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											
C100016	100-01-6	4-Nitroaniline	DTXSID8020961		0.009845924									
C100027	100-02-7	4-Nitrophenol	DTXSID0021834								23.0489613	21.53604074		
C10016203	10016-20-3	alpha-Cyclodextrin	DTXSID7030698	8.054173292										
C100210	100-21-0	Terephthalic acid	DTXSID6026080											
C10025748	10025-74-8	Dysprosium(III) chloride	DTXSID8041909		5.479927739									
C100378	100-37-8	"N,N-Diethylethanolamine"	DTXSID5021837											
C10042598	10042-59-8	2-Propyl-1-heptanol	DTXSID9029302											
C10043353	10043-35-3	Boric acid	DTXSID1020194											
C100516	100-51-6	Benzyl alcohol	DTXSID5020152											
C100549	100-54-9	3-Pyridinecarbonitrile	DTXSID1026665						4.102518982					
C100641	100-64-1	Cyclohexanone oxime	DTXSID4021842						0.552728803					
C1007289	1007-28-9	Deisopropylatrazine	DTXSID0037495			6.171069205								
C10081671	10081-67-1	4-(2-Phenylpropan-2-yl)-N-[4-(2-phenylpropan-2-yl)phenyl]aniline	DTXSID0027721											
C1008726	1008-72-6	Sodium 2-formylbenzenesulfonate	DTXSID5041643											
C10094345	10094-34-5	"1,1-Dimethyl-2-phenylethyl butanoate"	DTXSID5038830											
C100970	100-97-0	Methenamine	DTXSID6020692											
C101020	101-02-0	Triphenyl phosphite	DTXSID0026252											
C101053	101-05-3	Anilazine	DTXSID9020089											
C101100	101-10-0	Cloprop	DTXSID9034232											24.03059091
C101202	101-20-2	Triclocarban	DTXSID4026214					-1.034464609	1.820164809				-0.594619065	-2.942317394
C101213	101-21-3	Chlorpropham	DTXSID7020764	-2.05143003										-4.482573451
C101371	101-37-1	"2,4,6-Tris(allyloxy)-1,3,5-triazine"	DTXSID8037754											
C101428	101-42-8	Fenuron	DTXSID7037551											
C101463698	101463-69-8	Flufenoxuron	DTXSID1041978										-4.995334906	-4.777666856
C101542	101-54-2	"N-Phenyl-1,4-benzenediamine"	DTXSID7025895										-1.021290385	
C101553	101-55-3	p-Bromodiphenyl ether	DTXSID8023927										-0.065561043	
C101611	101-61-1	"4,4'-Methylenebis(N,N-dimethylaniline)"	DTXSID5020869											
C10161338	10161-33-8	17beta-Trenbolone	DTXSID0034192	15.48187335	10.9496888	10.26002756	14.58261612	13.1250653	5.668349318	7.699857725	12.97466617	20.59402223	-1.960082967	
C101779	101-77-9	"4,4'-Methylenedianiline"	DTXSID6022422											
C101804	101-80-4	"4,4'-Oxydianiline"	DTXSID0021094											
C101815	101-81-5	Diphenylmethane	DTXSID1041891											
C101837	101-83-7	Dicyclohexylamine	DTXSID6025018											
C101848	101-84-8	Diphenyl oxide	DTXSID9021847											
C101860	101-86-0	2-Benzylideneoctanal	DTXSID4026684						3.613276534					
C102067	102-06-7	"1,3-Diphenylguanidine"	DTXSID3025178					-0.618239761						0.916600103
C10222012	10222-01-2	"2,2-Dibromo-3-nitrilopropionamide"	DTXSID5032361											
C102272	102-27-2	N-Ethyl-3-methylaniline	DTXSID4021848											
C1024573	1024-57-3	Heptachlor epoxide	DTXSID1024126				-1.892245116	-1.993271615					-1.877671473	
C102603	102-60-3	"N,N,N',N'-Tetrakis(2-Hydroxypropyl)ethylenediamine"	DTXSID9026689											
C10265926	10265-92-6	Methamidophos	DTXSID6024177											
C102676313	102676-31-3	Fadrozole hydrochloride	DTXSID4020618											
C102716	102-71-6	Triethanolamine	DTXSID9021392						3.693767532					
C102761	102-76-1	Triacetin	DTXSID3026691											
C102829	102-82-9	Tributylamine	DTXSID4026183											
C103055078	103055-07-8	Lufenuron	DTXSID5034357											5.688968576
C103093	103-09-3	2-Ethylhexyl acetate	DTXSID8026694											
C1031078	1031-07-8	Endosulfan sulfate	DTXSID3037541										-0.602056639	-0.970786807
C103117	103-11-7	2-Ethylhexyl acrylate	DTXSID9025297											
C103231	103-23-1	Di(2-ethylhexyl) adipate	DTXSID0020606											
C103242	103-24-2	Bis(2-ethylhexyl) nonanedioate	DTXSID3026697											6.617319513
C103333	103-33-3	Azobenzene	DTXSID8020123						9.341925046					
C103344	103-34-4	"4,4'-Dithiodimorpholine"	DTXSID8026698				-6.026716762	-6.449077048					-6.047424786	
C103361097	103361-09-7	Flumioxazin	DTXSID7032555											
C1034011	1034-01-1	Octyl gallate	DTXSID4040713			4.174701596		-0.034315665			-0.647360646		3.531330902	1.964112574
C103413	103-41-3	Benzyl cinnamate	DTXSID3041663											
C103651	103-65-1	Propylbenzene	DTXSID3042219											
C103695	103-69-5	N-Ethylaniline	DTXSID1025271											
C103764	103-76-4	1-Piperazineethanol	DTXSID3021853											
C103902	103-90-2	Acetaminophen	DTXSID2020006											
C104098488	104098-48-8	Imazapic	DTXSID5034270											
C104132	104-13-2	4-Butylaniline	DTXSID8021856											
C104206828	104206-82-8	Mesotrione	DTXSID7032424		5.856633459									
C104405	104-40-5	4-Nonylphenol	DTXSID5033836					-1.406070365					-0.850493527	
C104438	104-43-8	4-Dodecylphenol	DTXSID1022508				-0.078533054	-0.432277322					-0.371181277	-1.081457517
C104450	104-45-0	4-Propylanisole	DTXSID0042325											
C104518	104-51-8	Butylbenzene	DTXSID6022472											
C10453868	10453-86-8	Resmethrin	DTXSID7022253			-1.070111926	-1.94401458	-1.931249683						10.70119867
C104541	104-54-1	3-Phenyl-2-propen-1-ol	DTXSID9041491											
C104610	104-61-0	gamma-Nonanolactone	DTXSID0034229											
C104665	104-66-5	"1,2-Diphenoxyethane"	DTXSID5026706											
C104676	104-67-6	5-Heptyldihydro-2(3H)-furanone	DTXSID4034287											
C104767	104-76-7	2-Ethyl-1-hexanol	DTXSID5020605											
C104795688	104795-68-8	CI-959	DTXSID8047268	-1.250529912	-0.486407008					-3.702860737			-2.407528815	
C105215	105-21-5	"1,4-Heptanolide"	DTXSID5047611											
C105373	105-37-3	Ethyl propionate	DTXSID1040110											
C10540291	10540-29-1	Tamoxifen	DTXSID1034187	4.593631156			-0.920270489	0.033851535			-2.004408064		-0.613133319	-1.188177153
C105512069	105512-06-9	Clodinafop-propargyl	DTXSID6032354											
C105533	105-53-3	Diethyl propanedioate	DTXSID7021863											
C105544	105-54-4	Ethyl butyrate	DTXSID6040111											
C105555	105-55-5	"N,N'-Diethylthiourea"	DTXSID8020466											
C105602	105-60-2	Caprolactam	DTXSID4020240											4.145535969
C105624860	105624-86-0	5HPP-33	DTXSID1046970				-2.163850874	-1.442109245					0.046856989	-1.516162544
C105679	105-67-9	"2,4-Dimethylphenol"	DTXSID2021864											
C105873	105-87-3	Geranyl acetate	DTXSID0020654											
C105997	105-99-7	Dibutyl hexanedioate	DTXSID2021866											
C10605217	10605-21-7	Carbendazim	DTXSID4024729					0.836885934						
C1061517621	1061517-62-1	PharmaGSID_47337	DTXSID4047337		-0.374179706	0.179746417		0.018575092					-1.284860277	
C1062243519	1062243-51-9	PharmaGSID_48511	DTXSID4048511				-1.27251226	-0.656769544					10.85390336	
C106229	106-22-9	Citronellol	DTXSID3026726											
C106230	106-23-0	Citronellal	DTXSID3041790											
C106241	106-24-1	Geraniol	DTXSID8026727											
C106252	106-25-2	"(2Z)-3,7-Dimethylocta-2,6-dien-1-ol"	DTXSID3026728											
C106274	106-27-4	Isopentyl butyrate	DTXSID3042059											
C106309	106-30-9	Ethyl heptanoate	DTXSID1040112											
C106434	106-43-4	4-Chlorotoluene	DTXSID8024814											
C106445	106-44-5	p-Cresol	DTXSID7021869											
C106456	106-45-6	4-Thiocresol	DTXSID5048188				4.557400885	3.567060105						
C106467	106-46-7	"1,4-Dichlorobenzene"	DTXSID1020431											
C106478	106-47-8	4-Chloroaniline	DTXSID9020295											
C106489	106-48-9	4-Chlorophenol	DTXSID1021871											
C106490	106-49-0	4-Methylaniline	DTXSID6021872											
C106503	106-50-3	"1,4-Benzenediamine"	DTXSID9021138		-5.017320288									
C106650	106-65-0	Dimethyl succinate	DTXSID5025152											
C106683	106-68-3	3-Octanone	DTXSID3041954											
C1067250	1067-25-0	Trimethoxypropylsilane	DTXSID6042494											
C1067534	1067-53-4	Tris(2-methoxyethoxy)vinylsilane	DTXSID5027356							7.818959545				
C106876	106-87-6	4-Vinyl-1-cyclohexene dioxide	DTXSID0020604											
C1068967963	1068967-96-3	SAR102608	DTXSID8047391										-0.911995354	-0.915754784
C106934	106-93-4	"1,2-Dibromoethane"	DTXSID3020415											
C107071669	107071-66-9	Ro 23-7637	DTXSID9048512					-0.834978938						-1.003066779
C107073	107-07-3	2-Chloroethanol	DTXSID1021877											
C107131	107-13-1	Acrylonitrile	DTXSID5020029						3.848916432					
C107186	107-18-6	Allyl alcohol	DTXSID8020044											
C107200	107-20-0	Chloroacetaldehyde	DTXSID4020292											
C107211	107-21-1	Ethylene glycol	DTXSID8020597											
C1072157	1072-15-7	"Sulfuric acid, monononyl ester, sodium salt"	DTXSID7047487											
C107302	107-30-2	Chloromethyl methyl ether	DTXSID6020307						10.21900642					
C107415	107-41-5	"2-Methyl-2,4-pentanediol"	DTXSID5021885											
C107460	107-46-0	Hexamethyldisiloxane	DTXSID4026769											
C107517	107-51-7	Octamethyltrisiloxane	DTXSID9040710											
C107534963	107534-96-3	Tebuconazole	DTXSID9032113	4.829254052	2.919767617		0.899779665	0.533819604					1.863294484	2.106081643
C107540	107-54-0	"3,5-Dimethyl-1-hexyn-3-ol"	DTXSID6041472											
C1076977	1076-97-7	"1,4-Cyclohexanedicarboxylic acid"	DTXSID2038788						9.15961915					
C107755	107-75-5	"7-Hydroxy-3,7-dimethyloctanal"	DTXSID6042232											
C107879	107-87-9	2-Pentanone	DTXSID0021888											
C107880	107-88-0	"1,3-Butanediol"	DTXSID8026773											
C107926	107-92-6	Butanoic acid	DTXSID8021515											
C107982	107-98-2	1-Methoxy-2-propanol	DTXSID8024284											
C108010	108-01-0	Dimethylaminoethanol	DTXSID2020505						8.020934743					
C108112	108-11-2	4-Methyl-2-pentanol	DTXSID2026781											
C108214	108-21-4	Isopropyl acetate	DTXSID2025478											
C108327	108-32-7	Propylene carbonate	DTXSID2026789											
C108383	108-38-3	m-Xylene	DTXSID6026298						9.340752415					
C108394	108-39-4	m-Cresol	DTXSID6024200											
C108419336	108419-33-6	"Acetic acid, C8-10-branched alkyl esters, C9-rich"	DTXSID0029848											
C108441	108-44-1	3-Methylaniline	DTXSID1026792											
C108452	108-45-2	"1,3-Benzenediamine"	DTXSID4021137											
C108463	108-46-3	Resorcinol	DTXSID2021238											
C1085127	1085-12-7	Heptylparaben	DTXSID4022523				-6.630524108	-6.661346612						
C108598	108-59-8	Dimethyl malonate	DTXSID4029145						4.103589658					
C108678	108-67-8	"1,3,5-Trimethylbenzene"	DTXSID6026797									4.244080769		
C108689	108-68-9	"3,5-Dimethylphenol"	DTXSID1025148											
C108770	108-77-0	"2,4,6-Trichloro-s-triazine"	DTXSID6026799											
C108805	108-80-5	Cyanuric acid	DTXSID7024873						5.26796134					
C108838	108-83-8	Diisobutyl ketone	DTXSID4025080											
C108918	108-91-8	Cyclohexylamine	DTXSID1023996											
C108930	108-93-0	Cyclohexanol	DTXSID4021894											
C108941	108-94-1	Cyclohexanone	DTXSID6020359											
C108952	108-95-2	Phenol	DTXSID5021124											
C108985	108-98-5	Benzenethiol	DTXSID7026811											
C108996	108-99-6	3-Methylpyridine	DTXSID9021897											
C109024	109-02-4	4-Methylmorpholine	DTXSID9029146							2.710218648				
C109433	109-43-3	Dibutyl decanedioate	DTXSID1041847											
C109466	109-46-6	"N,N'-Dibutylthiourea"	DTXSID8042187										4.850987065	
C109524	109-52-4	Pentanoic acid	DTXSID7021655											
C109557	109-55-7	3-(Dimethylamino)propylamine	DTXSID5025102											
C1095905	1095-90-5	Methadone hydrochloride	DTXSID2020501											
C109773	109-77-3	Propanedinitrile	DTXSID6021907								5.421894636			
C109864	109-86-4	2-Methoxyethanol	DTXSID5024182											
C110054	110-05-4	Di-tert-butyl peroxide	DTXSID2024955											
C110123	110-12-3	5-Methyl-2-hexanone	DTXSID5021914											
C110156	110-15-6	Butanedioic acid	DTXSID6023602											
C110167	110-16-7	Maleic acid	DTXSID8021517											
C110178	110-17-8	Fumaric acid	DTXSID3021518											
C110235477	110235-47-7	Mepanipyrim	DTXSID4042121										-0.82914125	
C110258	110-25-8	Oleyl sarcosine	DTXSID5042243			-1.622222225								
C110269	110-26-9	"N,N'-Methylenebisacrylamide"	DTXSID8025595											
C110270	110-27-0	Isopropyl tetradecanoic acid	DTXSID0026838						8.37413794					
C110338	110-33-8	Dihexyl hexanedioate	DTXSID9026841											
C110429	110-42-9	Methyl decanoate	DTXSID4026842											
C110430	110-43-0	2-Heptanone	DTXSID5021916											
C110441	110-44-1	Sorbic acid	DTXSID3021277											
C110488705	110488-70-5	Dimethomorph	DTXSID7034545	2.26465775	-1.325046601									2.370469806
C110623	110-62-3	Pentanal	DTXSID7021653											
C110634	110-63-4	"1,4-Butanediol"	DTXSID2024666											
C110656	110-65-6	"2-Butyne-1,4-diol"	DTXSID4021921											
C110690	110-69-0	Butanal oxime	DTXSID2024664						7.633275201					
C110736	110-73-6	2-(Ethylamino)ethanol	DTXSID9021922											
C110805	110-80-5	2-Ethoxyethanol	DTXSID7024087											
C110850	110-85-0	Piperazine	DTXSID1021164											
C110872	110-87-2	"3,4-Dihydro-2H-pyran"	DTXSID6041426											
C110918	110-91-8	Morpholine	DTXSID2025688											
C110974	110-97-4	Diisopropanolamine	DTXSID8020179											
C11099073	11099-07-3	Glyceryl stearates	DTXSID9029304											
C111115	111-11-5	Methyl octanoate	DTXSID2026864											
C111148	111-14-8	Heptanoic acid	DTXSID2021600											
C111159	111-15-9	2-Ethoxyethyl acetate	DTXSID9021928											
C1111780	1111-78-0	Ammonium carbamate	DTXSID9027360											
C111206	111-20-6	Decanedioic acid	DTXSID7026867											
C111217	111-21-7	Triethylene glycol diacetate	DTXSID3026223											
C1112396	1112-39-6	Dimethoxydimethylsilane	DTXSID0042379											
C111273	111-27-3	1-Hexanol	DTXSID8021931											
C111308	111-30-8	Glutaraldehyde	DTXSID6025355	2.285408977					6.591446271					
C111400	111-40-0	Diethylenetriamine	DTXSID2025050											
C111422	111-42-2	Diethanolamine	DTXSID3021932											
C111444	111-44-4	Bis(2-chloroethyl) ether	DTXSID9020168											
C111466	111-46-6	Diethylene glycol	DTXSID8020462											
C1114712	1114-71-2	Pebulate	DTXSID8021199											
C111499	111-49-9	Hexamethyleneimine	DTXSID1026879											
C111557	111-55-7	"1,2-Ethanediol diacetate"	DTXSID0026880											
C111626	111-62-6	Ethyl oleate	DTXSID3047633											
C111693	111-69-3	Hexanedinitrile	DTXSID3021936											
C111706	111-70-6	1-Heptanol	DTXSID8021937											
C111717	111-71-7	Heptanal	DTXSID0021597											
C111762	111-76-2	2-Butoxyethanol	DTXSID1024097											
C111773	111-77-3	Diethylene glycol monomethyl ether	DTXSID3025049											
C111812589	111812-58-9	"Fenpyroximate (Z,E)"	DTXSID2032550				-2.853440369	-4.249030727					-0.946134419	9.96590203
C111820	111-82-0	Methyl dodecanoate	DTXSID5026889											
C111842	111-84-2	Nonane	DTXSID9025796											
C1118463	1118-46-3	Butyltin trichloride	DTXSID0029210		5.274892883									
C111875	111-87-5	1-Octanol	DTXSID7021940											
C1118929	1118-92-9	"N,N-Dimethyloctanamide"	DTXSID9027364											
C111900	111-90-0	2-(2-Ethoxyethoxy)ethanol	DTXSID2021941											
C1119400	1119-40-0	Dimethyl glutarate	DTXSID3025122											
C111966	111-96-6	Bis(2-methoxyethyl) ether	DTXSID1024621											
C111988499	111988-49-9	Thiacloprid	DTXSID7034961											
C111991094	111991-09-4	Nicosulfuron	DTXSID6034764											
C1120010	1120-01-0	Sodium hexyldecyl sulfate	DTXSID0042400			1.779529564								
C1120043	1120-04-3	Octadecyl sulfate sodium salt	DTXSID6047103											
C112005	112-00-5	Dodecyltrimethylammonium chloride	DTXSID1026900				-0.063829414	0.093404249					0.455474888	2.214697161
C1120214	1120-21-4	Undecane	DTXSID9021689											
C1120361	1120-36-1	1-Tetradecene	DTXSID4027367											
C112050	112-05-0	Nonanoic acid	DTXSID3021641											
C1120714	1120-71-4	"1,3-Propane sultone"	DTXSID8021195											
C112072	112-07-2	2-Butoxyethyl acetate	DTXSID1026904											
C112129	112-12-9	2-Undecanone	DTXSID2021943											
C112141	112-14-1	Octyl acetate	DTXSID8044202											
C112185	112-18-5	"N,N-Dimethyldodecan-1-amine"	DTXSID1026906	5.606400178			4.231341428							
C112226616	112226-61-6	Halofenozide	DTXSID4032619											
C112254	112-25-4	2-(Hexyloxy)ethanol	DTXSID1026908											
C112276	112-27-6	Triethylene glycol	DTXSID4021393											
C112281773	112281-77-3	Tetraconazole	DTXSID8034956	2.896058106	2.142418372		-1.492980763	-0.200679342					0.034876642	0.247034398
C112301	112-30-1	1-Decanol	DTXSID7021946											
C112312	112-31-2	Decanal	DTXSID4021553						0.732653066					
C112345	112-34-5	2-(2-Butoxyethoxy)ethanol	DTXSID8021519											
C112356	112-35-6	2-[2-(2-Methoxyethoxy)ethoxy]ethanol	DTXSID5026912											
C112389	112-38-9	10-Undecenoic acid	DTXSID8035001											
C112410238	112410-23-8	Tebufenozide	DTXSID4034948										-1.84996327	
C112425	112-42-5	1-Undecanol	DTXSID0026915											
C112492	112-49-2	Triethylene glycol dimethyl ether	DTXSID8026224											
C112505	112-50-5	2-[2-(2-Ethoxyethoxy)ethoxy]ethanol	DTXSID3024368											
C112529154	112529-15-4	Pioglitazone hydrochloride	DTXSID3044203											
C112538	112-53-8	1-Dodecanol	DTXSID5026918											
C112550	112-55-0	1-Dodecanethiol	DTXSID6025220											
C112607	112-60-7	Tetraethylene glycol	DTXSID9026922						4.820351122					
C112630	112-63-0	Methyl linoleate	DTXSID7020843	3.220818059	2.897971368	1.241601092	-1.136014139	-2.014139221			-1.349354374	0.843871826	-1.029121282	
C112709	112-70-9	1-Tridecanol	DTXSID2021947						5.983925304					
C112721	112-72-1	1-Tetradecanol	DTXSID9026926					-2.004675611	2.72771497					
C112733069	112733-06-9	Zenarestat	DTXSID0047296											
C112801	112-80-1	Oleic acid	DTXSID1025809											
C112809515	112809-51-5	Letrozole	DTXSID4023202		7.133325342									
C113136779	113136-77-9	Cyclanilide	DTXSID5032600										-1.089477431	
C1134232	1134-23-2	Cycloate	DTXSID6032356											
C113484	113-48-4	MGK-264	DTXSID6032562	-0.642649427				-1.52014098					-1.656845103	-1.647775201
C113734182	113734-18-2	CP-114271	DTXSID2047274											
C114078	114-07-8	Erythromycin	DTXSID4022991											
C114261	114-26-1	Propoxur	DTXSID7021948											
C114311329	114311-32-9	Imazamox	DTXSID3034664											
C1143380	1143-38-0	Anthralin	DTXSID7024538											
C114369436	114369-43-6	Fenbuconazole	DTXSID8032548				-0.065699932	-0.102489538					0.502796864	-0.458832722
C115286	115-28-6	Chlorendic acid	DTXSID2020268											
C115297	115-29-7	Endosulfan	DTXSID1020560				-0.232620675	-0.425062671					-0.187095213	-0.971263371
C115322	115-32-2	Dicofol	DTXSID4020450	0.733596289			-1.170252682	-0.630938452					-0.677824188	-0.630019032
C115399	115-39-9	Bromophenol blue	DTXSID6041682		-2.675890703	-2.330907945			-0.303844247					-3.283940369
C1156190	1156-19-0	Tolazamide	DTXSID3021358											
C115775	115-77-5	Pentaerythritol	DTXSID2026943								27.07384125	27.58247766		
C115866	115-86-6	Triphenyl phosphate	DTXSID1021952					-1.160485461					-0.299847276	
C115957	115-95-7	Linalyl acetate	DTXSID7026946							2.274478469				
C115968	115-96-8	Tris(2-chloroethyl) phosphate	DTXSID5021411											
C116029	116-02-9	"3,3,5-Trimethylcyclohexanol"	DTXSID9041815											
C116063	116-06-3	Aldicarb	DTXSID0039223											
C116255482	116255-48-2	Bromuconazole	DTXSID9032531		7.263529383		4.114914153	4.213340835					5.191701178	5.44538698
C116256	116-25-6	"1-(Hydroxymethyl)-5,5-dimethylhydantoin"	DTXSID6035152											
C1166525	1166-52-5	Dodecyl gallate	DTXSID0048189				-1.347397665	0.210743933			-1.408663168		5.570743168	-0.654388338
C116714466	116714-46-6	Novaluron	DTXSID5034773											
C117088	117-08-8	Tetrachlorophthalic anhydride	DTXSID7026102											
C117337196	117337-19-6	Fluthiacet-methyl	DTXSID2032556											
C117395	117-39-5	Quercetin	DTXSID4021218	0.060201927										-0.565429778
C117428225	117428-22-5	Picoxystrobin	DTXSID9047542										1.541771532	1.19562328
C117718602	117718-60-2	Thiazopyr	DTXSID1032488					-1.224828494						
C117793	117-79-3	2-Aminoanthraquinone	DTXSID6020068		-1.328280059		-1.57498301							
C117806	117-80-6	Dichlone	DTXSID7020425				-1.641094604	-1.740763748					-0.152297274	-2.056714027
C117817	117-81-7	Di(2-ethylhexyl) phthalate	DTXSID5020607											
C117840	117-84-0	Dioctyl phthalate	DTXSID1021956											
C117997	117-99-7	2-Hydroxybenzophenone	DTXSID5047879											
C118134308	118134-30-8	Spiroxamine	DTXSID1034212					-2.928076289						
C118478	118-47-8	Pyrazolone T	DTXSID5041273											
C118525	118-52-5	"1,3-Dichloro-5,5-dimethylhydantoin"	DTXSID4024985											
C118558	118-55-8	Phenyl salicylate	DTXSID6021957											
C118569	118-56-9	"3,3,5-Trimethylcyclohexyl salicylate"	DTXSID1026241				3.241569565	3.176837199						
C118581	118-58-1	Benzyl salicylate	DTXSID1024598											
C118718	118-71-8	Maltol	DTXSID0025523											
C118796	118-79-6	"2,4,6-Tribromophenol"	DTXSID6021959											
C118821	118-82-1	"4,4'-Methylenebis(2,6-di-t-butylphenol)"	DTXSID7022411											
C1189088	1189-08-8	"1,3-Butyleneglycol dimethacrylate"	DTXSID5044784											
C118934	118-93-4	2-Hydroxyacetophenone	DTXSID7040285											
C119073	119-07-3	Octyl decyl phthalate	DTXSID1047497											
C1191500	1191-50-0	Sodium myristyl sulfate	DTXSID4042416			4.815607436		-1.137373414						
C119168773	119168-77-3	Tebufenpyrad	DTXSID0034223					0.483586069					1.454055315	7.953631635
C1191914212	1191914-21-2	PharmaGSID_48521	DTXSID8048521						12.30727543					
C1192525	1192-52-5	"4,5-Dichloro-3H-1,2-dithiol-3-one"	DTXSID6032518				-1.365937006	-2.326536578						-3.13787119
C119368	119-36-8	Methyl salicylate	DTXSID5025659											
C119446683	119446-68-3	Difenoconazole	DTXSID4032372				-0.535896941	0.420812127	6.859735945				1.185696884	0.961415867
C1194656	1194-65-6	Dichlobenil	DTXSID5032365											
C119471	119-47-1	"2,2'-Methylenebis(4-methyl-6-tert-butylphenol)"	DTXSID4020870				-0.469752762	-0.437353623			-2.316735036		-1.071220263	-1.551381014
C119515387	119515-38-7	Icaridin	DTXSID0034227											
C119539	119-53-9	Benzoin	DTXSID1020144					8.577602257						
C119619	119-61-9	Benzophenone	DTXSID0021961											
C119642	119-64-2	Tetralin	DTXSID1026118											
C119904	119-90-4	"3,3'-Dimethoxybenzidine"	DTXSID3025091		-1.700794784									-0.865326957
C119937	119-93-7	"3,3'-Dimethylbenzidine"	DTXSID5024059		5.814818115									8.159009235
C120068373	120068-37-3	Fipronil	DTXSID4034609					0.337176786					0.696248196	0.85957768
C120116883	120116-88-3	Cyazofamid	DTXSID9034492					-0.42989188					-0.62294733	-0.950533085
C120127	120-12-7	Anthracene	DTXSID0023878											
C120149	120-14-9	Veratraldehyde	DTXSID7026285											
C120183	120-18-3	Naphthalene-2-sulfonic acid	DTXSID5044788						11.5512022					
C120321	120-32-1	Clorophene	DTXSID5020154	1.5848851	0.351429795	0.154046282	-1.498521227	-1.515867713					-0.115502495	1.223191559
C120365	120-36-5	Dichlorprop	DTXSID0020440											
C120467	120-46-7	"1,3-Diphenyl-1,3-propanedione"	DTXSID3041247										4.706136549	
C120478	120-47-8	Ethylparaben	DTXSID9022528											
C120511731	120511-73-1	Anastrozole	DTXSID9022607											
C120514	120-51-4	Benzyl benzoate	DTXSID8029153											
C120558	120-55-8	Diethylene glycol dibenzoate	DTXSID0026967											
C120569	120-56-9	Triethylene glycol dibenzoate	DTXSID7029611											
C120616	120-61-6	Dimethyl terephthalate	DTXSID0020498											
C120650	120-65-0	2-((Dimethylamino)methyl)phenol	DTXSID3041293											
C120718	120-71-8	2-Methoxy-5-methylaniline	DTXSID1020350											
C120729	120-72-9	Indole	DTXSID0020737											
C120809	120-80-9	Catechol	DTXSID3020257											
C120821	120-82-1	"1,2,4-Trichlorobenzene"	DTXSID0021965											
C120832	120-83-2	"2,4-Dichlorophenol"	DTXSID1020439											
C120923	120-92-3	Cyclopentanone	DTXSID3029154											
C120956	120-95-6	"2,4-Bis(2-methylbutan-2-yl)phenol"	DTXSID9026974				0.689987781	0.517655811						-1.436687666
C121006	121-00-6	2-tert-Butyl-4-methoxyphenol	DTXSID7040788	0.903359276	-0.312230178									
C12108133	12108-13-3	(Methylcyclopentadienyl)tricarbonylmanganese	DTXSID9027738											
C121142	121-14-2	"2,4-Dinitrotoluene"	DTXSID0020529											
C121324	121-32-4	3-Ethoxy-4-hydroxybenzaldehyde	DTXSID5021968											
C121335	121-33-5	4-Hydroxy-3-methoxybenzaldehyde	DTXSID0021969						4.461826267					
C121391	121-39-1	Ethyl 3-phenylglycidate	DTXSID8025886											
C1214397	1214-39-7	N-Benzyladenine	DTXSID7032630											
C121552612	121552-61-2	Cyprodinil	DTXSID1032359										-1.532968694	-1.087450985
C121697	121-69-7	"N,N-Dimethylaniline"	DTXSID2020507											
C121755	121-75-5	Malathion	DTXSID4020791	1.144270413				0.603844902						
C121799	121-79-9	Propyl gallate	DTXSID5021201											
C121915	121-91-5	"1,3-Benzenedicarboxylic acid"	DTXSID3021485											
C1219381	1219-38-1	Octylparaben	DTXSID0047957					-5.951319967						
C122008859	122008-85-9	Cyhalofop-butyl	DTXSID1034503				10.85679733	9.146674944					3.399469424	
C122145	122-14-5	Fenitrothion	DTXSID4032613	8.23024892	1.856387171	1.088844422	-0.230148913	-1.939128712					-0.912483352	4.435144954
C122203	122-20-3	Triisopropanolamine	DTXSID5021415											
C122349	122-34-9	Simazine	DTXSID4021268											
C122394	122-39-4	Diphenylamine	DTXSID4021975											
C122407	122-40-7	Pentylcinnamaldehyde	DTXSID8029157											
C122429	122-42-9	Propham	DTXSID7020766											
C122453730	122453-73-0	Chlorfenapyr	DTXSID9032533					-3.863957121					0.283738209	-1.818380517
C122510	122-51-0	Ethyl orthoformate	DTXSID8041957											
C122576	122-57-6	Methyl styryl ketone	DTXSID4025662					3.500788078						
C122623	122-62-3	Bis(2-ethylhexyl) decanedioate	DTXSID7025055											
C122667	122-66-7	"1,2-Diphenylhydrazine"	DTXSID7020710											
C122781	122-78-1	Phenylacetaldehyde	DTXSID3021483		5.79703327									
C122836355	122836-35-5	Sulfentrazone	DTXSID6032645											
C122883	122-88-3	4-Chlorophenoxyacetic acid	DTXSID9034282											
C122996	122-99-6	2-Phenoxyethanol	DTXSID9021976											
C123002	123-00-2	4-Morpholinepropanamine	DTXSID4041521											
C123013	123-01-3	Dodecylbenzene	DTXSID7026994											
C123057	123-05-7	2-Ethylhexanal	DTXSID9025291											
C123079	123-07-9	4-Ethylphenol	DTXSID4021977											
C123115	123-11-5	4-Methoxybenzaldehyde	DTXSID2026997											
C123122554	123122-55-4	Candoxatril	DTXSID6047286											
C123171	123-17-1	"2,6,8-Trimethyl-4-nonanol"	DTXSID8029159											
C123251	123-25-1	Diethyl butanedioate	DTXSID2038732			7.961671394								
C123312890	123312-89-0	Pymetrozine	DTXSID2032637											
C123319	123-31-9	Hydroquinone	DTXSID7020716										-0.946329883	
C123331	123-33-1	Maleic hydrazide	DTXSID9020792											
C123343168	123343-16-8	Pyrithiobac-sodium	DTXSID8032673											
C123353	123-35-3	Myrcene	DTXSID6025692											
C123422	123-42-2	Diacetone alcohol	DTXSID6024917											
C123513	123-51-3	Isopentyl alcohol	DTXSID3025469											
C123660	123-66-0	Ethyl hexanoate	DTXSID3021980											
C123773	123-77-3	Azodicarbonamide	DTXSID0024553											
C123922	123-92-2	3-Methylbutyl acetate	DTXSID9025453											
C123966	123-96-6	2-Octanol	DTXSID0027014											
C123999	123-99-9	Nonanedioic acid	DTXSID8021640											
C124049	124-04-9	Hexanedioic acid	DTXSID7021605											
C124072	124-07-2	Octanoic acid	DTXSID3021645											
C124094	124-09-4	"1,6-Hexanediamine"	DTXSID5024922											
C124130	124-13-0	Octanal	DTXSID3021643											
C124185	124-18-5	Decane	DTXSID6024913											
C1241947	1241-94-7	2-Ethylhexyl diphenyl phosphate	DTXSID1025300					-2.030629185						
C124196	124-19-6	Nonanal	DTXSID9021639											
C124221	124-22-1	1-Dodecanamine	DTXSID3021984				5.121822852	3.876481076						
C12427382	12427-38-2	Maneb	DTXSID9020794			-0.271024139		-2.650736212						
C124378774	124378-77-4	Enadoline	DTXSID4047258											
C124403	124-40-3	Dimethylamine	DTXSID5024057											
C124495187	124495-18-7	Quinoxyfen	DTXSID2034881					-2.240243712					-0.918158841	-1.350289392
C124685	124-68-5	2-Amino-2-methylpropan-1-ol	DTXSID8027032											
C124765	124-76-5	Isoborneol	DTXSID2042060											
C124947	124-94-7	Triamcinolone	DTXSID1040742	6.700413908	5.164862693						4.182539678	16.56819061		
C125116236	125116-23-6	Metconazole	DTXSID4034497		-3.272139858		-6.06747267	-6.191410922					-5.531793765	-4.807709647
C125122	125-12-2	Isobornyl acetate	DTXSID7042061						4.173564529					
C125225287	125225-28-7	Ipconazole	DTXSID7034674		-1.024064771		-3.571925085	-3.239220153					-1.735957289	-1.944164133
C125401925	125401-92-5	Bispyribac-sodium	DTXSID7034383											
C125848	125-84-8	Aminoglutethimide	DTXSID8022589											
C126001	126-00-1	Diphenolic acid	DTXSID0022436											
C1260179	1260-17-9	Carminic acid	DTXSID9022817											
C126067	126-06-7	"3-Bromo-1-chloro-5,5-dimethylhydantoin"	DTXSID7029162											
C126114	126-11-4	"2-(Hydroxymethyl)-2-nitro-1,3-propanediol"	DTXSID8027034						2.100290365					
C126147	126-14-7	Sucrose octaacetate	DTXSID3042423											
C126307	126-30-7	"2,2-Dimethylpropane-1,3-diol"	DTXSID8027036											
C126727	126-72-7	"Tris(2,3-dibromopropyl) phosphate"	DTXSID5021413	0.888065384	-0.633786887			-1.628249279					-0.449375776	-2.433643592
C126738	126-73-8	Tributyl phosphate	DTXSID3021986											
C126833178	126833-17-8	Fenhexamid	DTXSID3032549	3.679939331		2.504433896							-0.491010915	-0.827276027
C126863	126-86-3	"2,4,7,9-Tetramethyl-5-decyne-4,7-diol"	DTXSID7027041											
C126921	126-92-1	Sodium ethasulfate	DTXSID1026033						6.212820993					
C126987	126-98-7	Methacrylonitrile	DTXSID1024176									24.95082671		
C127071	127-07-1	Hydroxyurea	DTXSID6025438											
C127195	127-19-5	"N,N-Dimethylacetamide"	DTXSID5020499											
C127253	127-25-3	Methyl abietate	DTXSID9048190				-6.426515835	-6.364211408						
C127308821	127308-82-1	Zamifenacin	DTXSID9047257					-2.784041965						
C127399	127-39-9	"Sodium 1,4-diisobutyl sulfosuccinate"	DTXSID7029164											
C127413	127-41-3	alpha-Ionone	DTXSID0035160											
C127479	127-47-9	Retinol acetate	DTXSID6021240				4.581721489	4.575706533					4.671040611	
C127515	127-51-5	alpha-Isomethylionone	DTXSID7027047											
C128041	128-04-1	Sodium dimethyldithiocarbamate	DTXSID6027050										-0.277252893	-0.594253538
C128370	128-37-0	Butylated hydroxytoluene	DTXSID2020216				3.796144758	4.919102128						
C128392	128-39-2	"2,6-Di-tert-butylphenol"	DTXSID6027052											
C128639021	128639-02-1	Carfentrazone-ethyl	DTXSID4032532											
C128950	128-95-0	"1,4-Diaminoanthraquinone"	DTXSID2041252		-4.148622436			-5.336328317	-0.968233011					
C129000	129-00-0	Pyrene	DTXSID3024289											-1.50734188
C129066	129-06-6	Sodium warfarin	DTXSID7035010											
C129179	129-17-9	Sulfan blue	DTXSID3026065		3.346982934									-3.903845614
C129298915	129298-91-5	TNP-470	DTXSID0041141				-1.40478506	-1.367271751						
C129299907	129299-90-7	Fabesetron hydrochloride	DTXSID7048168				-1.176585597	-1.408056029					2.385312809	-0.788408554
C129453618	129453-61-8	Fulvestrant	DTXSID4022369		-2.648121274								-1.332207104	
C129630199	129630-19-9	Pyraflufen-ethyl	DTXSID8034871											
C1300727	1300-72-7	Sodium xylenesulfonate	DTXSID3026302											
C1300738	1300-73-8	Dimethylaniline	DTXSID8027377											
C130143	130-14-3	Sodium 1-naphthalenesulfonate	DTXSID3042394											
C1303113	1303-11-3	Indium arsenide	DTXSID5023825											
C13071799	13071-79-9	Terbufos	DTXSID2022254											
C131113	131-11-3	Dimethyl phthalate	DTXSID3022455											
C131179	131-17-9	Diallyl phthalate	DTXSID7020392		6.575585332									5.122598209
C131180	131-18-0	Dipentyl phthalate	DTXSID5031131											
C131341861	131341-86-1	Fludioxonil	DTXSID2032398										-0.682357263	0.519873274
C131555	131-55-5	"2,2',4,4'-Tetrahydroxybenzophenone"	DTXSID5041306	4.045896449	3.020226819	1.94523106	1.517738073	1.14351315	5.411683237				-0.594672308	2.615436236
C131566	131-56-6	"2,4-Dihydroxybenzophenone"	DTXSID8022406	5.513921754	6.536016774			4.208980987					4.85796985	5.046094708
C131577	131-57-7	2-Hydroxy-4-methoxybenzophenone	DTXSID3022405											-3.479155943
C131704	131-70-4	Monobutyl phthalate	DTXSID4040002											
C13171001	13171-00-1	"1-(6-tert-Butyl-1,1-dimethyl-2,3-dihydro-1H-inden-4-yl)ethanone"	DTXSID9044536				-5.59868466	-5.728590892						
C131807573	131807-57-3	Famoxadone	DTXSID8034588										1.638327523	1.802145174
C131860338	131860-33-8	Azoxystrobin	DTXSID0032520					-1.094344392					-0.588197727	0.258021055
C13194484	13194-48-4	Ethoprop	DTXSID4032611											
C131983727	131983-72-7	Triticonazole	DTXSID0032655	3.482887054	3.931169889		-0.598378898	-0.788126647				-3.46432647		1.735720584
C1320076	1320-07-6	"C.I. Acid Orange 24, monosodium salt"	DTXSID7041708		-3.370583734	-2.336953342								
C1321740	1321-74-0	Divinylbenzene	DTXSID2025216											
C1323199	1323-19-9	Sodium triisopropyl naphthalene sulfonate	DTXSID4044537			7.097695341								
C1323382	1323-38-2	Glyceryl monoricinoleate	DTXSID3042007											
C13254347	13254-34-7	"2,6-Dimethyl-2-heptanol"	DTXSID6041424											
C132649	132-64-9	Dibenzofuran	DTXSID2021993											
C132650	132-65-0	Dibenzothiophene	DTXSID0047741											
C13292461	13292-46-1	Rifampicin	DTXSID6021244										-1.1227606	
C13301616	13301-61-6	C.I. Disperse Orange 37	DTXSID9044538		-4.412817098	-3.506221083		-5.706053092						-5.743897755
C133062	133-06-2	Captan	DTXSID9020243				-0.115825571	0.013402928					2.103706812	0.065768455
C133073	133-07-3	Folpet	DTXSID0021385				-1.455867974	-2.230089235					1.787139356	0.342372463
C1330785	1330-78-5	Tricresyl phosphate	DTXSID4021391					-1.518371927						-1.819448245
C1330865	1330-86-5	Diisooctyl adipate	DTXSID7027388											
C13311847	13311-84-7	Flutamide	DTXSID7032004	6.603365585	1.50511269		-1.127935882	-0.85258519					0.80165063	2.940277022
C1333397	1333-39-7	Phenolsulfonic acid	DTXSID1027390											
C1335462	1335-46-2	Methylionone	DTXSID0029214											
C1338438	1338-43-8	"Sorbitan, mono-(9Z)-9-octadecenoate"	DTXSID6027397			5.176806031								
C133855988	133855-98-8	Epoxiconazole	DTXSID1040372					4.214334645					3.990126651	4.841260965
C133904	133-90-4	Chloramben	DTXSID2020262											
C134002601	134002-60-1	CP-085958	DTXSID5047297		-0.763730833		-1.05726165	-2.45985165						
C134032	134-03-2	Sodium L-ascorbate	DTXSID0020105											
C134203	134-20-3	Methyl 2-aminobenzoate	DTXSID6025567											
C134316	134-31-6	8-Hydroxyquinoline sulfate	DTXSID6025436										1.641564725	-3.815449836
C134523038	134523-03-8	Atorvastatin calcium	DTXSID6044303		7.95060008			5.500339931					8.301875552	
C134605644	134605-64-4	Butafenacil	DTXSID9034365										-1.203173487	
C134623	134-62-3	DEET	DTXSID2021995											
C13463417	13463-41-7	Zinc pyrithione	DTXSID7026314			2.095972152	-3.546256019	-2.802814753	7.202817987		0.264123606		6.874555492	3.830021991
C135080034	135080-03-4	CP-100829	DTXSID7047304			1.580266082							-2.231896316	
C135158542	135158-54-2	Acibenzolar-S-methyl	DTXSID1032519	7.849187426	10.27266084		5.155819636	4.98325383						5.592878092
C135193	135-19-3	2-Naphthalenol	DTXSID5027061						4.123462368				-0.798231295	
C135206	135-20-6	Cupferron	DTXSID1020352											
C135410207	135410-20-7	Acetamiprid	DTXSID0034300											
C136042198	136042-19-8	FR130739	DTXSID1048178						5.051827811					
C136458	136-45-8	"Dipropyl 2,5-pyridinedicarboxylate"	DTXSID8032544											
C136607	136-60-7	Butyl benzoate	DTXSID8040694											
C13674845	13674-84-5	Tris(2-chloroisopropyl)phosphate	DTXSID5026259											
C13674878	13674-87-8	TDCPP	DTXSID9026261	2.287064633	0.608402684			-0.488088781					-0.250561823	0.165371046
C136776	136-77-6	4-Hexylresorcinol	DTXSID1020699	2.127050423			-1.394200608	-1.271915696					0.111878137	-0.374389137
C13680358	13680-35-8	"4,4'-Methylenebis(2,6-diethylaniline)"	DTXSID4048191					-5.436812367					-5.157820379	-6.183767961
C13684565	13684-56-5	Desmedipham	DTXSID0034518						6.509475752					
C13684634	13684-63-4	Phenmedipham	DTXSID1024255						4.498835379					
C137268	137-26-8	Thiram	DTXSID5021332				-2.740138711	-2.39247279	9.476359409				6.306513687	5.797210367
C137304	137-30-4	Ziram	DTXSID0021464			1.83991404	-1.988254601	-1.095982977					3.816218097	5.852066155
C137428	137-42-8	Metam-sodium	DTXSID2029167						10.40130432					
C13755298	13755-29-8	Sodium tetrafluoroborate	DTXSID9021477											
C137666	137-66-6	Ascorbyl palmitate	DTXSID3041611											
C138227	138-22-7	Butyl lactate	DTXSID7042196											
C138261413	138261-41-3	Imidacloprid	DTXSID5032442											
C13826352	13826-35-2	3-Phenoxybenzenemethanol	DTXSID7027756		5.504992327									4.492733172
C138472012	138472-01-2	FR900409	DTXSID2048167											
C138863	138-86-3	Limonene	DTXSID2029612											
C139026	139-02-6	Sodium phenolate	DTXSID4027072											
C139139	139-13-9	Nitrilotriacetic acid	DTXSID6020939	-8.993635616										
C139149556	139149-55-6	SB202235	DTXSID1047318										5.366755411	
C139290656	139290-65-6	Volinanserin	DTXSID6047363											
C139340560	139340-56-0	Darbufelone mesylate	DTXSID0047246		-0.198133868		0.537357622	0.117793648					0.216535909	-1.457867389
C139402	139-40-2	Propazine	DTXSID3021196											
C139877	139-87-7	Ethyl diethanolamine	DTXSID8041955											
C139888	139-88-8	"7-Ethyl-2-methyl-4-undecanolsulfate, sodium salt"	DTXSID3041530			5.850389308								
C139968	139-96-8	Dodecyl sulfate triethanolamine	DTXSID4027076			7.334261599			10.9371802					
C140089	140-08-9	Tris(2-chloroethyl) phosphite	DTXSID0026258											
C140103	140-10-3	E-Cinnamic acid	DTXSID5022489											
C140114	140-11-4	Benzyl acetate	DTXSID0020151											
C1401554	1401-55-4	Tannic acid	DTXSID2026076		4.215678777	3.029470757					-1.534731504	0.970328389	0.363642197	
C140318	140-31-8	1-(2-Aminoethyl)piperazine	DTXSID2021997											
C140385	140-38-5	4-Chlorophenylurea	DTXSID5041512						11.0741745					
C140567	140-56-7	Fenaminosulf	DTXSID6040371											0.219008208
C140647	140-64-7	Pentamidine isethionate	DTXSID5023796							-2.819643291			1.00493548	-1.714349247
C140669	140-66-9	"4-(1,1,3,3-Tetramethylbutyl)phenol"	DTXSID9022360	1.225185752		0.557637405	0.575328698	0.407375961						-1.4032199
C140670	140-67-0	Estragole	DTXSID0020575											
C140954	140-95-4	Dimethylolurea	DTXSID6025141											
C141048	141-04-8	Diisobutyl adipate	DTXSID9036690											
C141112290	141112-29-0	Isoxaflutole	DTXSID5034723											
C141220	141-22-0	"(9Z,12R)-12-Hydroxyoctadec-9-enoic acid"	DTXSID0041567			5.850596844								
C141322	141-32-2	Butyl acrylate	DTXSID6024676								5.360424575	7.971120504		
C141435	141-43-5	Ethanolamine	DTXSID6022000											
C141517217	141517-21-7	Trifloxystrobin	DTXSID4032580										0.308794822	0.080284237
C141662	141-66-2	Dicrotophos	DTXSID9023914											
C141797	141-79-7	4-Methylpent-3-en-2-one	DTXSID1029170											
C142041	142-04-1	Aniline hydrochloride	DTXSID3020091											
C142165	142-16-5	Bis(2-ethylhexyl) maleate	DTXSID2027094				-3.818729618	-2.927479928						
C142187	142-18-7	1-Monolaurin	DTXSID5041275											
C142314	142-31-4	Sodium octyl sulfate	DTXSID9036226											
C14233375	14233-37-5	"1,4-Bis(N-isopropylamino)anthraquinone"	DTXSID2041250											
C142459583	142459-58-3	Flufenacet	DTXSID2032552										-0.652775642	
C142621	142-62-1	Hexanoic acid	DTXSID7021607											
C142870	142-87-0	Sodium decyl sulfate	DTXSID4036229											
C143077	143-07-7	Dodecanoic acid	DTXSID5021590											
C143088	143-08-8	1-Nonanol	DTXSID6022008											
C143226	143-22-6	2-[2-(2-Butoxyethoxy)ethoxy]ethanol	DTXSID7021520											
C143390890	143390-89-0	Kresoxim-methyl	DTXSID2032558										-4.592718377	-4.7813229
C1434544	1434-54-4	Pregnenolone carbonitrile	DTXSID7037262						6.537998305					6.129419838
C143500	143-50-0	Kepone	DTXSID1020770			5.485546117	-0.007380517	0.772429681			-1.026943937		0.164773133	-1.162410374
C14351667	14351-66-7	Sodium abietate	DTXSID8042399										4.997191098	
C14371109	14371-10-9	(2E)-3-Phenylprop-2-enal	DTXSID6024834											
C143748	143-74-8	Phenol red	DTXSID8022408											
C144490	144-49-0	Fluoroacetic acid	DTXSID0041981											
C144550367	144550-36-7	Iodosulfuron-methyl-sodium	DTXSID2034673											
C1445756	1445-75-6	Diisopropyl methylphosphonate	DTXSID5024051											
C144627	144-62-7	Oxalic acid	DTXSID0025816											
C145701219	145701-21-9	Diclosulam	DTXSID4034528											
C145733	145-73-3	Endothal	DTXSID7024081				-1.51962344	-1.216728862					-1.835442974	
C145742285	145742-28-5	CP-122721	DTXSID9047251				-0.719672394	-0.496441323	6.905926274				-0.401231825	-0.299585476
C1459934	1459-93-4	Dimethyl isophthalate	DTXSID8027402						9.735720726					
C146011656	146011-65-6	FR145237	DTXSID6048171											-2.418272512
C1461229	1461-22-9	Tributyltin chloride	DTXSID3027403		-3.579133402	-2.68479948	-0.552583385	1.190863217		-0.401460818	-4.980109134		0.927423162	1.518607189
C1461252	1461-25-2	Tetrabutyltin	DTXSID4022153				-0.684416003	-1.328435752					-1.46964104	0.278154322
C147240	147-24-0	Diphenhydramine hydrochloride	DTXSID4020537											
C14765301	14765-30-1	2-sec-Butylcyclohexanone	DTXSID4041818											
C1477550	1477-55-0	"1,3-Benzenedimethanamine"	DTXSID9029649											
C147819	147-81-9	Arabinose	DTXSID8041610						10.05285801					
C1478611	1478-61-1	Bisphenol AF	DTXSID7037717	3.506007374	0.450303473	4.569477939	0.028607094	0.07558018					0.19571821	0.656782398
C14816183	14816-18-3	Phoxim	DTXSID8034324								5.478712136			
C148243	148-24-3	8-Hydroxyquinoline	DTXSID5020730										1.271458712	-0.123879467
C148477718	148477-71-8	Spirodiclofen	DTXSID6034928					-1.867396857						
C148798	148-79-8	Thiabendazole	DTXSID0021337											
C1490046	1490-04-6	Menthol	DTXSID8029650									27.42033437		
C14901076	14901-07-6	"4-(2,6,6-Trimethyl-cyclohex-1-enyl)-but-3-en-2-one"	DTXSID9025451											
C149062759	149062-75-9	PharmaGSID_47259	DTXSID9047259	7.694064504										
C149304	149-30-4	2-Mercaptobenzothiazole	DTXSID1020807										5.454404782	
C149413741	149413-74-1	FR150011	DTXSID1048170			2.607262129	-0.648320283	-0.28341136					0.008580843	
C149575	149-57-5	2-Ethylhexanoic acid	DTXSID9025293									4.19613494		
C149877418	149877-41-8	Bifenazate	DTXSID5032525										4.473058257	4.159766983
C149979419	149979-41-9	Tepraloxydim	DTXSID7034252											
C150130	150-13-0	4-Aminobenzoic acid	DTXSID6024466											
C15046750	15046-75-0	Sodium 2-methylbenzenesulfonate	DTXSID2044553											
C150685	150-68-5	Monuron	DTXSID0020311											
C150765	150-76-5	4-Methoxyphenol	DTXSID4020828											
C150787	150-78-7	Hydroquinone dimethyl ether	DTXSID0022014											
C151053	151-05-3	Dimethylbenzylcarbinyl acetate	DTXSID3041877						4.461018383					
C151213	151-21-3	Sodium dodecyl sulfate	DTXSID1026031			1.134073005								
C151506444	151506-44-4	FR140423	DTXSID6048175											
C15214898	15214-89-8	2-Acrylamido-2-methyl-1-propanesulfonic acid	DTXSID5027770											
C15299997	15299-99-7	Napropamide	DTXSID5024211	0.571260594	-1.522672087								-2.69535624	-0.54036205
C15307796	15307-79-6	Diclofenac sodium	DTXSID3037208										-1.1229783	
C15310017	15310-01-7	Benodanil	DTXSID7041623										4.506552707	
C153233911	153233-91-1	Etoxazole	DTXSID8034586				-0.261314739	-0.316300875					-1.109028275	
C153719234	153719-23-4	Thiamethoxam	DTXSID2034962											
C1541817	1541-81-7	4-Dodecylmorpholine	DTXSID4042171											
C154427	154-42-7	6-Thioguanine	DTXSID6023652					1.153484036					-1.244736348	
C15499271	15499-27-1	4-Butylchlorobenzene	DTXSID9048192											
C155569918	155569-91-8	Emamectin benzoate	DTXSID0034566		-0.793610556		-0.160954425	1.010154697			-2.334520075		1.41933734	-0.546490509
C1559348	1559-34-8	"3,6,9,12-Tetraoxahexadecan-1-ol"	DTXSID2027412											
C1559359	1559-35-9	2-(2-Ethylhexyloxy)ethanol	DTXSID1041920											
C155990208	155990-20-8	SR271425	DTXSID8047347				-1.396070692	-1.011973829		2.451539986	1.773337529		-1.497133269	-4.427402465
C156052685	156052-68-5	Zoxamide	DTXSID9032581				-0.416098928	1.525876821					2.184935432	-0.469682511
C156105	156-10-5	4-Nitrosodiphenylamine	DTXSID1021031		-0.148841381		-3.587380928	-3.97656061			-1.63653317		-4.607694718	-5.943866485
C15619484	15619-48-4	1-Benzylquinolinium chloride	DTXSID8044593										0.737434906	0.842537951
C1563388	1563-38-8	"2,3-Dihydro-2,2-dimethyl-7-benzofuranol"	DTXSID2027414						11.64618722					
C1563662	1563-66-2	Carbofuran	DTXSID9020249											
C156434	156-43-4	4-Ethoxyaniline	DTXSID0025864										3.933702591	
C156605	156-60-5	"(E)-1,2-Dichloroethylene"	DTXSID7024031											
C1569013	1569-01-3	1-Propoxy-2-propanol	DTXSID5029217									3.332751015		
C1569024	1569-02-4	1-Ethoxy-2-propanol	DTXSID1041267											
C1570645	1570-64-5	4-Chloro-2-methylphenol	DTXSID5022510											
C15708415	15708-41-5	Ethylenediaminetetraacetic acid ferric sodium salt	DTXSID5027774		5.066239004									
C158081993	158081-99-3	CP-105696	DTXSID7047308					-1.012745135					-2.080268463	
C1582098	1582-09-8	Trifluralin	DTXSID4021395											
C159138815	159138-81-5	Cariporide mesylate	DTXSID3047344											
C1596845	1596-84-5	Daminozide	DTXSID9020370											
C15972608	15972-60-8	Alachlor	DTXSID1022265		-0.928061461			-0.88555826					-0.691385624	-1.295266582
C16079882	16079-88-2	"Bromo-3-chloro-5,5-dimethylhydantoin"	DTXSID3032591											
C1610180	1610-18-0	Prometon	DTXSID6022341											
C161050584	161050-58-4	Methoxyfenozide	DTXSID3032628											
C161326347	161326-34-7	Fenamidone	DTXSID2034590										-1.31483515	-0.023637562
C16219753	16219-75-3	5-Ethylidene-2-norbornene	DTXSID1025306											
C1625918	1625-91-8	"4,4'-Di-tert-butylbiphenyl"	DTXSID4048193					4.098582035						
C162706141	162706-14-1	UK-156819	DTXSID2047309	-0.222185244										
C1632731	1632-73-1	Fenchol	DTXSID1041970											
C1634782	1634-78-2	Malaoxon	DTXSID9020790						4.598755375					
C163520330	163520-33-0	Isoxadifen-ethyl	DTXSID7040360											
C1638228	1638-22-8	4-Butylphenol	DTXSID3047425		6.024375535									
C16423680	16423-68-0	FD&C Red 3	DTXSID7021233	1.7695696	4.917253428	5.010281772								-1.18089738
C1646759	1646-75-9	Aldicarb oxime	DTXSID9024431											
C1646873	1646-87-3	Aldicarb sulfoxide	DTXSID1033161											
C1646884	1646-88-4	Aldoxycarb	DTXSID6023862						6.563978249					
C165252700	165252-70-0	Dinotefuran	DTXSID7034549											
C16587716	16587-71-6	4-(tert-Pentyl)-cyclohexanone	DTXSID4047127											
C166412788	166412-78-8	"Diisononyl cyclohexane-1,2-dicarboxylate"	DTXSID8047395											
C16672870	16672-87-0	Ethephon	DTXSID7024085											
C1671756	1671-75-6	Heptanophenone	DTXSID9048194											
C16752775	16752-77-5	Methomyl	DTXSID1022267											23.82372164
C1675543	1675-54-3	Bisphenol A diglycidyl ether	DTXSID6024624				-6.70032917	-6.685603587					-5.32705308	
C16893859	16893-85-9	Sodium hexafluorosilicate	DTXSID9036933											
C1689845	1689-84-5	Bromoxynil	DTXSID3022162								1.611003042	4.977171093	-1.265549335	-1.442265915
C169590425	169590-42-5	Celecoxib	DTXSID0022777				-0.685140602	-0.394890087					1.074337972	
C1698608	1698-60-8	Chloridazon	DTXSID3034872											
C1702176	1702-17-6	Clopyralid	DTXSID9029221											
C171866312	171866-31-2	CP-283097	DTXSID8047264											
C1724396	1724-39-6	Cyclododecanol	DTXSID1027429											
C173584446	173584-44-6	Indoxacarb	DTXSID1032690								-3.308121775		-0.801063302	-2.132062507
C17372871	17372-87-1	Eosin	DTXSID0025234		-5.557395482	-3.719705325	-5.164401911	-4.635570557	1.789873576				-4.05629609	
C174185161	174185-16-1	FR167356	DTXSID1048174					-1.130477792					-0.910335315	-1.153275031
C1742149	1742-14-9	"1,1-Bis(3,4-dimethylphenyl)ethane"	DTXSID9029223				3.817313997	4.528349732						
C17465860	17465-86-0	gamma-Cyclodextrin	DTXSID5047033											
C175013180	175013-18-0	Pyraclostrobin	DTXSID7032638										2.475505188	2.919921621
C1760243	1760-24-3	"N-[3-(Trimethoxysilyl)propyl]ethane-1,2-diamine"	DTXSID5027433											
C1762954	1762-95-4	"Thiocyanic acid, ammonium salt"	DTXSID3029653											
C1763231	1763-23-1	PFOS	DTXSID3031864	1.459579509	2.272334388	3.075468894								
C17696627	17696-62-7	Phenylparaben	DTXSID4047882										-5.719558058	
C177785476	177785-47-6	PharmaGSID_47261	DTXSID3047261											
C17796826	17796-82-6	N-(Cyclohexylthio)phthalimide	DTXSID8027793				-5.100825401	-5.321912564			-8.285397085		-5.414442357	-6.024790806
C17804352	17804-35-2	Benomyl	DTXSID5023900					1.514551262						
C17924924	17924-92-4	Zearalenone	DTXSID0021460										-4.323560919	-5.479269704
C179465715	179465-71-5	CJ-013790	DTXSID2047303					-0.936047661					-1.155722676	-1.249438434
C180084019	180084-01-9	SB236057A	DTXSID5047320		-0.178671769		0.553689152	1.608002686					2.431581135	-1.810471309
C1806264	1806-26-4	4-Octylphenol	DTXSID9022312				-1.405087342	-1.274025441						
C181274157	181274-15-7	Propoxycarbazone-sodium	DTXSID9034864											
C181274179	181274-17-9	Flucarbazone-sodium	DTXSID3034614											
C181640095	181640-09-5	SR144190	DTXSID4047339						2.80182087					
C18172673	18172-67-3	(-)-beta-Pinene	DTXSID1041184											
C1825214	1825-21-4	Pentachloroanisole	DTXSID2021103											
C1836755	1836-75-5	Nitrofen	DTXSID7020970				-0.143399833	-0.702541251					0.090767179	3.142628118
C1843056	1843-05-6	Octabenzone	DTXSID9027441					-1.480733065						
C184653847	184653-84-7	Carabersat	DTXSID6047319											
C1861321	1861-32-1	Chlorthal-dimethyl	DTXSID0024000											
C1861401	1861-40-1	Benfluralin	DTXSID3023899				-1.730833226	-1.465984016						
C186392654	186392-65-4	Ingliforib	DTXSID4047252					0.128183679					0.633847109	
C1873887	1873-88-7	"1,1,1,3,5,5,5-Heptamethyltrisiloxane"	DTXSID1038795											
C188425856	188425-85-6	Boscalid	DTXSID6034392											
C188489078	188489-07-8	Flufenpyr-ethyl	DTXSID3034618											
C189003927	189003-92-7	Trelanserin	DTXSID2047355					-2.094496706					-1.641629575	
C18924668	18924-66-8	"2,2'-(Tetradecylimino)diethanol"	DTXSID5044865			-2.057943733	-1.623699871	-1.422998306					-3.008162427	-2.99576731
C1897456	1897-45-6	Chlorothalonil	DTXSID0020319			-2.036698362	-3.625383681	-0.346660689			-5.504278683		1.396081659	-0.492318225
C18979550	18979-55-0	4-(Hexyloxy)phenol	DTXSID4048195				-6.676993456	-5.796499992					-4.998063786	
C19044883	19044-88-3	Oryzalin	DTXSID8024238				0.509092093	0.819248636					4.608005091	-0.49684696
C1907659	1907-65-9	N-Butyl-p-toluenesulfonamide	DTXSID7042198											
C1912249	1912-24-9	Atrazine	DTXSID9020112											
C1918009	1918-00-9	Dicamba	DTXSID4024018											
C1918021	1918-02-1	Picloram	DTXSID1021160											
C1918167	1918-16-7	Propachlor	DTXSID4024274					-1.571903514					1.90368077	-0.643887185
C1929733	1929-73-3	"2,4-D-Butotyl"	DTXSID1032309											
C1929777	1929-77-7	Vernolate	DTXSID7024376											
C1929824	1929-82-4	Nitrapyrin	DTXSID0024216											
C1934210	1934-21-0	FD&C Yellow 5	DTXSID1021455											
C1936158	1936-15-8	C.I. Acid Orange 10	DTXSID6021082											
C194098254	194098-25-4	CP-409092	DTXSID2047276											
C1948330	1948-33-0	tert-Butylhydroquinone	DTXSID6020220					-1.790625905					-0.411825603	
C19666309	19666-30-9	Oxadiazon	DTXSID3024239					-0.477834263					-0.552406534	-1.50772493
C196808454	196808-45-4	Farglitazar	DTXSID1047310	3.688907468	0.099192417	0.217195169		-0.870977993					-0.34740814	
C197077557	197077-55-7	UK-333747	DTXSID1047287											
C19774824	19774-82-4	Amiodarone hydrochloride	DTXSID7037185		0.53306971	2.07722286	-1.63475051	0.022305801	6.943100818				-0.954945211	-1.536677323
C19780111	19780-11-1	(2-Dodecenyl)succinic anhydride	DTXSID7025217						5.551652491				5.006689354	
C1987504	1987-50-4	4-Heptylphenol	DTXSID2037714				-0.710467477	-0.562021953						
C199119589	199119-58-9	Trifloxysulfuron-sodium	DTXSID8040222											
C199171885	199171-88-5	CP-401387	DTXSID9047253					-2.714500233					-1.387141188	
C199584388	199584-38-8	1-Methoxy-4-tert-pentylcyclohexane	DTXSID0048187											
C2008415	2008-41-5	Butylate	DTXSID7023936											
C200940234	200940-23-4	SB243213A	DTXSID5047322										-0.48632297	-1.167517912
C2016571	2016-57-1	1-Decanamine	DTXSID2022171				4.563656312	3.533929076				26.49577223		
C20265978	20265-97-8	4-Methoxyaniline hydrochloride	DTXSID3020093											
C2031676	2031-67-6	Triethoxymethylsilane	DTXSID6042490											
C20325400	20325-40-0	"3,3'-Dimethoxybenzidine dihydrochloride"	DTXSID1020485	1.325162664	0.019340376			0.312941212					-0.48200846	0.213260588
C203942498	203942-49-8	UK-337312	DTXSID6047288				0.264375278	-0.338099433			-2.386917475			-1.531343123
C2043574	2043-57-4	"1H,1H,2H,2H-Perfluorooctyl iodide"	DTXSID2047565											
C2044646	2044-64-6	"N,N-Dimethylacetoacetamide"	DTXSID8027454						7.70074698					
C2058460	2058-46-0	Oxytetracycline hydrochloride	DTXSID5021097											
C2058948	2058-94-8	Perfluoroundecanoic acid	DTXSID8047553											
C205992	205-99-2	Benzo(b)fluoranthene	DTXSID0023907								-0.674535501			
C206440	206-44-0	Fluoranthene	DTXSID3024104				0.020704649	-0.161769263						2.356599909
C207736058	207736-05-8	CI-1029	DTXSID8047262	6.651234799										
C20780487	20780-48-7	"3,7-Dimethyloctan-3-yl acetate"	DTXSID5041487											
C2078548	2078-54-8	Propofol	DTXSID6023523											
C20830755	20830-75-5	Digoxin	DTXSID5022934					4.78544634		-3.630957569			4.101591536	
C208968	208-96-8	Acenaphthylene	DTXSID3023845											
C2104645	2104-64-5	EPN	DTXSID7022174											0.412393095
C210631688	210631-68-8	Topramezone	DTXSID0034722											
C210826407	210826-40-7	CP-456773	DTXSID2047301											
C21087649	21087-64-9	Metribuzin	DTXSID6024204											
C210880925	210880-92-5	Clothianidin	DTXSID2034465											
C2110181	2110-18-1	2-(3-Phenylpropyl)pyridine	DTXSID7042356											
C21145777	21145-77-7	"6-Acetyl-1,1,2,4,4,7-hexamethyltetralin"	DTXSID7041544				-5.631399025	-6.850769579						
C2122705	2122-70-5	Ethyl 1-naphthaleneacetate	DTXSID3034583											
C21245023	21245-02-3	2-Ethylhexyl 4-(dimethylamino)benzoate	DTXSID7029320					3.671140874						
C2144538	2144-53-8	Tridecafluorohexylethyl methacrylate	DTXSID3047558											
C214535770	214535-77-0	CP-457677	DTXSID2047278											
C215297271	215297-27-1	UK-343664	DTXSID1047289											
C2155706	2155-70-6	Tributyltin methacrylate	DTXSID9035204		-4.93612355	-3.360697697	-1.382180193	-0.852603339			-5.641379632		0.052273497	0.158401692
C21564170	21564-17-0	2-(Thiocyanomethylthio)benzothiazole	DTXSID6032647				-1.996662661	-1.924339949					-3.435260176	
C2164172	2164-17-2	Fluometuron	DTXSID8020628											
C21662099	21662-09-9	(4Z)-4-Decenal	DTXSID5041514						9.838105795					
C21725462	21725-46-2	Cyanazine	DTXSID1023990											
C2176627	2176-62-7	Pentachloropyridine	DTXSID2022179											0.12609321
C219714962	219714-96-2	Penoxsulam	DTXSID0034803											
C219790724	219790-72-4	SB281832	DTXSID5047324										-2.928884482	
C22047490	22047-49-0	2-Ethylhexyl octadecanoate	DTXSID9047178											
C220860504	220860-50-4	CP-457920	DTXSID4047254										5.201929943	4.645925277
C221246124	221246-12-4	Fandosentan potassium salt	DTXSID5047249		-1.09177717	-0.443678296							-1.692652343	
C2212671	2212-67-1	Molinate	DTXSID6024206											
C221671621	221671-62-1	SR146131	DTXSID6047369				-3.094101261	-0.719058823			-3.093839758		0.263540594	-2.838281799
C22224926	22224-92-6	Fenamiphos	DTXSID3024102		5.684040403									4.093167057
C22248799	22248-79-9	Z-Tetrachlorvinphos	DTXSID1032648					4.966412954					5.826208243	4.402263839
C22260511	22260-51-1	Bromocriptine mesylate	DTXSID6020197		10.17464054			7.747479979	12.59715462				7.454448046	
C2231574	2231-57-4	Thiocarbazide	DTXSID7027461										4.447957523	
C2243621	2243-62-1	"1,5-Naphthalenediamine"	DTXSID3020916											
C2244215	2244-21-5	Potassium dichloroisocyanurate	DTXSID5026178											
C22781233	22781-23-3	Bendiocarb	DTXSID9032327											
C22839470	22839-47-0	Aspartame	DTXSID0020107											
C22915737	22915-73-7	"Hexane-1,6-diyl dibenzoate"	DTXSID0047539											
C23031369	23031-36-9	Prallethrin	DTXSID0032572	0.791269926			-0.760384211	-0.905400464					-1.643984893	-1.141479933
C2303175	2303-17-5	Tri-allate	DTXSID5024344			5.277175933	-1.70109658	-1.573562915						
C23089261	23089-26-1	Levomenol	DTXSID4042094											
C230954093	230954-09-3	CP-544439	DTXSID8047266											4.521566434
C2310170	2310-17-0	Phosalone	DTXSID1024259				-0.183352988	-0.27507027	2.765636061				-1.220006299	-0.990522257
C23103982	23103-98-2	Pirimicarb	DTXSID1032569											
C2312358	2312-35-8	Propargite	DTXSID4024276			-1.350850407	-2.166017784	2.322152773					2.774717931	1.136416124
C23135220	23135-22-0	Oxamyl	DTXSID6021086											
C23184669	23184-66-9	Butachlor	DTXSID3034402				-0.983559266	0.312613386		7.329642076			0.387783385	-1.129004753
C2321075	2321-07-5	Fluorescein	DTXSID0038887	-4.581681359	-3.940352126	-3.646679451		-2.32975058					-3.44957307	
C23386529	23386-52-9	Dicyclohexyl sodium sulfosuccinate	DTXSID8027826											
C23422539	23422-53-9	Formetanate hydrochloride	DTXSID4032405											
C2353459	2353-45-9	FD&C Green No. 3	DTXSID3020673		-3.868459623	-2.663774293								-3.703478181
C23564058	23564-05-8	Thiophanate-methyl	DTXSID1024338											
C23564069	23564-06-9	Thiophanate	DTXSID3034531											
C23593751	23593-75-1	Clotrimazole	DTXSID7029871				-1.548893008	-0.693146039			-1.839483362		0.341556839	-0.157409963
C23779320	23779-32-0	1-[3-(Triethoxysilyl)propyl]urea	DTXSID5044493											
C2385855	2385-85-5	Mirex	DTXSID7020895											
C2386870	2386-87-0	UT-632	DTXSID2027466											
C2390605	2390-60-5	Basic Blue 7	DTXSID5038888		-1.840018172	0.123323436	-1.952211822	-0.129127662			-5.2165119		3.31937178	1.256949647
C2392394	2392-39-4	Dexamethasone sodium phosphate	DTXSID3047429	3.401517657	8.796766483				0.209700958		2.723191931	12.60749748		
C23950585	23950-58-5	Propyzamide	DTXSID2020420										-0.941100506	
C2396681	2396-68-1	4-tert-Butylbenzenethiol	DTXSID9048196											
C2409554	2409-55-4	2-tert-Butyl-4-methylphenol	DTXSID2020212				-1.420235115	-1.255546185						
C24157811	24157-81-1	"2,6-Diisopropylnaphthalene"	DTXSID7035272											
C24169026	24169-02-6	Econazole nitrate	DTXSID6025226		0.536094469	1.165282008	-1.158973386	-1.166449474			0.084453761		1.138478499	0.672543467
C2416946	2416-94-6	"2,3,6-Trimethylphenol"	DTXSID6022187											
C2425061	2425-06-1	Captafol	DTXSID4020242				-1.208637075	-0.288445362			-3.469060359		3.652957117	-0.217363949
C2425776	2425-77-6	2-Hexyl-1-decanol	DTXSID1041265					-5.248828197						
C2426086	2426-08-6	Butyl glycidyl ether	DTXSID9024691											
C24307264	24307-26-4	Mepiquat chloride	DTXSID1024170											
C2432873	2432-87-3	Dioctyl succinate	DTXSID0047537											
C2433149	2433-14-9	4-Cyclohexylcyclohexanol	DTXSID3040722	7.012713011	5.40793717				11.12321159					
C2440224	2440-22-4	2-(2H-Benzotriazol-2-yl)-4-methylphenol	DTXSID1027479						10.18993658					
C2445774	2445-77-4	2-Methylbutyl isovalerate	DTXSID4041440											
C2451629	2451-62-9	Triglycidyl isocyanurate	DTXSID4026262					-1.557539612					-1.334057173	-1.703429779
C24549062	24549-06-2	2-Ethyl-6-methylaniline	DTXSID7027833											
C2457014	2457-01-4	Barium bis(2-ethylhexanoate)	DTXSID8044888											
C24602866	24602-86-6	Tridemorph	DTXSID3041376				-1.128101373	-0.576807784						
C2465272	2465-27-2	Auramine hydrochloride	DTXSID9020114					-2.093364295					-3.068574164	-4.826096533
C2467029	2467-02-9	Bisphenol F	DTXSID4022446		5.343434363									6.030524987
C24800440	24800-44-0	Tripropylene glycol	DTXSID7027837											
C24851987	24851-98-7	Methyl dihydrojasmonate	DTXSID2029325		5.749269793									
C2491385	2491-38-5	2-Bromo-4-hydroxyacetophenone	DTXSID4034576											
C2492264	2492-26-4	Sodium 2-mercaptobenzothiolate	DTXSID1026035										-5.103021963	
C249296433	249296-43-3	CJ-013610	DTXSID2047272										1.79070823	1.43608672
C25057890	25057-89-0	Bentazone	DTXSID0023901											
C25155184	25155-18-4	Methylbenzethonium chloride	DTXSID4035708		0.304448341	2.129689799	0.01886391	1.261932318			-1.081649115		1.317566857	0.562807164
C25155300	25155-30-0	Sodium dodecylbenzenesulfonate	DTXSID7025219	1.521815913		3.07865962								
C25168052	25168-05-2	Chlorotoluene	DTXSID0027852											
C25265718	25265-71-8	Dipropylene glycol	DTXSID0027856											
C2528167	2528-16-7	Monobenzyl phthalate	DTXSID9043938											
C25322694	25322-69-4	Polypropylene glycol	DTXSID9027863											
C253450098	253450-09-8	Besonprodil	DTXSID2047270											-3.422638299
C25360105	25360-10-5	tert-Nonanethiol	DTXSID4027868											
C25496724	25496-72-4	Glyceryl monooleate	DTXSID3027875			5.52213697								
C25498491	25498-49-1	Tripropylene glycol monomethyl ether	DTXSID2029329											
C2550405	2550-40-5	Dicyclohexyl disulfide	DTXSID4047628					-1.128794829						
C2554065	2554-06-5	"1,3,5,7-Tetramethyl-1,3,5,7-tetravinylcyclotetrasiloxane"	DTXSID3038808											
C25550985	25550-98-5	Diisodecylphenyl phosphite	DTXSID3027877											
C25606411	25606-41-1	Propamocarb hydrochloride	DTXSID6034849											
C25638179	25638-17-9	Butylnaphthalenesulfonic acid sodium salt	DTXSID2041703						7.024982539					
C25812300	25812-30-0	Gemfibrozil	DTXSID0020652											
C2593159	2593-15-9	Etridiazole	DTXSID3032547											
C25956176	25956-17-6	Allura Red C.I.16035	DTXSID4024436											
C26002802	26002-80-2	Phenothrin	DTXSID7032688					-3.05961834						
C26027383	26027-38-3	Polyoxyethylene(10)nonylphenyl ether	DTXSID2036588				-4.5748818	-4.490682081	1.681740963				-2.334744976	-1.2405223
C26040517	26040-51-7	Bis(2-ethylhexyl) tetrabromophthalate	DTXSID7027887									4.682557329		
C2605790	2605-79-0	"N,N-Dimethyldecylamine oxide"	DTXSID7042190											
C2610119	2610-11-9	C.I. Direct Red 81 disodium salt	DTXSID5041726		-5.557101592	-2.363043926								
C26172554	26172-55-4	5-Chloro-2-methyl-3(2H)-isothiazolone	DTXSID9034286									-0.792397196		
C261947380	261947-38-0	CP-532623	DTXSID7047279											
C26225796	26225-79-6	Ethofumesate	DTXSID8034580											-0.263573246
C262376750	262376-75-0	HMR1426	DTXSID9047338										-1.062971573	-1.9444766
C26264062	26264-06-2	Calcium dodecylbenzene sulfonate	DTXSID1027891			0.092935698	-5.766267399	-5.559330862						
C2627954	2627-95-4	"1,3-Divinyl-1,1,3,3-tetramethyl disiloxane"	DTXSID7038810						6.209819829					
C2634335	2634-33-5	"1,2-Benzisothiazolin-3-one"	DTXSID5032523				-2.037037205	-1.706272886					-0.188806706	-1.283946466
C263553339	263553-33-9	GW473178E methyl benzene sulphonic acid	DTXSID6047313											
C26402266	26402-26-6	Glyceryl monooctanoate	DTXSID8042006											
C26447109	26447-10-9	Ammonium xylene sulfonate	DTXSID1027899											
C264618442	264618-44-2	SSR146977	DTXSID8047341				-1.133900475	-0.475207817					-1.23425085	
C26530201	26530-20-1	Octhilinone	DTXSID1025805		-0.376848312		-0.864444254	-0.373025153					1.387264569	-2.010878187
C26628228	26628-22-8	Sodium azide	DTXSID8020121											
C26644462	26644-46-2	Triforine	DTXSID5032654										6.836468994	
C2675776	2675-77-6	Chloroneb	DTXSID2024793											
C2687254	2687-25-4	"2,3-Diaminotoluene"	DTXSID4027494		0.589434034									
C2687947	2687-94-7	N-Octyl-2-pyrrolidone	DTXSID4036435								13.89937927			
C2687969	2687-96-9	1-Dodecyl-2-pyrrolidinone	DTXSID4042206					-2.346786107						-1.495785273
C26896208	26896-20-8	Neodecanoic acid	DTXSID7027916											
C2694544	2694-54-4	Triallyl trimellitate	DTXSID4044901											
C2696846	2696-84-6	4-Propylaniline	DTXSID5048180											
C2702729	2702-72-9	"2,4-D sodium salt"	DTXSID4027496											
C27090637	27090-63-7	"N,N,N',N'-Tetrabutyl-1,6-hexanediamine"	DTXSID1027920											
C27138314	27138-31-4	Di(propylene glycol) dibenzoate	DTXSID6027921					3.613391045						26.10364791
C27176870	27176-87-0	Dodecylbenzenesulfonic acid	DTXSID6027923			4.296640038		-1.295314011						
C27178161	27178-16-1	Diisodecyl hexanedioate	DTXSID1027924											
C271896	271-89-6	"2,3-Benzofuran"	DTXSID6020141						10.66254501					
C27193868	27193-86-8	Dodecylphenol	DTXSID1027926				-0.388223924	-1.01926743					-0.629930033	-1.650713854
C27253334	27253-33-4	Calcium neodecanoate	DTXSID9044902											
C27306781	27306-78-1	Silwet L77	DTXSID1040611					-6.851071624					-3.703021966	-2.765870888
C27314132	27314-13-2	Norflurazon	DTXSID8024234											
C27323417	27323-41-7	Dodecylbenzene sulfonate triethanolamine(1:1)	DTXSID5027932			1.488134413								
C27344418	27344-41-8	"Disodium 4,4'-bis(2-sulfostyryl)biphenyl"	DTXSID6036467			9.522213604					6.763570253			
C2756561	2756-56-1	Isobornyl propanoate	DTXSID2042062											
C2761242	2761-24-2	Triethoxypentylsilane	DTXSID1042491											
C2772454	2772-45-4	"2,4-Bis(1-methyl-1-phenylethyl)phenol"	DTXSID7029241				0.316026668	-0.076347139			-1.181420909		0.071771324	-0.903323063
C2782572	2782-57-2	Troclosene	DTXSID8024993											
C2783940	2783-94-0	FD&C Yellow 6	DTXSID6021456											
C2795393	2795-39-3	PFOS-K	DTXSID8037706	1.373272738		2.204736194								
C27955948	27955-94-8	"4,4',4""-Ethane-1,1,1-triyltriphenol"	DTXSID2037712	4.771783535	-0.367990281		-1.673599744	-0.900785865	2.429085649	1.612718312			-0.521932194	-0.532801524
C2807309	2807-30-9	2-Propoxyethanol	DTXSID1027500											
C28159980	28159-98-0	Cybutryne	DTXSID3032416										4.115125423	
C28249776	28249-77-6	Thiobencarb	DTXSID6024337											
C283594901	283594-90-1	Spiromesifen	DTXSID1034929											
C2835952	2835-95-2	5-Amino-2-methylphenol	DTXSID9024489											
C28434006	28434-00-6	S-Bioallethrin	DTXSID2039336				-0.759522297	-0.477849228					-1.314097965	-1.157745389
C28631665	28631-66-5	C.I. Acid Blue 22	DTXSID9044904		6.340124857	10.52058406								
C2870328	2870-32-8	C.I. Direct Yellow 12	DTXSID5041728		-3.694482795	1.703999264			-3.986645261					
C28804888	28804-88-8	Dimethylnaphthalene	DTXSID7025130											
C288104790	288104-79-0	Surinabant	DTXSID2047357					-0.418226161					1.057795838	-2.223519349
C288324	288-32-4	Imidazole	DTXSID2029616											
C288880	288-88-0	"1H-1,2,4-Triazole"	DTXSID6027131						4.212379205					
C2893789	2893-78-9	Sodium dichloroisocyanurate	DTXSID3024994											
C289716945	289716-94-5	CP-607366	DTXSID6047280		0.474631916		-0.785291815	-0.773352688						-0.969363869
C290352282	290352-28-2	CP-634384	DTXSID7047306											
C29091212	29091-21-2	Prodiamine	DTXSID1034210				-0.548520039	-1.006348679			-1.668511963		0.206610192	-1.00176144
C29122687	29122-68-7	Atenolol	DTXSID2022628											
C291305061	291305-06-1	UK-373911	DTXSID5047295				0.156812611	0.3506077					-0.633349023	-0.853490218
C2917739	2917-73-9	Dibutyl nonanedioate	DTXSID5044815						6.576010928					
C2919666	2919-66-6	Melengestrol acetate	DTXSID5048184		12.35235869		7.247595629	6.3029649	11.20894455			14.62699791	10.03969684	
C2921882	2921-88-2	Chlorpyrifos	DTXSID4020458				-2.736561304	-2.526106114						
C29232937	29232-93-7	Pirimiphos-methyl	DTXSID0024266	2.958037633										
C2934056	2934-05-6	"2,4-Diisopropylphenol"	DTXSID7042273				-6.643610126	-6.704486439						
C29385431	29385-43-1	Tolyltriazole	DTXSID0026171						6.920828751					
C29387868	29387-86-8	Propylene glycol monobutyl ether	DTXSID6029755											
C29420493	29420-49-3	PFBS-K	DTXSID3037707											
C2943751	2943-75-1	Triethoxyoctylsilane	DTXSID2029246											
C29590429	29590-42-9	Isooctyl acrylate	DTXSID8027955											9.349439222
C2971360	2971-36-0	"2,2-Bis(4-hydroxyphenyl)-1,1,1-trichloroethane"	DTXSID8022325	4.02253922	1.92178688	2.423533849	-0.512120278	-1.425426119			-1.765184771		1.031139153	1.488987234
C298000	298-00-0	Methyl parathion	DTXSID1020855	3.576649802	-0.501928935									-0.296318741
C298022	298-02-2	Phorate	DTXSID4032459											
C298044	298-04-4	Disulfoton	DTXSID0022018											
C298077	298-07-7	Bis(2-ethylhexyl) phosphate	DTXSID1027134			-4.355442748			-0.144624958				-4.815943326	
C298198524	298198-52-4	SSR180711	DTXSID2047359						0.70834546					
C29836268	29836-26-8	Octyl beta-D-glucopyranoside	DTXSID6042234											
C298464	298-46-4	Carbamazepine	DTXSID4022731											
C2996921	2996-92-1	Trimethoxyphenylsilane	DTXSID5040700											
C300765	300-76-5	Naled	DTXSID1024209					-1.048090731					-2.070879382	-2.240374563
C3025307	3025-30-7	"Ethyl (2E,4Z)-deca-2,4-dienoate"	DTXSID0041357				-6.313304768	-6.587589467					-6.247517766	-5.912877297
C3026639	3026-63-9	Sodium tridecyl sulfate	DTXSID4042418			-0.84028644								
C302794	302-79-4	all-trans-Retinoic acid	DTXSID7021239	1.929759481			-1.45425992	-0.225247444						
C3033770	3033-77-0	"N,N,N-Trimethyl(oxiran-2-yl)methanaminium chloride"	DTXSID1044643						5.186306295					
C30399849	30399-84-9	Isooctadecanoic acid	DTXSID2027963											
C30516871	30516-87-1	3'-Azido-3'-deoxythymidine	DTXSID8020127											
C30560191	30560-19-1	Acephate	DTXSID8023846											
C3056175	3056-17-5	Stavudine	DTXSID1023819											
C307244	307-24-4	PFHxA	DTXSID3031862											
C309002	309-00-2	Aldrin	DTXSID8020040				-1.858051286	-1.722626535						-0.784057426
C311455	311-45-5	Paraoxon	DTXSID6024046										4.627148173	4.699677041
C31218834	31218-83-4	Propetamphos	DTXSID7032470											
C313994795	313994-79-5	MK-578	DTXSID0047327											
C314409	314-40-9	Bromacil	DTXSID4022020											
C3147759	3147-75-9	Octrizole	DTXSID9027522				-0.305852804	-1.301250459						
C31519229	31519-22-9	"1,4-Dihydroxy-2-naphthoic acid"	DTXSID0037730		-4.845054985		-5.888397451	-5.382280141					-6.308875111	-4.913701624
C3164850	3164-85-0	Potassium 2-ethylhexanoate	DTXSID4027525											
C3194556	3194-55-6	"1,2,5,6,9,10-Hexabromocyclododecane"	DTXSID4027527					-2.262761472					-3.047020548	-4.250970719
C319857	319-85-7	beta-Hexachlorocyclohexane	DTXSID7020685											
C32388559	32388-55-9	1-Cedr-8-en-9-ylethanone	DTXSID4029353					4.113681246						
C3252435	3252-43-5	Dibromoacetonitrile	DTXSID3024940						0.935927696					
C3268493	3268-49-3	3-(Methylthio)propanal	DTXSID9027528											
C32809168	32809-16-8	Procymidone	DTXSID9033923	12.05570219									6.440704338	9.988546385
C328847	328-84-7	"1,2-Dichloro-4-(trifluoromethyl)benzene"	DTXSID5027142											
C3296900	3296-90-0	"2,2-Bis(bromomethyl)-1,3-propanediol"	DTXSID9020164											
C330541	330-54-1	Diuron	DTXSID0020446		7.93010242									4.821239628
C330552	330-55-2	Linuron	DTXSID2024163	7.597954348	5.987853334								4.698872135	5.698546291
C33089611	33089-61-1	Amitraz	DTXSID5023871					-0.983143461						-1.665304441
C331623064	331623-06-4	MK-547	DTXSID4047331											
C3319311	3319-31-1	Tris(2-ethylhexyl) trimellitate	DTXSID9026265											
C33228443	33228-44-3	4-Pentylaniline	DTXSID0040707						3.011359561					
C33228454	33228-45-4	4-Hexylaniline	DTXSID5040708										5.491363287	
C333415	333-41-5	Diazinon	DTXSID9020407	6.696772408										
C3337711	3337-71-1	Asulam	DTXSID8023890											
C334485	334-48-5	Decanoic acid	DTXSID9021554											
C335671	335-67-1	PFOA	DTXSID8031865											
C335762	335-76-2	PFDA	DTXSID3031860			1.967931942								
C33629479	33629-47-9	Butralin	DTXSID3032337				-1.638649905	-1.052456187						
C33703081	33703-08-1	"Hexanedioic acid, diisononyl ester"	DTXSID5027982											
C3380345	3380-34-5	Triclosan	DTXSID5032498	1.814291454	0.864464526	1.236614542	-0.173594975	3.208852678			-1.558593122		-0.035131933	1.002943765
C33820530	33820-53-0	Isopropalin	DTXSID8024157				-1.709921074	-1.501545038						7.624740285
C3383968	3383-96-8	Temephos	DTXSID1032484	-0.533111954		-0.464648952							-1.670466818	-1.672661639
C3391864	3391-86-4	1-Octen-3-ol	DTXSID3035214											
C33956499	33956-49-9	Codlelure	DTXSID1035288				3.66668721	3.961968501					4.839928418	
C34014181	34014-18-1	Tebuthiuron	DTXSID3024316											
C34256821	34256-82-1	Acetochlor	DTXSID8023848		-0.064568931			-1.57592132					-0.253329774	-1.32798063
C34451199	34451-19-9	Butyl (2S)-2-hydroxypropanoate	DTXSID4042335											
C344930956	344930-95-6	SSR69071	DTXSID1047368				-0.4679864	-0.727671589						
C3452979	3452-97-9	"3,5,5-Trimethyl-1-hexanol"	DTXSID7029661											
C34590948	34590-94-8	Dipropylene glycol monomethyl ether	DTXSID0027983											4.278817326
C349495427	349495-42-7	PharmaGSID_47263	DTXSID3047263										-1.938810325	14.76931666
C35256850	35256-85-0	Butam	DTXSID5041691											
C353280076	353280-07-6	CP-612372	DTXSID1047281				4.851074569	3.687931884						
C35367385	35367-38-5	Diflubenzuron	DTXSID1024049						5.527342495					
C35400432	35400-43-2	Sulprofos	DTXSID8032675											
C3547339	3547-33-9	2-Hydroxyethyl octyl sulfide	DTXSID6032516											
C35554440	35554-44-0	Imazalil	DTXSID8024151	2.957397762	1.92275371		0.34157096	0.490657748			-0.233786799		0.655998769	1.44055663
C35575963	35575-96-3	Azamethiphos	DTXSID9034818					-2.11892051					-2.490009208	-0.94653233
C35691657	35691-65-7	"1,2-Dibromo-2,4-dicyanobutane"	DTXSID3024944				-1.863440267	-1.752864139	1.837684349				-1.799032268	-2.220211085
C361343193	361343-19-3	Elzasonan	DTXSID7047277				0.558207974	-0.107382356					0.193418925	-0.558475831
C361377299	361377-29-9	Fluoxastrobin	DTXSID2034625					-1.971292101					0.594905192	1.322575381
C3622842	3622-84-2	N-Butylbenzenesulfonamide	DTXSID7027540											
C3653483	3653-48-3	MCPA-sodium	DTXSID2034700											
C36631308	36631-30-8	Triisodecyl trimellitate	DTXSID3047180											
C36653824	36653-82-4	1-Hexadecanol	DTXSID4027991											
C36673162	36673-16-2	Isopropyl triethanolamine titanate	DTXSID7044928											
C36734197	36734-19-7	Iprodione	DTXSID3024154											
C3681718	3681-71-8	(3Z)-3-Hexenyl acetate	DTXSID0041484											
C368832422	368832-42-2	CP-728663	DTXSID1047283					0.226996334			1.520075705			
C3691358	3691-35-8	Chlorophacinone	DTXSID2032348		-5.033127396	-2.962838788	-5.091547455						-3.974361003	-5.357127855
C3734336	3734-33-6	Denatonium benzoate	DTXSID8034376	7.213797625										
C3734676	3734-67-6	C.I. Acid Red 1	DTXSID9044663											
C3739386	3739-38-6	3-Phenoxybenzoic acid	DTXSID1038321											
C375859	375-85-9	Perfluoroheptanoic acid	DTXSID1037303											
C375951	375-95-1	PFNA	DTXSID8031863	2.577161991		0.684610114								
C37764253	37764-25-3	Dichlormid	DTXSID4027997											
C3811049	3811-04-9	Potassium chlorate	DTXSID6047448						9.223238214					
C3811732	3811-73-2	Sodium (2-pyridylthio)-N-oxide	DTXSID3042390								-1.859115488		4.515844138	2.819845733
C3825261	3825-26-1	"PFOA, ammonium salt"	DTXSID8037708			5.90751662								
C3844459	3844-45-9	FD&C Blue No. 1	DTXSID2020189		1.017477626	1.862348858								0.980332068
C3855321	3855-32-1	"2,6,10-Trimethyl-2,6,10-triazaundecane"	DTXSID1044564						7.452553996					
C3871996	3871-99-6	PFHS-K	DTXSID3037709											
C3913028	3913-02-8	2-Butyloctan-1-ol	DTXSID0044818											
C39236469	39236-46-9	Imidazolidinyl urea	DTXSID2040151											
C3926623	3926-62-3	Sodium chloroacetate	DTXSID1027550											
C39300453	39300-45-3	Dinocap	DTXSID3040352			-1.024647124	-2.601395116	-0.744096036					0.670622444	0.697764852
C39515418	39515-41-8	Fenpropathrin	DTXSID0024002										0.880836083	-2.275561246
C39905572	39905-57-2	4-Hexyloxyaniline	DTXSID4022288										5.037300122	
C402910274	402910-27-4	UK-416244	DTXSID0047290				-1.983752304	-1.945910516					-1.611390948	
C40487421	40487-42-1	Pendimethalin	DTXSID7024245				-1.207123522	-2.211651122						-0.329545448
C40649363	40649-36-3	4-Propylcyclohexanone	DTXSID9048198											
C4065456	4065-45-6	Sulisobenzone	DTXSID2042436											
C4098719	4098-71-9	Isophorone diisocyanate	DTXSID0023826											
C4107986	4107-98-6	"N,N-Diisopropylaniline"	DTXSID8042189											
C41198087	41198-08-7	Profenofos	DTXSID3032464				-0.910669467						-0.74652827	
C4130421	4130-42-1	"2,6-Di-tert-butyl-4-ethylphenol"	DTXSID0029262					4.304782274						
C41372081	41372-08-1	Methyldopa sesquihydrate	DTXSID5020863											
C41372207	41372-20-7	Apomorphine hydrochloride hydrate	DTXSID0048185					-3.808234448					-5.460054814	-4.769016283
C41481667	41481-66-7	"4,4'-Sulfonylbis[2-(prop-2-en-1-yl)phenol]"	DTXSID9047598	1.479994854	-0.565919177	2.302122594	-1.036007527	-1.79923756					-0.611236756	
C4151502	4151-50-2	Sulfluramid	DTXSID1032646					-0.592726607						
C4180238	4180-23-8	(E)-Anethole	DTXSID9020087											
C420042	420-04-2	Cyanamide	DTXSID9034490											
C42509808	42509-80-8	Isazofos	DTXSID7034676											
C427510	427-51-0	Cyproterone acetate	DTXSID5020366	5.160300118	9.985093052	7.828341284	6.088254831	4.376763703	3.799476775			5.008224036	5.802154221	-0.984315209
C42874033	42874-03-3	Oxyfluorfen	DTXSID7024241										-1.533633212	-0.378673192
C4291638	4291-63-8	Cladribine	DTXSID8022828									13.0920193		
C43121433	43121-43-3	Triadimefon	DTXSID3023897	1.23977096	0.379988791									
C43222486	43222-48-6	Difenzoquat metilsulfate	DTXSID6024048										-2.505372367	-0.382756257
C4342363	4342-36-3	Tributyltin benzoate	DTXSID5034981		-3.768074189	-2.37863563	-0.265871809	-0.124615067			-4.868635519		0.753992104	1.493721633
C4344552	4344-55-2	4-Butyloxyaniline	DTXSID4048199							7.734778622				
C4376185	4376-18-5	Monomethyl phthalate	DTXSID9040001											
C4376209	4376-20-9	MEHP	DTXSID2025680											
C439687691	439687-69-1	Nelivaptan	DTXSID7047358		0.950045138		0.366467292	-0.319181626	3.07381628				0.634048404	-0.576012626
C4418262	4418-26-2	Sodium dehydroacetate	DTXSID7026029											
C4437858	4437-85-8	Butylene carbonate	DTXSID9040342											
C444610917	444610-91-7	PharmaGSID_47315	DTXSID6047315		-1.324047453	1.468342582		-0.728700252					-0.36438798	-2.680149835
C4449518	4449-51-8	Cyclopamine	DTXSID6043709											
C445295045	445295-04-5	CP-671305	DTXSID6047282											
C4455269	4455-26-9	N-Methyldioctylamine	DTXSID9042209											
C446720	446-72-0	Genistein	DTXSID5022308										-1.302898116	
C4468422	4468-42-2	3-Phenylhexane	DTXSID4041492											
C446866	446-86-6	Azathioprine	DTXSID4020119					-0.939980352						
C451401	451-40-1	"1,2-Diphenylethanone"	DTXSID6044430											
C4548532	4548-53-2	FD&C Red 4	DTXSID2021234											
C4553622	4553-62-2	2-Methylpentanedinitrile	DTXSID4025612											
C4574043	4574-04-3	"Myristyltrimethylammonium chlorideN,N,N-Trimethyltetradecan-1-aminium chloride"	DTXSID9041289			-0.192762223	-0.126370816	-0.092513799					0.680745959	0.438320187
C460004	460-00-4	1-Bromo-4-fluorobenzene	DTXSID4027153											
C460081996	460081-99-6	PharmaGSID_48510	DTXSID9048510	10.47396177	2.367739067	0.975710727	-0.704614868	-1.294564107					-0.935356967	-0.886566573
C4602840	4602-84-0	Farnesol	DTXSID3032389				3.682153767	3.739525584					4.812546108	
C461023632	461023-63-2	Aplaviroc hydrochloride	DTXSID1047316					-0.068769748					2.774590546	
C461585	461-58-5	Cyanoguanidine	DTXSID1020354											
C463401	463-40-1	Linolenic acid	DTXSID7025506			-3.679083774		-5.973562216						
C4638486	4638-48-6	5-Chlorosalicylanilide	DTXSID9037749										-3.57326973	-4.137999384
C464493	464-49-3	D-Camphor	DTXSID4024721											
C4707475	4707-47-5	"Methyl 2,4-dihydroxy-3,6-dimethylbenzoate"	DTXSID9041653		6.113373827									5.633639324
C470826	470-82-6	"1,8-Cineol"	DTXSID4020616											
C4712554	4712-55-4	Diphenyl phosphite	DTXSID7041889											
C473289622	473289-62-2	Ilepatril	DTXSID7047356											
C474862	474-86-2	Equilin	DTXSID7047433	4.492831022	1.066920619		4.544075739	3.347949194	5.75655168			1.208780319	-0.832041967	5.122193215
C478149530	478149-53-0	PHA-00543613	DTXSID6047284						3.824288123					
C478263988	478263-98-8	AVE3295	DTXSID5047372										-1.675704291	
C480400	480-40-0	Chrysin	DTXSID1022396										-6.50205512	
C480637	480-63-7	"2,4,6-Trimethylbenzoic acid"	DTXSID6048200											
C484173	484-17-3	9-Phenanthrol	DTXSID9047592	-1.163912992	-0.602460936	0.947059979	0.097287687	0.849587784					0.169270703	-0.245576576
C486566	486-56-6	Cotinine	DTXSID1047576											
C486668	486-66-8	Daidzein	DTXSID9022310									-2.639786996	-0.774458929	
C487069	487-06-9	"5,7-Dimethoxy-2H-chromen-2-one"	DTXSID1041421											
C489010	489-01-0	"2,6-Di-tert-butyl-4-methoxyphenol"	DTXSID8041379											
C4904614	4904-61-4	"1,5,9-Cyclododecatriene"	DTXSID8027581											
C491805	491-80-5	Biochanin A	DTXSID1022394										-5.310935516	
C493527	493-52-7	Methyl red	DTXSID1042154					-4.524361311					-5.07689343	-5.179180118
C4940118	4940-11-8	2-Ethyl-3-hydroxy-4H-pyran-4-one	DTXSID5041516						4.278762749					
C49562289	49562-28-9	Fenofibrate	DTXSID2029874					-0.605731343					-0.269849119	-0.086579427
C496468	496-46-8	Glycoluril	DTXSID6031380											
C496720	496-72-0	"3,4-Diaminotoluene"	DTXSID9024930									-2.691995541		
C499752	499-75-2	Isopropyl-o-cresol	DTXSID6042074		6.383005966									
C499832	499-83-2	"2,6-Pyridinedicarboxylic acid"	DTXSID7022043											
C500389	500-38-9	Nordihydroguaiaretic acid	DTXSID5022437			1.53235325	-5.281546888	-6.305877256					-5.146868623	-5.971271129
C501027492	501027-49-2	PD-0333941	DTXSID2047307											
C50146	50-14-6	Ergocalciferol	DTXSID5020233		-5.072125376		-6.449529351	-6.212567654					-4.927946339	-6.645487006
C50215	50-21-5	Lactic acid	DTXSID7023192											
C50226	50-22-6	Corticosterone	DTXSID6022474	9.141698759	2.05173376	1.206635986	0.200577196	0.252777709	3.294850477		6.620450852	8.177607529		
C50271	50-27-1	Estriol	DTXSID9022366	6.27250743				4.566013237					5.92999018	9.57867046
C50282	50-28-2	17beta-Estradiol	DTXSID0020573	11.87630864	9.203768607	6.208506301	8.268526926	8.403828627	8.183838451	-0.053564172	3.366236512	3.504372241	-1.647264853	
C50293	50-29-3	"p,p'-DDT"	DTXSID4020375				-2.112154976	-1.47397509						-0.015276658
C50351	50-35-1	Thalidomide	DTXSID9022524											
C50419	50-41-9	Clomiphene citrate (1:1)	DTXSID8020337	6.326113341	2.532084501	4.134776486	-0.600623528	-0.047893824					0.02964397	-0.668686442
C50471448	50471-44-8	Vinclozolin	DTXSID4022361	7.893524607			1.092008384	1.141289978	3.788239071				2.095267231	6.622570055
C50555	50-55-5	Reserpine	DTXSID7021237		0.39389582		-1.135426556	0.149264675					1.164561816	-1.037150684
C50594666	50594-66-6	Acifluorfen	DTXSID0020022										4.855101682	
C50657	50-65-7	Niclosamide	DTXSID7040362										-0.795717928	-2.324318259
C50704	50-70-4	D-Glucitol	DTXSID5023588											
C50782	50-78-2	Aspirin	DTXSID5020108											
C50817	50-81-7	L-Ascorbic acid	DTXSID5020106											
C50892234	50892-23-4	Pirinixic acid	DTXSID4020290											
C510156	510-15-6	Chlorobenzilate	DTXSID9020299	1.812755476	2.121890708		-1.307589337	-0.414096968					0.347159425	0.651053201
C51036	51-03-6	Piperonyl butoxide	DTXSID1021166											
C51058	51-05-8	Procaine hydrochloride	DTXSID1044435											
C5116949	5116-94-9	Monotridecyl phosphate	DTXSID0042169			-3.488482992		-5.844324696	-0.727629364				-2.595882384	
C51218	51-21-8	5-Fluorouracil	DTXSID2020634											
C51218452	51218-45-2	Metolachlor	DTXSID4022448											
C51229788	51229-78-8	Chloroallyl methenamine chloride	DTXSID0035748	10.75775886	9.794783479		3.637809618	3.538147443						
C51235042	51235-04-2	Hexazinone	DTXSID4024145					5.101675779						
C51241	51-24-1	Tiratricol	DTXSID2045232			3.266792323							-0.527838452	
C512425	512-42-5	Sodium methyl sulfate	DTXSID0042406											
C512561	512-56-1	Trimethyl phosphate	DTXSID1021403											
C51285	51-28-5	"2,4-Dinitrophenol"	DTXSID0020523										-0.357376746	-0.460756578
C51309	51-30-9	Isoproterenol hydrochloride	DTXSID6025486											
C51338273	51338-27-3	Diclofop-methyl	DTXSID0032605											
C5137553	5137-55-3	Methyltrioctylammonium chloride	DTXSID1044487		-0.968080138	0.377293587	0.619833954	0.796748416			-2.266984816		0.800569631	-0.008949712
C5138181	5138-18-1	Sulfosuccinic acid	DTXSID8042426											
C5146667	5146-66-7	"3,7-Dimethyl-2,6-octadienenitrile"	DTXSID3036286											
C51525	51-52-5	6-Propyl-2-thiouracil	DTXSID5021209											
C5153253	5153-25-3	2-Ethylhexylparaben	DTXSID4022525			2.351767274	-0.432516875	-1.614398839	4.227022982					-0.925632286
C51580860	51580-86-0	Sodium dichloro-s-triazinetrione dihydrate	DTXSID0029761											
C51630581	51630-58-1	Fenvalerate	DTXSID3020621											
C51632167	51632-16-7	1-(Bromomethyl)-3-phenoxybenzene	DTXSID6028022		5.477134612									4.778540442
C51707552	51707-55-2	Thidiazuron	DTXSID0032651										0.916593605	-0.524670199
C51796	51-79-6	Urethane	DTXSID9021427											
C52017	52-01-7	Spironolactone	DTXSID6034186	8.920031454	10.00542236	6.742782415	8.887396209	8.10046946	11.89769805		10.66883712	8.664102737	0.795485492	
C520183	520-18-3	Kaempferol	DTXSID7020768										5.751033292	5.79830064
C520365	520-36-5	Apigenin	DTXSID6022391		-4.000654005			-5.697315879			10.59061116		-5.119689058	-5.343274761
C520456	520-45-6	Dehydroacetic acid	DTXSID6020014											
C521186	521-18-6	5alpha-Dihydrotestosterone	DTXSID9022364	15.51837002	7.811608214	10.38958448	19.21342805	16.75352759	9.316935607	7.216454178	13.46573163	15.84176445		
C5216251	5216-25-1	4-Chlorobenzotrichloride	DTXSID2027593											
C52225204	52225-20-4	dl-alpha-Tocopheryl acetate	DTXSID3021356											
C52315078	52315-07-8	Cypermethrin	DTXSID1023998											
C5234684	5234-68-4	Carboxin	DTXSID0023951											
C52517	52-51-7	Bronopol	DTXSID8024652				-1.120332392	-1.115744844					-1.738639344	
C525791	525-79-1	Kinetin	DTXSID9035175											
C525826	525-82-6	Flavone	DTXSID2022048										5.152251134	5.638184138
C52645531	52645-53-1	Permethrin	DTXSID8022292						1.188506626					
C526750	526-75-0	"2,3-Dimethylphenol"	DTXSID6025143											
C52686	52-68-6	Trichlorfon	DTXSID0021389											
C527606	527-60-6	"2,4,6-Trimethylphenol"	DTXSID7022049											
C527680564	527680-56-4	PHA-00568487	DTXSID1047285											
C52806538	52806-53-8	Hydroxyflutamide	DTXSID8033562	8.756984238	8.971667857	3.443937956	3.176686144	2.857203369	4.510186837			3.945688653	5.215054597	9.928532481
C528290	528-29-0	"1,2-Dinitrobenzene"	DTXSID4024066		1.495586732		-0.587835495	0.472749316					-0.320539226	0.544937936
C52868	52-86-8	Haloperidol	DTXSID4034150				-2.048990176							
C52918635	52918-63-5	Deltamethrin	DTXSID8020381											
C53032	53-03-2	Prednisone	DTXSID4021185	8.510539269	5.927468643						15.17037701	7.056907804		
C53112280	53112-28-0	Pyrimethanil	DTXSID8034877											
C5315797	5315-79-7	1-Hydroxypyrene	DTXSID1038298		1.299840399		-1.176715448	-1.684423332						0.201207202
C53167	53-16-7	Estrone	DTXSID4022367	8.086296371	5.638225608		0.51747417	3.846819638	9.622989272			2.032533098	4.078985188	
C53190	53-19-0	"o,p'-DDD"	DTXSID9020372				-5.676737283	-6.449689437					-5.292357187	-3.539271287
C532025	532-02-5	Sodium 2-naphthalenesulfonate	DTXSID4041442											
C53219219	53219-21-9	Dihydromyrcenol	DTXSID6041557											
C532274	532-27-4	2-Chloroacetophenone	DTXSID9020293				-1.445289071	-0.582204995			-2.613690851			-2.94833117
C532321	532-32-1	Sodium benzoate	DTXSID1020140											
C5329146	5329-14-6	Sulfamic acid	DTXSID6034005											
C533233	533-23-3	"2,4-D-ethyl ester"	DTXSID1041346											
C5333426	5333-42-6	2-Octyl-1-dodecanol	DTXSID3036288											
C533744	533-74-4	Dazomet	DTXSID7024902					-2.65087035					0.206713025	1.801888945
C534134	534-13-4	"N,N'-Dimethylthiourea"	DTXSID2042191											
C53430	53-43-0	Dehydroepiandrosterone	DTXSID4020379		9.257540443	6.950702729	5.224336109	4.112003102					5.472263492	8.305055191
C534521	534-52-1	"2-Methyl-4,6-dinitrophenol"	DTXSID1022053					-0.370090812					0.46928379	0.637526953
C5349519	5349-51-9	4-(2-Methylbutan-2-yl)cyclohexanol	DTXSID9040716		2.118816232									
C53703	53-70-3	"Dibenz(a,h)anthracene"	DTXSID9020409									8.068610284		
C53861	53-86-1	Indomethacin	DTXSID9020740											
C53894238	53894-23-8	Triisononyl trimellitate	DTXSID5028033											
C5392405	5392-40-5	"3,7-Dimethyl-2,6-octadienal"	DTXSID6024836											
C53939289	53939-28-9	(Z)-11-Hexadecenal	DTXSID1032303											
C5394365	5394-36-5	5-Ethyl-5-methylhydantoin	DTXSID9041368											
C540181	540-18-1	Pentyl butyrate	DTXSID4041604											
C5407987	5407-98-7	Cyclobutyl phenyl ketone	DTXSID1048201											
C540885	540-88-5	tert-Butyl acetate	DTXSID1022055						8.73524852					
C541026	541-02-6	Decamethylcyclopentasiloxane	DTXSID1027184		12.23535443									
C54115	54-11-5	Nicotine	DTXSID1020930											
C541731	541-73-1	"1,3-Dichlorobenzene"	DTXSID6022056											3.833827268
C542927	542-92-7	"1,3-Cyclopentadiene"	DTXSID0027191											
C5437456	5437-45-6	Benzyl bromoacetate	DTXSID4040343						7.691963585					
C544638	544-63-8	Tetradecanoic acid	DTXSID6021666											
C544763	544-76-3	Hexadecane	DTXSID0027195											
C54593838	54593-83-8	Chlorethoxyfos	DTXSID2032344											
C54626	54-62-6	4-Aminofolic acid	DTXSID3022588											
C54853	54-85-3	Isoniazid	DTXSID8020755											
C548629	548-62-9	Gentian Violet	DTXSID5020653		-1.480247323	0.453862211	1.75339031	4.860410047					4.87928001	1.96524674
C54965241	54965-24-1	Tamoxifen citrate	DTXSID8021301		-0.922825636		-2.252237307	-0.298598156			-2.059479729		0.700225704	-1.869980904
C550447	550-44-7	N-Methylphthalimide	DTXSID5027198											
C55185	55-18-5	N-Nitrosodiethylamine	DTXSID2021028											
C55219653	55219-65-3	Triadimenol	DTXSID0032493	0.008292169	-1.34212741									
C552307	552-30-7	Trimellitic anhydride	DTXSID7026235											
C55283686	55283-68-6	Ethalfluralin	DTXSID8032386				-1.570761929							-1.730454406
C55285148	55285-14-8	Carbosulfan	DTXSID5023950				-0.760790346	-0.473596511					-0.023849287	
C55290647	55290-64-7	Dimethipin	DTXSID0024052											
C553264	553-26-4	"4,4'-Bipyridine"	DTXSID2027200											
C55335063	55335-06-3	Triclopyr	DTXSID0032497											
C5536618	5536-61-8	Sodium methacrylate	DTXSID9044823											
C553708	553-70-8	Magnesium dibenzoate	DTXSID1044693											
C55389	55-38-9	Fenthion	DTXSID8020620	2.337288695										0.557483617
C55406536	55406-53-6	3-Iodo-2-propynyl-N-butylcarbamate	DTXSID0028038				-1.462921177	-0.557505465					-0.87026492	-1.055677506
C55512339	55512-33-9	Pyridate	DTXSID2032639											
C55589623	55589-62-3	Acesulfame potassium	DTXSID1030606											
C556525	556-52-5	Glycidol	DTXSID4020666											
C556616	556-61-6	Methyl isothiocyanate	DTXSID2027204											
C556672	556-67-2	Octamethylcyclotetrasiloxane	DTXSID7027205											
C55814410	55814-41-0	Mepronil	DTXSID1037565											
C55934935	55934-93-5	Tripropylene glycol butyl ether	DTXSID8042503											
C55981	55-98-1	Busulfan	DTXSID3020910											
C5598130	5598-13-0	Chlorpyrifos-methyl	DTXSID6032352											
C5598152	5598-15-2	Chlorpyrifos oxon	DTXSID1038666					-1.481655429					-1.737391923	
C56042	56-04-2	6-Methyl-2-thiouracil	DTXSID2020890											
C563122	563-12-2	Ethion	DTXSID2024086	0.448649324									-2.017826322	
C56375792	56375-79-2	"N,N-Dibutyl-N-methylbutan-1-aminium chloride"	DTXSID5044443											
C56382	56-38-2	Parathion	DTXSID7021100	2.938513979										1.512924056
C56531	56-53-1	Diethylstilbestrol	DTXSID3020465	6.483313982	0.667305751	3.326682466	-0.843635054	-1.299461967					-0.335424724	-0.201145724
C56553	56-55-3	Benz(a)anthracene	DTXSID5023902	-1.178088591								-2.666403568		
C56724	56-72-4	Coumaphos	DTXSID2020347					-2.189299134					-2.056586312	-2.583714894
C56815	56-81-5	Glycerol	DTXSID9020663											
C56951	56-95-1	Chlorhexidine diacetate	DTXSID7032345		-1.258845267	-0.550680945	-0.655858447	0.403035239			-2.802687478		1.526160271	-1.574492756
C5700492	5700-49-2	"1,2-Ethanediamine dihydriodide"	DTXSID5044570											
C57067	57-06-7	Allyl isothiocyanate	DTXSID3020047											
C57090	57-09-0	Hexadecyltrimethylammonium bromide	DTXSID5037028				2.886163495	2.757905865					0.424154059	0.56721823
C57103	57-10-3	Hexadecanoic acid	DTXSID2021602											
C57114	57-11-4	Octadecanoic acid	DTXSID8021642											
C57136	57-13-6	Urea	DTXSID4021426											5.770753892
C57147	57-14-7	"1,1-Dimethylhydrazine"	DTXSID1020516											
C571584	571-58-4	"1,4-Dimethylnaphthalene"	DTXSID8035423											
C57307	57-30-7	Phenobarbital sodium	DTXSID0021123											
C57410	57-41-0	"5,5-Diphenylhydantoin"	DTXSID8020541											
C57501	57-50-1	Sucrose	DTXSID2021288											
C57556	57-55-6	"1,2-Propylene glycol"	DTXSID0021206											
C576261	576-26-1	"2,6-Dimethylphenol"	DTXSID9024063											
C57636	57-63-6	17alpha-Ethinylestradiol	DTXSID5020576	10.08157356	2.898990729	1.457363869	1.825457053	4.897927452	1.451190043				1.986643641	5.219210521
C577117	577-11-7	Docusate sodium	DTXSID8022959		0.555751785	2.883445967	0.475042399				0.817549691			
C57749	57-74-9	Chlordane	DTXSID7020267				-0.568507388	-0.499223629			-1.126726358		0.012497899	-0.639749216
C57754855	57754-85-5	Clopyralid-olamine	DTXSID6034265											
C57830	57-83-0	Progesterone	DTXSID3022370	9.95575328	6.857191414	6.678947073	7.760468658	4.82278277	6.020584231		9.076435371	3.495174895	-1.376913116	-1.777623743
C57837191	57837-19-1	Metalaxyl	DTXSID6024175						12.85279382					
C57852	57-85-2	Testosterone propionate	DTXSID9036515	9.893972345	5.548479567	5.741041064	11.65692483	12.63397599	13.86852995	6.045512636	13.35514332	15.04410341	-1.148708904	
C57910	57-91-0	17alpha-Estradiol	DTXSID8022377	6.567801786	8.968047768	5.613929187	8.184053462	8.63407889	9.746202919	0.607332369	2.896169061	1.77258487	5.330076979	4.858882208
C579668	579-66-8	"2,6-Diethylaniline"	DTXSID6027218											
C57966957	57966-95-7	Cymoxanil	DTXSID6032358											
C57976	57-97-6	"7,12-Dimethylbenz(a)anthracene"	DTXSID1020510				1.179243023	1.079245507					0.35052935	0.039877017
C58082	58-08-2	Caffeine	DTXSID0020232											0.28133483
C58140	58-14-0	Pyrimethamine	DTXSID9021217											-1.822197023
C58184	58-18-4	17-Methyltestosterone	DTXSID1033664	14.50729154	12.23370805	9.87946714	19.31081414	17.17568794	8.324174547	15.43271697	12.83590103	15.4854784		
C583788	583-78-8	"2,5-Dichlorophenol"	DTXSID7025003											
C58394642	58394-64-2	Benzyloctyl adipate	DTXSID1047528											
C584134	584-13-4	"4-Amino-1,2,4-triazole"	DTXSID9033058											
C58430947	58430-94-7	"3,5,5-Trimethylhexyl acetate"	DTXSID0041270											
C584792	584-79-2	Allethrin	DTXSID8035180		-0.055072683		-0.193165616	0.190551038					-0.588060007	-0.978795537
C584849	584-84-9	"Toluene-2,4-diisocyanate"	DTXSID7026156											
C5850862	5850-86-2	"C.I. Acid Orange 8, monosodium salt"	DTXSID2041709			-3.396691508								
C585342	585-34-2	3-tert-Butylphenol	DTXSID9044825											
C58559	58-55-9	Theophylline	DTXSID5021336						11.25025317					
C58560	58-56-0	Pyridoxine hydrochloride	DTXSID1040792											
C586629	586-62-9	Terpinolene	DTXSID0027222											
C5870939	5870-93-9	Heptyl butanoate	DTXSID0042038											
C58720	58-72-0	Triphenylethylene	DTXSID3022320				3.700409752	3.941447903						4.776809938
C587655	587-65-5	2-Chloro-N-phenylacetamide	DTXSID3041409				-6.528744408	-5.061739465					-3.911962121	-5.816206568
C5877429	5877-42-9	4-Ethyloct-1-yn-3-ol	DTXSID1044697				3.729071846	4.072768435						
C587859	587-85-9	Diphenylmercury(II)	DTXSID3042130				-5.230471057	-5.760153312					-5.258006572	
C58846778	58846-77-8	Decyl beta-D-glucopyranoside	DTXSID2041208										4.760083879	
C58855	58-85-5	Biotin	DTXSID7022679											
C58866	58-86-6	D-Xylose	DTXSID0023745											
C588941451	588941-45-1	PharmaGSID_48506	DTXSID5048506	-0.200565627	-0.120239218	1.69854405		-2.069147729					-0.398716128	-1.631462968
C58899	58-89-9	Lindane	DTXSID2020686											
C58935	58-93-5	Hydrochlorothiazide	DTXSID2020713											
C589684	589-68-4	"Tetradecanoic acid, 2,3-dihydroxypropyl ester"	DTXSID0042454											
C5902512	5902-51-2	Terbacil	DTXSID8024317											
C59052	59-05-2	Methotrexate	DTXSID4020822											
C5915413	5915-41-3	Terbuthylazine	DTXSID4027608											
C59227893	59227-89-3	Laurocapram	DTXSID0042086				-5.692104719	-5.616305831					-5.217439614	-6.254699057
C59303	59-30-3	Folic acid	DTXSID0022519											
C59405	59-40-5	Sulfaquinoxaline	DTXSID8042424									4.766346383		
C594207	594-20-7	"2,2-Dichloropropane"	DTXSID7030060											
C59507	59-50-7	4-Chloro-3-methylphenol	DTXSID4021717											
C59669260	59669-26-0	Thiodicarb	DTXSID0032578				-1.606105963	-2.500156775						-2.692604927
C59676	59-67-6	Nicotinic acid	DTXSID1020932											
C59756604	59756-60-4	Fluridone	DTXSID8024107											
C598550	598-55-0	Methyl carbamate	DTXSID8020834											
C59870	59-87-0	Nitrofurazone	DTXSID5020944	0.34769899										
C599644	599-64-4	4-Cumylphenol	DTXSID3022536	1.415774598	0.263019483	0.584049497	-0.456579264	-0.299826653					0.200291229	1.045020239
C599791	599-79-1	Sulfasalazine	DTXSID0021256	3.374329358	2.676426071									
C60093	60-09-3	4-Aminoazobenzene	DTXSID6024460										-1.074557673	
C60128	60-12-8	2-Phenylethanol	DTXSID9026342											
C60168889	60168-88-9	Fenarimol	DTXSID2032390					-1.552806352					-1.742168214	-1.586282031
C602017	602-01-7	"2,3-Dinitrotoluene"	DTXSID4027236		0.509927819									
C60207901	60207-90-1	Propiconazole	DTXSID8024280	0.542674192	1.191029294		-1.478105306	-0.321354927					-0.308081565	-0.353352557
C60333	60-33-3	Linoleic acid	DTXSID2025505		-5.157368778	-4.108950937		-6.788375295						
C603350	603-35-0	Triphenylphosphine	DTXSID5026251											
C60355	60-35-5	Acetamide	DTXSID7020005											
C604751	604-75-1	Oxazepam	DTXSID1021087		9.421727312		5.88376888	5.891134209				10.13733912		
C60515	60-51-5	Dimethoate	DTXSID7020479											
C605458	605-45-8	Diisopropyl phthalate	DTXSID2040731											
C60548	60-54-8	Tetracycline	DTXSID7023645		5.370001043	5.890651519								
C6055192	6055-19-2	Cyclophosphamide monohydrate	DTXSID6024888											
C60560	60-56-0	Methimazole	DTXSID4020820						5.084467945					
C60571	60-57-1	Dieldrin	DTXSID9020453				-1.298738969						-1.288277209	-2.264031234
C606202	606-20-2	"2,6-Dinitrotoluene"	DTXSID5020528											
C6088513	6088-51-3	6-Hydroxy-2-naphthyl disulfide	DTXSID7025429		-5.162006806		-5.919602676	-6.202540943					-4.841103099	-5.260566284
C609541	609-54-1	"2,5-Dimethylbenzenesulfonic acid"	DTXSID5041641											
C611201	611-20-1	2-Hydroxybenzonitrile	DTXSID3041661				5.039240079	4.425878173	4.548712595					
C611701	611-70-1	Isopropyl phenyl ketone	DTXSID6048202											
C612828	612-82-8	"3,3'-Dimethylbenzidine dihydrochloride"	DTXSID6020511		10.50714078					8.442314652				7.611673473
C614459	614-45-9	tert-Butyl perbenzoate	DTXSID9024699				-2.149780775	-1.257090229						
C6149037	6149-03-7	Sodium 4-octylbenzenesulfonate	DTXSID9047594			6.114127165								
C6152336	6152-33-6	Sodium 2-phenylphenate tetrahydrate	DTXSID1040794		5.751777349	5.570049017								
C6153646	6153-64-6	Oxytetracycline dihydrate	DTXSID4023412		6.197551649									
C616455	616-45-5	2-Pyrrolidinone	DTXSID8027246											
C61734	61-73-4	Methylene blue	DTXSID0023296		-3.537032811		-5.205684912	-6.024134772					-2.55950857	-1.227965314
C61791126	61791-12-6	Cremophor EL	DTXSID2047696											
C61825	61-82-5	Amitrole	DTXSID0020076											
C618451	618-45-1	3-Isopropylphenol	DTXSID0044571											
C6190654	6190-65-4	Deethylatrazine	DTXSID5037494											
C620177	620-17-7	3-Ethylphenol	DTXSID0022480											
C621647	621-64-7	N-Nitrosodipropylamine	DTXSID6021032											
C62237	62-23-7	4-Nitrobenzoic acid	DTXSID3020966											
C622979	622-97-9	4-Methylstyrene	DTXSID3020889						10.57608664					
C62384	62-38-4	Phenylmercuric acetate	DTXSID7021150	-4.903710713	-5.488331203		-2.756312021	-0.900333797			-3.31036494		-0.138544684	0.496878229
C625114412	625114-41-2	Piragliatin	DTXSID3048520											
C625558	625-55-8	Isopropyl formate	DTXSID2027258										-6.334289821	
C62566	62-56-6	Thiourea	DTXSID9021348											
C6259763	6259-76-3	Hexyl salicylate	DTXSID4038924											
C626437	626-43-7	"3,5-Dichloroaniline"	DTXSID7030307											
C627189	627-18-9	3-Bromo-1-propanol	DTXSID3024657											
C62737	62-73-7	Dichlorvos	DTXSID5020449											
C62748	62-74-8	Sodium fluoroacetate	DTXSID8024311											
C62759	62-75-9	N-Nitrosodimethylamine	DTXSID7021029											
C627930	627-93-0	Dimethyl adipate	DTXSID8025096											
C6285058	6285-05-8	Ethyl 4-chlorophenyl ketone	DTXSID1048203											
C628637	628-63-7	Pentyl acetate	DTXSID1027263											
C62924703	62924-70-3	Flumetralin	DTXSID7032553										-1.697005208	-2.068872013
C629629	629-62-9	Pentadecane	DTXSID6027268											
C629765	629-76-5	1-Pentadecanol	DTXSID0027270											
C630568	630-56-8	Hydroxyprogesterone caproate	DTXSID6043915		-0.163986911		-4.647190455	-4.350391688				3.630064481	-4.327458012	-4.658597299
C63058	63-05-8	"4-Androstene-3,17-dione"	DTXSID8024523	5.832135063	6.779103133	1.736068341	5.730001564	5.926035344	12.12444765	5.767530271	6.83383929	9.695069739		
C6317186	6317-18-6	Methylene bis(thiocyanate)	DTXSID8025599				-0.958867318	-0.869503818					-1.372160584	-1.712853732
C63252	63-25-2	Carbaryl	DTXSID9020247											
C633965	633-96-5	C.I. Acid Orange 7	DTXSID0038881			-4.427129742								
C63423	63-42-3	Lactose	DTXSID2023193											
C6344678	6344-67-8	3-Hydroxyfluorene	DTXSID9047540	1.188338957	0.569117022		-1.725231776	-1.282096862						1.145527602
C63449412	63449-41-2	Benzyl-C8-18-alkyldimethylammonium chlorides	DTXSID1048122				0.209987884	0.211643529			-2.007793395		-0.030268879	0.965172024
C6359826	6359-82-6	Acid Yellow 11	DTXSID5047451						-5.384069752					
C6359906	6359-90-6	"C.I. Acid Yellow 34, monosodium salt"	DTXSID0041646											
C6359984	6359-98-4	"C.I. Acid Yellow 17, disodium salt"	DTXSID6041719											
C63612500	63612-50-0	Nilutamide	DTXSID3034165	12.09363642	4.092382484	-0.203887365	-0.458676995	-0.823860798					2.188624409	5.65012208
C636215	636-21-5	2-Methylaniline hydrochloride	DTXSID7021364											
C637070	637-07-0	Clofibrate	DTXSID3020336											
C6381777	6381-77-7	Sodium erythorbate (1:1)	DTXSID5020570											
C64108	64-10-8	1-Phenylurea	DTXSID8042507											
C64197	64-19-7	Acetic acid	DTXSID5024394											
C6422862	6422-86-2	Bis(2-ethylhexyl) terephthalate	DTXSID7027625											
C64359815	64359-81-5	"4,5-Dichloro-2-octyl-3(2H)-isothiazolone"	DTXSID5032315				-3.948977262	-3.63343481			-5.390941708		-5.12759842	-3.155866792
C643798	643-79-8	"1,2-Benzenedicarboxaldehyde"	DTXSID6032514		-0.128803114		-0.470536645	-0.902849675			3.382499975		0.057738398	-1.059862118
C644973	644-97-3	Phenyl phosphorus dichloride	DTXSID4027282											
C645567	645-56-7	4-Propylphenol	DTXSID9022100											
C645625	645-62-5	2-Ethyl-2-hexenal	DTXSID4025296						6.685785542					
C6459945	6459-94-5	C.I. Acid Red 114	DTXSID8021224		-2.371905422	1.328783484								-5.279866588
C64675	64-67-5	Diethyl sulfate	DTXSID1024045											
C64700567	64700-56-7	Triclopyr-butotyl	DTXSID5032579											
C647427	647-42-7	"3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctan-1-ol"	DTXSID5044572											
C6485401	6485-40-1	R-(-)-Carvone	DTXSID7041413											
C64868	64-86-8	Colchicine	DTXSID5024845				-0.340906412	-4.416108917						
C648917139	648917-13-9	AVE2865	DTXSID5047376											
C650511	650-51-1	Sodium trichloroacetate	DTXSID6034924											
C65236	65-23-6	Pyridoxine	DTXSID4023541											
C65277421	65277-42-1	Ketoconazole	DTXSID7029879				-0.154668116	0.492308189			0.851512073		1.434452614	0.633829929
C654055013	654055-01-3	Morin hydrate	DTXSID3040776		6.818225336									
C65452	65-45-2	Salicylamide	DTXSID3021726											
C657841	657-84-1	Sodium 4-methylbenzenesulfonate	DTXSID9042415											
C65850	65-85-0	Benzoic acid	DTXSID6020143											
C6610293	6610-29-3	N-Methylhydrazinecarbothioamide	DTXSID7044390										-2.701662417	-5.741288262
C66215278	66215-27-8	Cyromazine	DTXSID6023999											
C66230044	66230-04-4	Esfenvalerate	DTXSID4032667											
C6624733	6624-73-3	"Pentane-1,5-diyl dibenzoate"	DTXSID5047538											
C6625463	6625-46-3	"C.I. Acid Violet 12, disodium salt"	DTXSID6041715											
C66273	66-27-3	Methyl methanesulfonate	DTXSID7020845											
C66332965	66332-96-5	Flutolanil	DTXSID8024109											
C66357355	66357-35-5	Ranitidine	DTXSID8045191						10.58735799					
C66441234	66441-23-4	Fenoxaprop-ethyl	DTXSID2032392											
C66456539	66456-53-9	"Adipic acid, polypropyleneglycol, laurate"	DTXSID6047527							20.19018467				
C66575299	66575-29-9	Forskolin	DTXSID8040484											-3.932493224
C66717	66-71-7	"1,10-Phenanthroline"	DTXSID1025857										0.626035142	-4.092537743
C66819	66-81-9	Cycloheximide	DTXSID6024882				2.788633205	2.322806893					4.114653872	3.713825129
C6683198	6683-19-8	Irganox 1010	DTXSID1027633											
C668981020	668981-02-0	CP-863187	DTXSID0047294										-1.863538721	
C6706598	6706-59-8	L-Glucitol	DTXSID4042096											
C67209	67-20-9	Nitrofurantoin	DTXSID7020972										0.808989081	1.381692941
C6728263	6728-26-3	(2E)-2-Hexenal	DTXSID1041425											
C67301	67-30-1	Tetrac	DTXSID5048186											
C6734801	6734-80-1	Metam-sodium hydrate	DTXSID2040361											
C67485294	67485-29-4	Hydramethylnon	DTXSID6023868		-2.06897684		-3.100107081	-1.367719363			-2.336040423		0.781519311	-1.443167984
C67564914	67564-91-4	"(2R,6S)-Fenpropimorph"	DTXSID4034601				4.497144366	4.529219064	11.19704169					
C676116044	676116-04-4	PD 0343701	DTXSID7047271				0.268196523	1.967997324					1.008668822	1.144951727
C67685	67-68-5	Dimethyl sulfoxide	DTXSID2021735											
C67747095	67747-09-5	Prochloraz	DTXSID4024270	1.919316217	-0.118869717		-1.418596188	-1.185621479					-0.223578088	-0.383035929
C67786145	67786-14-5	Acid Red 337	DTXSID2044713			-1.855957284								
C678397	678-39-7	"1,1,2,2-Tetrahydroperfluoro-1-decanol"	DTXSID7029904						-0.51154689					
C6789884	6789-88-4	Hexyl benzoate	DTXSID9025403						11.63155105					
C68111	68-11-1	Thioglycolic acid	DTXSID8026141											
C68122	68-12-2	"N,N-Dimethylformamide"	DTXSID6020515											
C68157608	68157-60-8	Forchlorfenuron	DTXSID1034634	2.844710664									0.986797854	0.552514788
C68169039	68169-03-9	(Dicyclopentadienyloxy)ethyl methacrylate	DTXSID5041302											
C682019	682-01-9	Tetrapropyl orthosilicate	DTXSID9042382											
C68224	68-22-4	Norethindrone	DTXSID9023380	13.87321539	10.8864117	6.138743832	10.43942067	10.84036594	18.49394021	6.450312483	11.97466734	6.240390132		
C68268	68-26-8	Retinol	DTXSID3023556				-1.49944262	-1.056651576					-0.800513713	
C683181	683-18-1	Dibutyltin dichloride	DTXSID8027292		-4.465693829		-3.106840043	-2.338626336			-5.130355625		5.399934898	3.508817478
C68359375	68359-37-5	Cyfluthrin	DTXSID5035957											
C68392358	68392-35-8	4-Hydroxytamoxifen	DTXSID3037094	5.699939888	2.090988322	3.470121707	0.043175626	0.414396744					0.442468806	-0.661013827
C6846500	6846-50-0	"2,2,4-Trimethyl-1,3-pentanediol diisobutyrate"	DTXSID1027635											
C684935	684-93-5	N-Nitroso-N-methylurea	DTXSID4021006				5.385233766							
C68515480	68515-48-0	DINP branched	DTXSID5028665											
C68515491	68515-49-1	"1,2-Benzenedicarboxylic acid, di-C9-11-branched alkyl esters, C10-rich"	DTXSID0028666										8.309402671	
C68515753	68515-75-3	"Hexanedioic acid, di-C7-9-branched and linear alkyl esters"	DTXSID2047517											
C68555862	68555-86-2	Acid Orange 156	DTXSID7044718		-5.101067838	-0.952162919								
C68609972	68609-97-2	C12-14-Alkyl glycidyl ether	DTXSID7028774											
C686756876	686756-87-6	PharmaGSID_48519	DTXSID4048519				0.845122385	1.13725156					-0.764148033	-0.199976891
C68694111	68694-11-1	Triflumizole	DTXSID2032500	5.606565236	2.270563675		-0.486932822	0.072255803						-0.42454184
C68917180	68917-18-0	Cornmint oil	DTXSID3047712											
C6893023	6893-02-3	"3,5,3'-Triiodothyronine"	DTXSID8023216			11.30398408								
C68959206	68959-20-6	Disiquonium chloride	DTXSID5035589				-5.035103547	-4.347704729						-5.758752113
C68962	68-96-2	17alpha-Hydroxyprogesterone	DTXSID6040747	16.8614511	11.43601937		8.638983343	7.452937037	10.41930203		18.96960629	7.385085895		
C69090	69-09-0	Chlorpromazine hydrochloride	DTXSID7024827				1.318964579	1.734360986					-1.18222271	-0.227222665
C6915157	6915-15-7	Malic acid	DTXSID0027640											
C6923224	6923-22-4	Monocrotophos	DTXSID9034816											
C692864	692-86-4	Ethyl undec-10-enoate	DTXSID4044828											
C69327760	69327-76-0	Buprofezin	DTXSID8034401					-1.183584619					-0.20822164	-0.939264406
C69377817	69377-81-7	Fluroxypyr	DTXSID2034627											
C695067	695-06-7	gamma-Caprolactone	DTXSID8041298						11.57582178					
C69655056	69655-05-6	"2',3'-Dideoxyinosine"	DTXSID6022927											
C69658	69-65-8	D-Mannitol	DTXSID1023235											
C69727	69-72-7	Salicylic acid	DTXSID7026368							10.33846652				
C69749	69-74-9	Cytarabine hydrochloride	DTXSID5024891											
C69806402	69806-40-2	Haloxyfop-methyl	DTXSID6024123										5.180880455	
C69806504	69806-50-4	Fluazifop-butyl	DTXSID3034612											
C7011838	7011-83-8	Dihydrojasmone lactone	DTXSID3041299											
C70553	70-55-3	4-Toluenesulfonamide	DTXSID8029105											
C705602	705-60-2	(2-Nitro-1-propenyl)benzene	DTXSID1041188				-4.325879371	-4.153573489					-5.583871231	-3.676300743
C70568604	70568-60-4	4-Butylcyclohexanol	DTXSID6048204											
C706149	706-14-9	gamma-Decanolactone	DTXSID4022109											
C7080504	7080-50-4	Chloramine-T trihydrate	DTXSID6040795											
C709988	709-98-8	Propanil	DTXSID8022111	0.364208106	0.336931219		-1.913324778						-1.078710945	-0.278317017
C71238	71-23-8	1-Propanol	DTXSID2021739											
C712505	712-50-5	Cyclohexylphenylketone	DTXSID5048182											
C71283802	71283-80-2	Fenoxaprop-P-ethyl	DTXSID2034598										3.818421275	
C71526073	71526-07-3	MON-4660	DTXSID0044575											
C7173515	7173-51-5	Didecyldimethylammonium chloride	DTXSID9032537		0.123343474	1.680286429	0.826948974	1.660324151		1.702943677	-1.189023404		0.235367664	-0.182143416
C71751412	71751-41-2	Abamectin	DTXSID8023892		0.655878003		-0.990437858	-0.384189994					0.952596676	-0.779500888
C717748	717-74-8	"1,3,5-Triisopropylbenzene"	DTXSID4041232											
C7212444	7212-44-4	Nerolidol	DTXSID3022247											
C72178020	72178-02-0	Fomesafen	DTXSID7024112											
C72208	72-20-8	Endrin	DTXSID6020561											
C72333	72-33-3	Mestranol	DTXSID0020814	14.74493076	2.015429735	1.543877066							1.593468893	2.15177389
C72435	72-43-5	Methoxychlor	DTXSID9020827					-1.525274584					-1.29505675	-1.791239891
C72490018	72490-01-8	Fenoxycarb	DTXSID7032393				-1.777824881	-1.54253669					-1.015185926	0.067226743
C725228455	725228-45-5	AVE5638	DTXSID0047371		-0.324350515	0.103841823	0.540841522	0.180901373			-0.735295002		-0.540040537	
C72548	72-54-8	"p,p'-DDD"	DTXSID4020373				-1.078909428	-0.7276018					-0.402562134	-0.018904228
C72559	72-55-9	"p,p'-DDE"	DTXSID9020374		0.441011476		-1.032926793	-0.355911866						2.141840918
C7287196	7287-19-6	Prometryn	DTXSID4024272											
C732116	732-11-6	Phosmet	DTXSID5024261		0.083618974									
C73223	73-22-3	l-Tryptophan	DTXSID5021419											
C732263	732-26-3	"2,4,6-Tris(tert-butyl)phenol"	DTXSID2021311				-1.189024551	-1.403835485						
C73314	73-31-4	Melatonin	DTXSID1022421											
C7378996	7378-99-6	"N,N-Dimethyloctylamine"	DTXSID2036299											
C7398698	7398-69-8	Dimethyldiallylammonium chloride	DTXSID4027650											
C74051802	74051-80-2	Sethoxydim	DTXSID9024304											
C74115245	74115-24-5	Clofentezine	DTXSID9023881											
C741582	741-58-2	Bensulide	DTXSID9032329	3.283383759			-2.553529465	-2.54519982					-0.794193496	-1.595097305
C742693385	742693-38-5	SSR504734	DTXSID3047348				-1.059191406	-0.802476651					-0.792777091	0.034513339
C744456	744-45-6	Diphenyl isophthalate	DTXSID8037752											
C7487947	7487-94-7	Mercuric chloride	DTXSID5020811		-0.823774348		-2.228196039	-2.274543056			4.016428367		3.791390945	1.625644074
C75127	75-12-7	Formamide	DTXSID8025337				4.487426076		6.184534957					
C75330755	75330-75-5	Lovastatin	DTXSID5020784		-0.529552125								2.084572679	
C753731	753-73-1	Dimethyltin dichloride	DTXSID5027304					-5.682883551					-5.461567974	-6.047036964
C7540514	7540-51-4	(S)-(-)-beta-Citronellol	DTXSID1041550						9.344802715					
C754916	754-91-6	PFOSA	DTXSID3038939					-1.974905286						15.93107669
C75503	75-50-3	Trimethylamine	DTXSID2026238						4.295292862					
C75605	75-60-5	Dimethylarsinic acid	DTXSID7020508											
C75649	75-64-9	tert-Butylamine	DTXSID5024681											
C756796	756-79-6	Dimethyl methylphosphonate	DTXSID0020494						7.224381637					
C75865	75-86-5	2-Hydroxy-2-methylpropanenitrile	DTXSID7025427											
C75990	75-99-0	Dalapon	DTXSID2021575											
C759944	759-94-4	EPTC	DTXSID1024091											
C760236	760-23-6	"3,4-Dichloro-1-butene"	DTXSID8022113											
C76039	76-03-9	Trichloroacetic acid	DTXSID1021378											
C762049	762-04-9	Diethyl phosphite	DTXSID9041861						5.603352214					
C7631869	7631-86-9	Silica	DTXSID1029677						12.80056844					
C7632000	7632-00-0	Sodium nitrite	DTXSID0020941											
C76448	76-44-8	Heptachlor	DTXSID3020679				-1.630167922	-0.67140008			-1.320545929			-1.160054164
C76493	76-49-3	Bornyl acetate	DTXSID7041675											
C76578148	76578-14-8	Quizalofop-ethyl	DTXSID9023889											
C7659861	7659-86-1	2-Ethylhexyl sulfanylacetate	DTXSID4027656											
C7664382	7664-38-2	Phosphoric acid	DTXSID5024263						3.609989227					
C76738620	76738-62-0	Paclobutrazol	DTXSID2024242	1.191809352										
C7681767	7681-76-7	Ronidazole	DTXSID6045400											
C7681825	7681-82-5	Sodium iodide	DTXSID2041125						7.917502272					
C76879	76-87-9	Triphenyltin hydroxide	DTXSID1021409				0.536559949	8.047282203			-5.351426305		3.255786558	0.913092687
C7696120	7696-12-0	Tetramethrin	DTXSID6032649				-2.012785675	-2.299631087					-1.098532776	
C769926	769-92-6	4-tert-Butylaniline	DTXSID0048181											
C770354	770-35-4	1-Phenoxy-2-propanol	DTXSID9027312											
C77065	77-06-5	Gibberellic acid	DTXSID0020656											
C77098	77-09-8	Phenolphthalein	DTXSID0021125			2.332318638	-0.502469181	-0.585966996					-0.429921043	
C77407	77-40-7	Bisphenol B	DTXSID4022442	14.70970982	0.0161562	0.894663624	-0.589988307	-0.665035439					-0.059990443	0.326025416
C7747355	7747-35-5	"5-Ethyl-1-aza-3,7-dioxabicyclo[3.3.0]octane"	DTXSID3029289											
C77474	77-47-4	Hexachlorocyclopentadiene	DTXSID2020688				-0.651277411	-0.973442932						-3.282479013
C77485	77-48-5	"1,3-Dibromo-5,5-dimethylhydantoin"	DTXSID3035341											
C77501634	77501-63-4	Lactofen	DTXSID7024160	-0.07733617									-1.382312255	-2.804503448
C7757791	7757-79-1	Potassium nitrate	DTXSID4029692						10.82690649					
C7758192	7758-19-2	Sodium chlorite	DTXSID8021272											
C77714	77-71-4	"5,5-Dimethylhydantoin"	DTXSID5021754											
C7773060	7773-06-0	Ammonium sulfamate	DTXSID5023875											
C77736	77-73-6	Dicyclopentadiene	DTXSID5025023											
C7775271	7775-27-1	Sodium persulfate	DTXSID4029698											
C77781	77-78-1	Dimethyl sulfate	DTXSID5024055						3.903629557					
C7779273	7779-27-3	"1,3,5-Triethylhexahydro-s-triazine"	DTXSID1032511											
C77838	77-83-8	Ethyl methylphenylglycidate	DTXSID8020591											
C7785264	7785-26-4	(-)-alpha-Pinene	DTXSID2029290						11.79007069					
C77861	77-86-1	Tromethamine	DTXSID2023723						3.924683238					
C7786347	7786-34-7	Mevinphos	DTXSID2032683											
C77894	77-89-4	Acetyltriethyl citrate	DTXSID5044576						8.305021439					
C77907	77-90-7	Acetyl tributyl citrate	DTXSID2026446											
C77929	77-92-9	Citric acid	DTXSID3020332											
C77930	77-93-0	Triethyl citrate	DTXSID0040701											
C78079	78-07-9	Ethyltriethoxysilane	DTXSID7041962											
C78115	78-11-5	Pentaerythritol tetranitrate	DTXSID2023430											
C78400	78-40-0	Triethyl phosphate	DTXSID8026228											
C78422	78-42-2	Tris(2-ethylhexyl) phosphate	DTXSID0021414		-0.823286511			-1.720794691			0.545105547	2.88483203		
C78473719	78473-71-9	Enterolactone	DTXSID0048183	10.25614475	7.750979655									
C78488	78-48-8	Tribufos	DTXSID1024174					-1.047077645						
C78491028	78491-02-8	Diazolidinyl urea	DTXSID0029559					16.34332352	10.82743186					
C78513	78-51-3	Tris(2-butoxyethyl) phosphate	DTXSID5021758											
C78587050	78587-05-0	Hexythiazox	DTXSID7024299					-1.772149471						-2.37577788
C78591	78-59-1	Isophorone	DTXSID8020759											
C78637	78-63-7	"2,5-Dimethyl-2,5-di-(tert-butylperoxy)hexane"	DTXSID9025110											
C78693	78-69-3	"3,7-Dimethyl-3-octanol"	DTXSID7029110											
C78706	78-70-6	Linalool	DTXSID7025502											
C78820	78-82-0	2-Methylpropanenitrile	DTXSID5026461											
C789026	789-02-6	"o,p'-DDT"	DTXSID6022345				-0.530689998	-0.921051306					-0.901235689	0.80557632
C78966	78-96-6	1-Amino-2-propanol	DTXSID9021764											
C79061	79-06-1	Acrylamide	DTXSID5020027								7.914228085			
C79098207	79098-20-7	4-Chloropentylbenzene	DTXSID6048206											
C79141	79-14-1	Glycolic acid	DTXSID0025363											
C79163	79-16-3	N-Methylacetamide	DTXSID0047167						6.60179927					
C79241466	79241-46-6	Fluazifop-P-butyl	DTXSID0034855						0.582230737					
C79243	79-24-3	Nitroethane	DTXSID8020969											
C79277273	79277-27-3	Thifensulfuron-methyl	DTXSID1024124											
C79390	79-39-0	Methacrylamide	DTXSID8029600											
C79436	79-43-6	Dichloroacetic acid	DTXSID2020428											
C79447	79-44-7	Dimethylcarbamoyl chloride	DTXSID1020512											
C79538322	79538-32-2	Tefluthrin	DTXSID5032577											
C79572	79-57-2	Oxytetracycline	DTXSID1034260			7.520718967								
C79622596	79622-59-6	Fluazinam	DTXSID7032551				-1.25057517	1.761683175			-4.397517149		2.545141958	-0.234861788
C797637	797-63-7	Norgestrel	DTXSID3036496	14.84815679	12.88416589	10.04874099	13.61404386	13.73745869	13.55534374	7.048136519		14.93118082		
C79902639	79902-63-9	Simvastatin	DTXSID0023581					-1.647333245				1.135826821	1.380398404	
C79925	79-92-5	Camphene	DTXSID8026488											
C79947	79-94-7	"3,3',5,5'-Tetrabromobisphenol A"	DTXSID1026081			1.947032269		-0.375317905					0.143851966	
C79958	79-95-8	"2,2',6,6'-Tetrachlorobisphenol A"	DTXSID3021770	-0.098122107		3.105449858		-1.650179208						
C79983714	79983-71-4	Hexaconazole	DTXSID4034653	1.275699176	0.726325506	3.494810696	-0.19564816	0.140112808					0.825565509	-0.103832636
C8000348	8000-34-8	Clove leaf oil	DTXSID8044175		-4.601451749									
C8000417	8000-41-7	Terpineol	DTXSID8040775											
C8001545	8001-54-5	Benzalkonium chloride	DTXSID9034317				0.562099674	1.237833707			-2.090976508		-0.205966993	0.739886851
C8004920	8004-92-0	C.I. Acid Yellow 3 disodium salt	DTXSID0041721											
C80057	80-05-7	Bisphenol A	DTXSID7020182	1.660726356	0.295297017	0.686501541		-1.28644188					-0.38391299	0.620486224
C8006904	8006-90-4	Peppermint oil	DTXSID6021113											
C8007703	8007-70-3	Anise oil	DTXSID3024528											
C80079	80-07-9	"4,4'-Dichlorodiphenyl sulfone"	DTXSID9024986						13.01279676				2.058032227	5.235207793
C80080	80-08-0	Dapsone	DTXSID4020371											
C80091	80-09-1	"4,4'-Sulfonyldiphenol"	DTXSID3022409										4.846047243	
C80159	80-15-9	Cumene hydroperoxide	DTXSID3024869				0.756809007	0.789302662						
C8018017	8018-01-7	Mancozeb	DTXSID0034695		-0.349696914	1.366345234	-2.40199255	-2.414556683						
C80262	80-26-2	alpha-Terpinyl acetate	DTXSID2026496				-1.539475134	-1.297267214						
C80273	80-27-3	Terpinyl propionate	DTXSID3044833											
C80433	80-43-3	Dicumyl peroxide	DTXSID1025017				-0.498640912	-0.960938335						
C80466	80-46-6	4-(2-Methylbutan-2-yl)phenol	DTXSID8021771	4.480799435	2.124719951		1.453400624	1.24757692						
C80546	80-54-6	3-(4-tert-Butylphenyl)-2-methylpropanal	DTXSID9026500											
C80568	80-56-8	alpha-Pinene	DTXSID4026501											
C80844071	80844-07-1	Etofenprox	DTXSID9032610											
C81072	81-07-2	Saccharin	DTXSID5021251											
C81131706	81131-70-6	Pravastatin sodium	DTXSID6047525											
C81334341	81334-34-1	Imazapyr	DTXSID8034665											
C81335377	81335-37-7	Imazaquin	DTXSID3024152											
C81335775	81335-77-5	Imazethapyr	DTXSID3024287											
C81405858	81405-85-8	Imazamethabenz	DTXSID3032412											
C81406373	81406-37-3	Fluroxypyr-meptyl	DTXSID5034303				-1.767579976	-1.770094127						
C81741288	81741-28-8	Tributyltetradecylphosphonium chloride	DTXSID9034997		-2.639292893	0.139290042	-2.356540016	0.321321814			-2.877267474		2.488638133	1.634938983
C81777891	81777-89-1	Clomazone	DTXSID1032355	7.206761411										5.589359077
C81812	81-81-2	Warfarin	DTXSID5023742											
C818611	818-61-1	2-Hydroxyethyl acrylate	DTXSID2022123											
C81889	81-88-9	Rhodamine B	DTXSID6042369				-6.181901549	-6.166451618					-5.117754921	-6.072439991
C81903	81-90-3	Phenolphthalin	DTXSID5022439											
C822060	822-06-0	"1,6-Diisocyanatohexane"	DTXSID4024143											
C82385420	82385-42-0	Sodium saccharin hydrate	DTXSID7021992						5.756202115					
C824395	824-39-5	Sodium 2-nitrophenolate	DTXSID5035616											
C82469792	82469-79-2	Butyryl trihexyl citrate	DTXSID0047535											
C824782	824-78-2	Sodium 4-nitrophenolate	DTXSID3027320											
C82558507	82558-50-7	Isoxaben	DTXSID8024159										-0.033715252	0.646306209
C825643570	825643-57-0	PharmaGSID_48513	DTXSID4048513			-0.034638237	-0.220376852	-0.171018395					0.278225427	-1.269273111
C82640048	82640-04-8	Raloxifene hydrochloride	DTXSID1034181		-0.256610567		-0.882374872	-0.622757589					0.120661327	-1.868672037
C82657043	82657-04-3	Bifenthrin	DTXSID9020160					-1.618786598						-2.825202041
C826620	826-62-0	"2-Norbornene-5,6-dicarboxylic anhydride"	DTXSID0047456											
C82688	82-68-8	Pentachloronitrobenzene	DTXSID2021105											-0.78684497
C827190	827-19-0	"Sodium 2,5-dimethylbenzenesulfonate"	DTXSID5044578											
C827214	827-21-4	Sodium m-xylene-4-sulfonate	DTXSID1041639											
C828002	828-00-2	Dimethoxane	DTXSID6020480											
C83329	83-32-9	Acenaphthene	DTXSID3021774											
C83410	83-41-0	"1,2-Dimethyl-3-nitrobenzene"	DTXSID7025132											
C834128	834-12-8	Ametryn	DTXSID1023869											
C83657243	83657-24-3	Diniconazole	DTXSID2040363	4.785745557	3.483348782		-0.551985344	-0.651463542					-0.128168882	-0.532702843
C83670	83-67-0	Theobromine	DTXSID9026132											
C83794	83-79-4	Rotenone	DTXSID6021248				2.121104442	7.132701551					4.586374985	8.390339789
C83834597	83834-59-7	2-Ethylhexyl trans-4-methoxycinnamate	DTXSID9047205					4.262383244						
C83885	83-88-5	Riboflavin	DTXSID8021777										5.241901291	
C838857	838-85-7	Diphenyl phosphate	DTXSID1048207											
C838880	838-88-0	"4,4'-Methylenebis(2-methylaniline)"	DTXSID5020867	-2.668153151	-3.50030987									-3.782048518
C84087014	84087-01-4	Quinclorac	DTXSID6032641											
C84162	84-16-2	meso-Hexestrol	DTXSID2022381	6.468918075		5.507689386							2.063115664	0.441691545
C842079	842-07-9	C.I. Solvent Yellow 14	DTXSID4021135					-1.580476323						
C84371653	84371-65-3	Mifepristone	DTXSID5023322	10.33870244	9.332720146	8.718213919	10.88802385	10.71018129				12.36064883	6.662451469	0.917031854
C84617	84-61-7	Dicyclohexyl phthalate	DTXSID5025021				-1.553576443	-1.602885046					-2.29725478	-2.631962789
C84662	84-66-2	Diethyl phthalate	DTXSID7021780											
C84695	84-69-5	Diisobutyl phthalate	DTXSID9022522					-0.095000122						
C84742	84-74-2	Dibutyl phthalate	DTXSID2021781											
C84753	84-75-3	Dihexyl phthalate	DTXSID6025068											
C84852153	84852-15-3	"4-Nonylphenol, branched"	DTXSID5029055	0.296006811			-0.316118558	0.082901162						-0.874868568
C85018	85-01-8	Phenanthrene	DTXSID6024254											
C851916422	851916-42-2	MK-812	DTXSID4047335											
C85264331	85264-33-1	"(3,5-Dimethyl-1H-pyrazol-1-yl)methanol"	DTXSID1032513											
C85405	85-40-5	"1,2,3,6-Tetrahydrophthalimide"	DTXSID8026513											
C85416	85-41-6	Phthalimide	DTXSID3026514											
C85507795	85507-79-5	"Phthalic acid, diundecyl ester, branched and linear"	DTXSID4029565											
C85509199	85509-19-9	Flusilazole	DTXSID3024235	3.178906771	1.640243854		-1.220234441	-0.320487444					-0.319857235	0.540670205
C85532758	85532-75-8	PK 11195	DTXSID7041097					0.313577977					-0.155556395	-0.089720928
C85687	85-68-7	Benzyl butyl phthalate	DTXSID3020205											
C860220	860-22-0	C.I. Acid Blue 74	DTXSID1020190		4.939944653									
C862243296	862243-29-6	AVE9423	DTXSID0047375			5.416754691								
C86306	86-30-6	N-Nitrosodiphenylamine	DTXSID6021030											
C86386734	86386-73-4	Fluconazole	DTXSID3020627											
C864283487	864283-48-7	GSK232420A	DTXSID1047312	11.45273919	16.60002942	10.08795244	17.50249551	18.74491976	13.03257021	5.011880873	7.00967028	16.88690128	10.82477926	
C86479063	86479-06-3	Hexaflumuron	DTXSID3032620								4.209065756			
C86500	86-50-0	Azinphos-methyl	DTXSID3020122	1.014055733	-0.5397405			-1.14702202					-1.855013543	-0.25907815
C86737	86-73-7	Fluorene	DTXSID8024105											
C86873	86-87-3	1-Naphthaleneacetic acid	DTXSID8020915											
C868859	868-85-9	Dimethyl hydrogen phosphite	DTXSID5020493											
C87014	87-01-4	7-(Dimethylamino)-4-methylcoumarin	DTXSID6041422		7.122446689						4.8484994			7.890651844
C87183	87-18-3	4-tert-Butylphenyl salicylate	DTXSID9037745				4.677802723	3.726830709						
C87241	87-24-1	Ethyl 2-methylbenzoate	DTXSID4040711											
C872504	872-50-4	N-Methyl-2-pyrrolidone	DTXSID6020856											
C87252	87-25-2	Ethyl anthranilate	DTXSID6025272											
C87392129	87392-12-9	S-Metolachlor	DTXSID6032431											5.061711269
C87546187	87546-18-7	Flumiclorac-pentyl	DTXSID2032554											
C87616	87-61-6	"1,2,3-Trichlorobenzene"	DTXSID8026193											
C87627	87-62-7	"2,6-Dimethylaniline"	DTXSID8026307						9.618219391					
C87674688	87674-68-8	Dimethenamid	DTXSID4032376										0.938066632	-0.463241189
C87683	87-68-3	"Hexachloro-1,3-butadiene"	DTXSID7020683											
C87694	87-69-4	L-Tartaric acid	DTXSID8023632											
C877247	877-24-7	Monopotassium phthalate	DTXSID0042167											
C87818313	87818-31-3	Cinmethylin	DTXSID3034456					-4.150678755						
C87820880	87820-88-0	Tralkoxydim	DTXSID1034973											
C87865	87-86-5	Pentachlorophenol	DTXSID7021106										-1.509076988	-2.282445429
C87901	87-90-1	Symclosene	DTXSID2026523											
C88040	88-04-0	"4-Chloro-3,5-dimethylphenol"	DTXSID0032316											
C88062	88-06-2	"2,4,6-Trichlorophenol"	DTXSID5021386											
C88120	88-12-0	N-Vinyl-2-pyrrolidone	DTXSID2021440											
C88186	88-18-6	2-tert-Butylphenol	DTXSID2026525											
C88244	88-24-4	"2,2'-Methylenebis(ethyl-6-tert-butylphenol)"	DTXSID7038864				-1.6926182	-0.954820808					-1.981823867	-2.536183397
C88302	88-30-2	3-Trifluoromethyl-4-nitrophenol	DTXSID7021788										-4.719615626	-5.21137376
C88415	88-41-5	2-tert-Butylcyclohexyl acetate	DTXSID3036105											
C88584	88-58-4	"2,5-Di-tert-butylbenzene-1,4-diol"	DTXSID8041248					-0.718633366					-0.686487592	0.416149396
C88608	88-60-8	2-tert-Butyl-5-methylphenol	DTXSID2026529											
C88671890	88671-89-0	Myclobutanil	DTXSID8024315											
C88697	88-69-7	2-Isopropylphenol	DTXSID2044391											
C88722	88-72-2	2-Nitrotoluene	DTXSID4025791						10.98354234					
C88744	88-74-4	2-Nitroaniline	DTXSID1025726											
C88755	88-75-5	2-Nitrophenol	DTXSID1021790											
C88857	88-85-7	Dinoseb	DTXSID3020207					-1.764379862					-0.092375586	0.526291764
C89043	89-04-3	Trioctyl trimellitate	DTXSID0047533											
C89714	89-71-4	Methyl 2-methylbenzoate	DTXSID6048208						4.099744917					
C89725	89-72-5	2-(Butan-2-yl)phenol	DTXSID2022331						3.93990521					
C89781	89-78-1	dl-Menthol	DTXSID1020805											
C89838	89-83-8	Thymol	DTXSID6034972											
C89872	89-87-2	"1,3-Dimethyl-4-nitrobenzene"	DTXSID2025135											
C90006	90-00-6	2-Ethylphenol	DTXSID1022479											
C90028	90-02-8	Salicylaldehyde	DTXSID1021792											
C9003116	9003-11-6	Pluronic F-127	DTXSID4047597											
C90040	90-04-0	2-Anisidine	DTXSID5023877											
C9004824	9004-82-4	Sodium lauryl polyoxyethylene ether sulfate	DTXSID2029298			-2.855859951								
C9004960	9004-96-0	Polyoxyethylene monoleate	DTXSID6027713			7.117683715			13.02065249					
C90051	90-05-1	2-Methoxyphenol	DTXSID0023113											
C9005656	9005-65-6	Polysorbate 80	DTXSID0021175							6.468678136				
C90120	90-12-0	1-Methylnaphthalene	DTXSID9020877											
C90153	90-15-3	1-Naphthol	DTXSID6021793										-3.730091774	
C9016006	9016-00-6	Polydimethylsiloxane	DTXSID9023833											
C9016879	9016-87-9	Polymethylene polyphenyl isocynate	DTXSID3047473											
C90302	90-30-2	N-Phenyl-1-naphthylamine	DTXSID2025892					-6.367873261		-6.06052325			-5.08109994	-5.224791041
C90357065	90357-06-5	Bicalutamide	DTXSID2022678		11.40562718	9.924651907	7.215686101	5.775906867					6.101471541	9.939063368
C90437	90-43-7	2-Phenylphenol	DTXSID2021151		6.083262252									
C90722	90-72-2	"2,4,6-Tris(dimethylaminomethyl)phenol"	DTXSID5026548											
C90823384	90823-38-4	Denatonium saccharide	DTXSID9034361											
C90948	90-94-8	Michler's ketone	DTXSID2020894					2.184632668					-0.246564068	
C91082176	91082-17-6	C10-21 sulfonic acids phenyl esters	DTXSID1047526											
C91203	91-20-3	Naphthalene	DTXSID8020913											
C91225	91-22-5	Quinoline	DTXSID1021798											
C91465086	91465-08-6	lambda-Cyhalothrin	DTXSID7032559											
C91532	91-53-2	Ethoxyquin	DTXSID9020582											
C91598	91-59-8	2-Naphthylamine	DTXSID2020921											
C91623	91-62-3	6-Methylquinoline	DTXSID3020887											
C91645	91-64-5	Coumarin	DTXSID7020348											
C91667	91-66-7	"N,N-Diethylaniline"	DTXSID8021800											
C919302	919-30-2	3-Aminopropyltriethoxysilane	DTXSID2027333											
C92046	92-04-6	2-Chloro-4-phenylphenol	DTXSID0022353		5.703517265	5.907354658	4.325712126	4.178541812				4.080398966	4.913894108	8.332616818
C924163	924-16-3	N-Nitrosodibutylamine	DTXSID2021026											
C92524	92-52-4	Biphenyl	DTXSID4020161											
C92682	92-68-2	4-Cyclohexylcyclohexanone	DTXSID8040721		-0.301747876									
C92693	92-69-3	4-Phenylphenol	DTXSID7021152	2.142679629	3.045754987		-0.792954402	-0.951560365	4.09378848			-1.948022641	-0.825602506	2.96978796
C92842	92-84-2	Phenothiazine	DTXSID5021126											0.718021387
C92875	92-87-5	Benzidine	DTXSID2020137		5.585157986									
C928961	928-96-1	(Z)-3-Hexen-1-ol	DTXSID6022137											
C929599	929-59-9	"2,2'-[Ethane-1,2-diylbis(oxy)]diethanamine"	DTXSID9044742											
C929601092	929601-09-2	SR58611	DTXSID1047360				-1.657518858	-0.647658853						
C930552	930-55-2	N-Nitrosopyrrolidine	DTXSID8021062						3.774523376					
C93083	93-08-3	2'-Acetonaphthone	DTXSID2041389											
C93152	93-15-2	Methyleugenol	DTXSID5025607											
C93561	93-56-1	Styrene glycol	DTXSID8042422											
C93652	93-65-2	Mecoprop	DTXSID9024194											
C93765	93-76-5	"2,4,5-Trichlorophenoxyacetic acid"	DTXSID5021388											
C938169	938-16-9	tert-Butyl phenyl ketone	DTXSID1048209											
C93890	93-89-0	Ethyl benzoate	DTXSID3038696											
C93925	93-92-5	(+/-)-alpha-Methylbenzyl acetate	DTXSID6041636	6.36979736										
C93992	93-99-2	Phenyl benzoate	DTXSID0048210											
C94086	94-08-6	Ethyl 4-methylbenzoate	DTXSID5048211											
C94097	94-09-7	Benzocaine	DTXSID8021804						7.644080597					
C94133	94-13-3	Propylparaben	DTXSID4022527		5.576912364									
C941695	941-69-5	"1-Phenyl-1H-pyrrole-2,5-dione"	DTXSID0041274				-1.24734757	-1.23227143			-2.761867734		0.375883543	-1.868973637
C94188	94-18-8	Benzylparaben	DTXSID9022526		5.416927472								3.737656693	
C94268	94-26-8	Butylparaben	DTXSID3020209											
C94280	94-28-0	Triethylene glycol bis(2-ethylhexanoate)	DTXSID3026564					-1.374985048						
C94361065	94361-06-5	Cyproconazole	DTXSID0032601	5.403516751	5.372309447									
C94462	94-46-2	Isopentyl benzoate	DTXSID8047185											
C94473	94-47-3	2-Phenylethyl benzoate	DTXSID9047590											
C94597	94-59-7	Safrole	DTXSID0021254						11.27759812					
C94600	94-60-0	Dimethyl hexahydroterephthalate	DTXSID3026566											
C94713	94-71-3	2-Ethoxyphenol	DTXSID2042276											
C94746	94-74-6	MCPA	DTXSID4024195						5.536355973					
C94757	94-75-7	"2,4-Dichlorophenoxyacetic acid"	DTXSID0020442											
C94804	94-80-4	"2,4-D 1-butyl ester"	DTXSID5020443											
C94815	94-81-5	MCPB	DTXSID4024193											
C94826	94-82-6	"2,4-DB"	DTXSID7024035											
C94917	94-91-7	"N,N'-Disalicylidene-1,2-diaminopropane"	DTXSID2041200											
C94962	94-96-2	"2-Ethyl-1,3-hexanediol"	DTXSID4025292											
C950378	950-37-8	Methidathion	DTXSID5020819	5.722769183			4.088776413							
C95136	95-13-6	Indene	DTXSID8042052											
C95147	95-14-7	"1,2,3-Benzotriazole"	DTXSID6020147											
C95169	95-16-9	Benzothiazole	DTXSID7024586						5.69431247					
C95266403	95266-40-3	Trinexapac-ethyl	DTXSID9032535											
C95385	95-38-5	2-(8-Heptadecenyl)-2-imidazoline-1-ethanol	DTXSID2036112		-2.90456552	-0.813837781	-2.067340047	-1.747389534			-3.91042594		-2.831169109	-4.04768052
C95487	95-48-7	o-Cresol	DTXSID8021808											
C95498	95-49-8	2-Chlorotoluene	DTXSID8023977											
C95501	95-50-1	"1,2-Dichlorobenzene"	DTXSID6020430											
C95534	95-53-4	2-Methylaniline	DTXSID1026164											
C95545	95-54-5	"1,2-Phenylenediamine"	DTXSID3025881	0.599092089										
C95578	95-57-8	2-Chlorophenol	DTXSID5021544											
C95636	95-63-6	"1,2,4-Trimethylbenzene"	DTXSID6021402											
C95658	95-65-8	"3,4-Dimethylphenol"	DTXSID4024062											
C95737681	95737-68-1	Pyriproxyfen	DTXSID1032640											
C95749	95-74-9	3-Chloro-4-methylaniline	DTXSID0020286											
C957517	957-51-7	Diphenamid	DTXSID8024072											
C95761	95-76-1	"3,4-Dichloroaniline"	DTXSID7021815		5.312762506									
C95807	95-80-7	"2,4-Diaminotoluene"	DTXSID4020402											
C95830	95-83-0	"4-Chloro-1,2-diaminobenzene"	DTXSID5020283		-2.440170004							-1.262939087	-2.931003265	
C95874	95-87-4	"2,5-Dimethylphenol"	DTXSID6025145											
C95932	95-93-2	"1,2,4,5-Tetramethylbenzene"	DTXSID1029124						5.545315205					
C95943	95-94-3	"1,2,4,5-Tetrachlorobenzene"	DTXSID7024320											
C95954	95-95-4	"2,4,5-Trichlorophenol"	DTXSID4024359					-0.875404386						-1.250297067
C959988	959-98-8	Endosulfan I	DTXSID9037539					-5.911209157					-5.871523239	-5.76846487
C960714	960-71-4	Triphenylborane	DTXSID6027345		5.764295207									
C96093	96-09-3	Styrene oxide	DTXSID2021286	7.164378453										
C96182535	96182-53-5	Tebupirimfos	DTXSID1032482				-0.059069678	-1.42013233						
C96184	96-18-4	"1,2,3-Trichloropropane"	DTXSID9021390											
C96231	96-23-1	"1,3-Dichloro-2-propanol"	DTXSID6025010											
C96242	96-24-2	"3-Chloro-1,2-propanediol"	DTXSID4020664						10.65450198					
C962583	962-58-3	Diazoxon	DTXSID5037523											
C96297	96-29-7	2-Butanone oxime	DTXSID1021821											
C96413	96-41-3	Cyclopentanol	DTXSID1033371											
C96457	96-45-7	Ethylene thiourea	DTXSID5020601											
C96480	96-48-0	4-Butyrolactone	DTXSID6020224											
C96489713	96489-71-3	Pyridaben	DTXSID5032573					-2.647909104					7.665570072	9.234667784
C96708	96-70-8	2-tert-Butyl-4-ethylphenol	DTXSID4044581				-1.210566623	-1.19068193						
C96764	96-76-4	"2,4-Di-tert-butylphenol"	DTXSID2026602	1.311587941			0.156444434	0.337261678						-1.032329867
C96833	96-83-3	Iopanoic acid	DTXSID6023159						6.516991949					
C97007	97-00-7	"1-Chloro-2,4-dinitrobenzene"	DTXSID6020278		0.088772941	2.066228873	-0.214811679	0.427818252			-0.785903626		0.585083583	0.356427524
C97234	97-23-4	Dichlorophen	DTXSID6021824		-4.102298914	-1.216937976	-6.065184469	-5.07271157					-4.277994138	-4.100892952
C97322877	97322-87-7	Troglitazone	DTXSID8023719					-0.079190298					-0.37651976	-1.047777851
C97529	97-52-9	2-Methoxy-4-nitroaniline	DTXSID0038700											
C97530	97-53-0	Eugenol	DTXSID9020617		5.928147058									
C97541	97-54-1	Isoeugenol	DTXSID7022413											
C97563	97-56-3	2-Amino-5-azotoluene	DTXSID1020069			2.735220244	-0.351098451	-0.322511878					0.103990798	-0.617062211
C97596	97-59-6	Allantoin	DTXSID3020043											
C97778	97-77-8	Disulfiram	DTXSID1021322				-1.986603457	-2.480074113					6.78874027	6.835682618
C97789	97-78-9	N-Dodecanoyl-N-methylglycine	DTXSID7042011						9.997990842					
C97886458	97886-45-8	Dithiopyr	DTXSID9032379				-1.553554604	-1.660778944						
C97994	97-99-4	Tetrahydrofurfuryl alcohol	DTXSID1029128											
C98000	98-00-0	Furfuryl alcohol	DTXSID2025347											
C98011	98-01-1	Furfural	DTXSID1020647											
C98066	98-06-6	tert-Butylbenzene	DTXSID3047138											
C98077	98-07-7	Benzotrichloride	DTXSID1020148											
C98319267	98319-26-7	Finasteride	DTXSID3020625										5.328989889	8.328325411
C98511	98-51-1	4-tert-Butyltoluene	DTXSID1024704						11.72956422					
C98522	98-52-2	4-tert-Butylcyclohexanol	DTXSID5026623											
C98533	98-53-3	4-tert-Butylcyclohexanone	DTXSID7044394											
C98544	98-54-4	4-tert-Butylphenol	DTXSID1020221											
C98566	98-56-6	1-Chloro-4-(trifluoromethyl)benzene	DTXSID7024821											25.27943814
C98730042	98730-04-2	Benoxacor	DTXSID3029572										-2.061696145	-3.091308617
C98862	98-86-2	Acetophenone	DTXSID6021828											
C98873	98-87-3	Benzal chloride	DTXSID6025014											
C98886443	98886-44-3	Fosthiazate	DTXSID0034930											
C98920	98-92-0	Niacinamide	DTXSID2020929											
C989388	989-38-8	Rhodamine 6G	DTXSID1021243			-3.935244694	-6.187082313	-3.717919317					3.567711034	3.571686184
C98953	98-95-3	Nitrobenzene	DTXSID3020964											
C98967409	98967-40-9	Flumetsulam	DTXSID4032615											
C99070	99-07-0	3-Dimethylaminophenol	DTXSID0025101					4.801749676						
C99081	99-08-1	3-Nitrotoluene	DTXSID5021831											
C99309	99-30-9	Dicloran	DTXSID2020426		0.632922351			-0.331153655					0.038345712	1.091092615
C99514	99-51-4	"1,2-Dimethyl-4-nitrobenzene"	DTXSID2025133											
C99547	99-54-7	"3,4-Dichloronitrobenzene"	DTXSID8024999											
C99558	99-55-8	2-Methyl-5-nitroaniline	DTXSID4020959		5.721668399									
C99592	99-59-2	2-Methoxy-5-nitroaniline	DTXSID0020943											
C99607702	99607-70-2	Cloquintocet-mexyl	DTXSID3041794										-5.957577617	
C99627	99-62-7	"1,3-Diisopropylbenzene"	DTXSID8026640											
C99638	99-63-8	"1,3-Benzenedicarbonyl dichloride"	DTXSID3026641											
C99650	99-65-0	"1,3-Dinitrobenzene"	DTXSID9024065											
C99661	99-66-1	Valproic acid	DTXSID6023733				4.839639531	5.131430549						
C99718	99-71-8	4-(Butan-2-yl)phenol	DTXSID7022332		5.446783253									
C99763	99-76-3	Methylparaben	DTXSID4022529											
C99854	99-85-4	gamma-Terpinene	DTXSID6041210											
C99865	99-86-5	alpha-Terpinene	DTXSID9041237											
C99876	99-87-6	p-Cymene	DTXSID3026645											
C99898	99-89-8	4-Isopropylphenol	DTXSID5042299											
C99934	99-93-4	4-Hydroxyacetophenone	DTXSID0029133											
C99967	99-96-7	4-Hydroxybenzoic acid	DTXSID3026647											
C99978	99-97-8	"N,N,4-Trimethylaniline"	DTXSID0021832											
C99990	99-99-0	4-Nitrotoluene	DTXSID5023792											
C999973	999-97-3	Hexamethyldisilazane	DTXSID2025395											
CNOCAS34742	NOCAS_34742	"Milbemectin (mixture of 70% Milbemcin A4, 30% Milbemycin A3)"	DTXSID8034742		-0.325866488		-0.661292752	-0.521239626			-3.181336256		-1.224536434	-2.688420888
CNOCAS47248	NOCAS_47248	CI-1018	DTXSID0047248											
CNOCAS47255	NOCAS_47255	CP-465394	DTXSID9047255											25.79388397
CNOCAS47265	NOCAS_47265	CP-471358	DTXSID3047265											
CNOCAS47267	NOCAS_47267	CP-642931	DTXSID3047267											
CNOCAS47291	NOCAS_47291	CI-1044	DTXSID5047291											
CNOCAS47292	NOCAS_47292	PD 0200347	DTXSID0047292											
CNOCAS47299	NOCAS_47299	CP-422935	DTXSID5047299											
CNOCAS47305	NOCAS_47305	CP-608039	DTXSID2047305											
CNOCAS47311	NOCAS_47311	GSK163929B	DTXSID6047311		-0.189521346		-1.26546437	-1.261737211					1.000548225	-0.842267503
CNOCAS47325	NOCAS_47325	SB413217A	DTXSID0047325								-2.41459731			
CNOCAS47328	NOCAS_47328	MK-274	DTXSID5047328				0.093270871	-0.284105156					1.161224402	-0.340445581
CNOCAS47330	NOCAS_47330	PharmaGSID_47330	DTXSID9047330					-0.603112657					-0.676119731	-1.397233076
CNOCAS47333	NOCAS_47333	PharmaGSID_47333	DTXSID4047333				7.68833258	10.01001364						
CNOCAS47334	NOCAS_47334	MK-968	DTXSID9047334				-1.888406831	-0.839168067					0.179936079	0.288850675
CNOCAS47342	NOCAS_47342	SR125047	DTXSID3047342				-1.537928081	-1.053269016					-0.237644751	
CNOCAS47346	NOCAS_47346	SSR162369	DTXSID3047346											
CNOCAS47351	464930-42-5	SSR240612	DTXSID2047351	3.210309675	0.701356988	0.611765274	-0.339066928	1.554941131					1.104809994	-0.65298283
CNOCAS47353	NOCAS_47353	SSR241586	DTXSID2047353		0.356716607		0.668243425	1.083726823			-1.321667164		1.418885563	-0.401821838
CNOCAS47362	NOCAS_47362	SSR150106	DTXSID1047362					-0.486603599					-1.208152724	
CNOCAS47364	1075752-90-7	SSR103800	DTXSID1047364				-1.079708586	-0.432205179					-1.350781126	-1.288740383
CNOCAS47366	NOCAS_47366	SAR115740	DTXSID1047366					-1.131256184			-2.333443225		1.068060793	-1.750820662
CNOCAS47374	NOCAS_47374	SSR161421	DTXSID5047374				-3.671204277						-0.832377666	
CNOCAS47377	NOCAS_47377	AVE6324	DTXSID0047377		-1.455975672	1.941897958	0.375808286	0.288388936			-2.282511465		0.668034293	-2.264667369
CNOCAS47379	NOCAS_47379	SSR126768	DTXSID0047379		-1.661595454			1.389953513			-3.685336618		-0.213327949	-2.07052355
CNOCAS47383	NOCAS_47383	AVE3247	DTXSID4047383											
CNOCAS47385	NOCAS_47385	SAR377142	DTXSID4047385											
CNOCAS47387	NOCAS_47387	SAR102779	DTXSID4047387				-0.657043259	0.376918464					0.133217186	-1.496048639
CNOCAS47389	433212-21-6	SAR150640	DTXSID4047389				-0.266752548	0.03828522					-0.037201806	-1.407875711
CNOCAS47394	NOCAS_47394	Grinstad Soft-N-Safe	DTXSID3047394											
CNOCAS47708	NOCAS_47708	Igepal CO-890	DTXSID9047708						8.907844676					
CNOCAS47796	NOCAS_47796	Formalin	DTXSID5047796											
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					-2.442478102					1.327713201	1.035652818
CNOCAS48172	NOCAS_48172	PharmaGSID_48172	DTXSID1048172					4.719370153					4.838020407	4.852888849
CNOCAS48176	NOCAS_48176	YM218	DTXSID1048176					-1.002351092						
CNOCAS48505	NOCAS_48505	PharmaGSID_48505	DTXSID0048505				-2.34864996	0.134725567					-0.801847471	-3.009611168
CNOCAS48507	NOCAS_48507	PharmaGSID_48507	DTXSID0048507										4.19134404	
CNOCAS48509	NOCAS_48509	PharmaGSID_48509	DTXSID0048509											
CNOCAS48514	NOCAS_48514	PharmaGSID_48514	DTXSID9048514											
CNOCAS48516	NOCAS_48516	PharmaGSID_48516	DTXSID9048516						-1.99752326					
CNOCAS48518	NOCAS_48518	PharmaGSID_48518	DTXSID9048518			5.360227096								
