	DTXSID7024821				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C98730042	98730-04-2	Benoxacor	DTXSID3029572				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C98862	98-86-2	Acetophenone	DTXSID6021828				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C98873	98-87-3	Benzal chloride	DTXSID6025014				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C98886443	98886-44-3	Fosthiazate	DTXSID0034930				2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C98920	98-92-0	Niacinamide	DTXSID2020929				2	2	2	2.301029996	1.903089987	1.698970004	1.903089987	2
C989388	989-38-8	Rhodamine 6G	DTXSID1021243			1.698970004	2	2	2	1.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C98953	98-95-3	Nitrobenzene	DTXSID3020964				2	2	2	2.301029996	1.602059991	1.698970004	1.903089987	1.954242509
C98967409	98967-40-9	Flumetsulam	DTXSID4032615				2	2	2	1.698970004	1.903089987	1.954242509	1.903089987	1.954242509
C99070	99-07-0	3-Dimethylaminophenol	DTXSID0025101				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C99081	99-08-1	3-Nitrotoluene	DTXSID5021831				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C99309	99-30-9	Dicloran	DTXSID2020426		1.698970004		2	2	2	2	1.903089987	1.954242509	1.903089987	1.954242509
C99514	99-51-4	"1,2-Dimethyl-4-nitrobenzene"	DTXSID2025133				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C99547	99-54-7	"3,4-Dichloronitrobenzene"	DTXSID8024999				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C99558	99-55-8	2-Methyl-5-nitroaniline	DTXSID4020959		1.698970004		2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C99592	99-59-2	2-Methoxy-5-nitroaniline	DTXSID0020943				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C99607702	99607-70-2	Cloquintocet-mexyl	DTXSID3041794				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C99627	99-62-7	"1,3-Diisopropylbenzene"	DTXSID8026640				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C99638	99-63-8	"1,3-Benzenedicarbonyl dichloride"	DTXSID3026641				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C99650	99-65-0	"1,3-Dinitrobenzene"	DTXSID9024065				2	2	2	2.301029996	1.602059991	1.698970004	1.602059991	2
C99661	99-66-1	Valproic acid	DTXSID6023733				2	2	2	2.301029996	1.602059991	1.698970004	1.602059991	1.954242509
C99718	99-71-8	4-(Butan-2-yl)phenol	DTXSID7022332		1.698970004		2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C99763	99-76-3	Methylparaben	DTXSID4022529				2	2	2	2.301029996	1.602059991	1.698970004	1.602059991	1.954242509
C99854	99-85-4	gamma-Terpinene	DTXSID6041210				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C99865	99-86-5	alpha-Terpinene	DTXSID9041237				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C99876	99-87-6	p-Cymene	DTXSID3026645				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C99898	99-89-8	4-Isopropylphenol	DTXSID5042299				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C99934	99-93-4	4-Hydroxyacetophenone	DTXSID0029133				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C99967	99-96-7	4-Hydroxybenzoic acid	DTXSID3026647				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C99978	99-97-8	"N,N,4-Trimethylaniline"	DTXSID0021832				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C99990	99-99-0	4-Nitrotoluene	DTXSID5023792				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
C999973	999-97-3	Hexamethyldisilazane	DTXSID2025395				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
CNOCAS34742	NOCAS_34742	"Milbemectin (mixture of 70% Milbemcin A4, 30% Milbemycin A3)"	DTXSID8034742		1.698970004		2	2	2	0.698970004	1.903089987	1.954242509	1.903089987	1.954242509
CNOCAS47248	NOCAS_47248	CI-1018	DTXSID0047248				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
CNOCAS47255	NOCAS_47255	CP-465394	DTXSID9047255				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
CNOCAS47265	NOCAS_47265	CP-471358	DTXSID3047265				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
CNOCAS47267	NOCAS_47267	CP-642931	DTXSID3047267				1.698970004	1.698970004	1.698970004	2	1.602059991	1.698970004	1.602059991	1.698970004
CNOCAS47291	NOCAS_47291	CI-1044	DTXSID5047291				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
CNOCAS47292	NOCAS_47292	PD 0200347	DTXSID0047292				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
CNOCAS47299	NOCAS_47299	CP-422935	DTXSID5047299				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
CNOCAS47305	NOCAS_47305	CP-608039	DTXSID2047305				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
CNOCAS47311	NOCAS_47311	GSK163929B	DTXSID6047311		1.698970004		2	2	2	1.301029996	1.903089987	1.954242509	1.903089987	1.954242509
CNOCAS47325	NOCAS_47325	SB413217A	DTXSID0047325		1.301029996		1.698970004	1.698970004	1.698970004	1.954242509	1.602059991	1.602059991	1.602059991	1.602059991
CNOCAS47328	NOCAS_47328	MK-274	DTXSID5047328				2	2	2	1.84509804	1.903089987	1.954242509	1.903089987	1.954242509
CNOCAS47330	NOCAS_47330	PharmaGSID_47330	DTXSID9047330				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
CNOCAS47333	NOCAS_47333	PharmaGSID_47333	DTXSID4047333				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
CNOCAS47334	NOCAS_47334	MK-968	DTXSID9047334				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
CNOCAS47342	NOCAS_47342	SR125047	DTXSID3047342				1.954242509	1.954242509	1.954242509	1.301029996	1.84509804	1.903089987	1.84509804	1.903089987
CNOCAS47346	NOCAS_47346	SSR162369	DTXSID3047346				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
CNOCAS47351	464930-42-5	SSR240612	DTXSID2047351	1.698970004	1.698970004	1.698970004	2	2	2	1.301029996	1.84509804	1.954242509	1.84509804	1.954242509
CNOCAS47353	NOCAS_47353	SSR241586	DTXSID2047353		1.698970004		1.954242509	1.954242509	1.954242509	0	1.84509804	1.954242509	1.84509804	1.954242509
CNOCAS47362	NOCAS_47362	SSR150106	DTXSID1047362				2	2	2	1.301029996	1.903089987	1.954242509	1.903089987	1.954242509
CNOCAS47364	1075752-90-7	SSR103800	DTXSID1047364				2	2	2	1.301029996	2	2	2	2
CNOCAS47366	NOCAS_47366	SAR115740	DTXSID1047366	1.698970004			2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
CNOCAS47374	NOCAS_47374	SSR161421	DTXSID5047374				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
CNOCAS47377	NOCAS_47377	AVE6324	DTXSID0047377	1.698970004	1.698970004	1.698970004	1.954242509	1.954242509	1.954242509	1.301029996	1.84509804	1.954242509	1.84509804	1.954242509
CNOCAS47379	NOCAS_47379	SSR126768	DTXSID0047379		1.698970004		1.954242509	1.954242509	1.954242509	2.301029996	1.84509804	1.954242509	1.84509804	1.954242509
CNOCAS47383	NOCAS_47383	AVE3247	DTXSID4047383				1.301029996	1.301029996	1.301029996	1.301029996	1.301029996	1.301029996	1.301029996	1.301029996
CNOCAS47385	NOCAS_47385	SAR377142	DTXSID4047385				1.954242509	1.954242509	1.954242509	2.301029996	1.84509804	1.903089987	1.84509804	1.903089987
CNOCAS47387	NOCAS_47387	SAR102779	DTXSID4047387				1.903089987	1.903089987	1.903089987	1.84509804	1.77815125	1.903089987	1.77815125	1.903089987
CNOCAS47389	433212-21-6	SAR150640	DTXSID4047389				1.954242509	1.954242509	1.954242509	1.84509804	1.84509804	1.954242509	1.84509804	1.954242509
CNOCAS47394	NOCAS_47394	Grinstad Soft-N-Safe	DTXSID3047394				1.698970004	1.698970004	1.698970004	2	1.602059991	1.698970004	1.602059991	1.698970004
CNOCAS47708	NOCAS_47708	Igepal CO-890	DTXSID9047708				1.698970004	1.698970004	1.698970004	2	2	2	2	2
CNOCAS47796	NOCAS_47796	Formalin	DTXSID5047796				2	2	2	2.301029996	1.903089987	1.698970004	1.602059991	2
CNOCAS48166	NOCAS_48166	"3,9-Epoxy-3H-azirino[2,3-c][1]benzazocine-5-carboxaldehyde, 1-acetyl-9-(acetyloxy)-8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,9,9a-hexahydro-7-methoxy-, (1aS,8R,9S,9aS)-"	DTXSID7048166				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
CNOCAS48172	NOCAS_48172	PharmaGSID_48172	DTXSID1048172				1.903089987	1.903089987	1.903089987	2.301029996	1.77815125	1.903089987	1.77815125	1.903089987
CNOCAS48176	NOCAS_48176	YM218	DTXSID1048176				1.477121255	1.477121255	1.77815125	1.84509804	1.477121255	1.477121255	1.477121255	1.477121255
CNOCAS48505	NOCAS_48505	PharmaGSID_48505	DTXSID0048505				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
CNOCAS48507	NOCAS_48507	PharmaGSID_48507	DTXSID0048507	1.698970004			2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
CNOCAS48509	NOCAS_48509	PharmaGSID_48509	DTXSID0048509				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
CNOCAS48514	NOCAS_48514	PharmaGSID_48514	DTXSID9048514				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
CNOCAS48516	NOCAS_48516	PharmaGSID_48516	DTXSID9048516				2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
CNOCAS48518	NOCAS_48518	PharmaGSID_48518	DTXSID9048518			1.698970004	2	2	2	2.301029996	1.903089987	1.954242509	1.903089987	1.954242509
