Gramatica, P.; Cassani, S.; Chirico, N. QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS. J. Comput. Chem. 2014, 35, 1036–1044.

632 compounds | Property M5.logHLn: Biotransformation half-lives in fish

ID	Name	M5.logHLn	Details
9	1-{[(2S,4S)-2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl}-1H-1,2,4-triazole i	0.700825461	View
10	1-[(2S)-2-(2,4-dichlorophenyl)pentyl]-1H-1,2,4-triazole i	1.190825461	View
20	(3R)-1-(4-chlorophenyl)-4,4-dimethyl-3-[(1H-1,2,4-triazol-1-yl)methyl]pentan-3-ol i	0.770825461	View
21	1-[(2S)-2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-1H-1,2,4-triazole i	1.230825461	View
26	(1S,5R)-5-[(4-chlorophenyl)methyl]-2,2-dimethyl-1-[(1H-1,2,4-triazol-1-yl)methyl]cyclopentan-1-ol i	0.230825461	View
66	(R)-(2-chlorophenyl)(4-chlorophenyl)(pyrimidin-5-yl)methanol i	0.570825461	View
154	(2S)-octan-2-yl 2-[(4-amino-3,5-dichloro-6-fluoropyridin-2-yl)oxy]acetate i	-0.609174539	View
185	2,4-dibromo-1-(4-bromophenoxy)benzene i	1.253016587	View
190	2,4-dibromo-1-(2,4-dibromophenoxy)benzene i	1.596921024	View
191	1,2-dibromo-4-(2,4-dibromophenoxy)benzene i	1.429107846	View
194	1,2-dibromo-4-(3,4-dibromophenoxy)benzene i	2.253016587	View
196	1,2,3-tribromo-4-(2,4-dibromophenoxy)benzene i	1.336921024	View
197	1,2,4-tribromo-5-(2,4-dibromophenoxy)benzene i	1.951986591	View
198	1,3,5-tribromo-2-(2,4-dibromophenoxy)benzene i	1.951986591	View
201	1,2,4-tribromo-5-(2,4,5-tribromophenoxy)benzene i	2.010996649	View
202	1,3,5-tribromo-2-(2,4,5-tribromophenoxy)benzene i	2.031167837	View
204	1,2,3,5-tetrabromo-4-(2,4,5-tribromophenoxy)benzene i	1.650956596	View
212	1,2,3,4,5-pentabromo-6-(3,4-dibromophenoxy)benzene i	1.575891028	View
279	4-[(2R,4R)-4,6-dimethylheptan-2-yl]phenol i	-0.454174539	View
286	4-(2,4,4-trimethylpentan-2-yl)phenol i	-0.039174539	View
290	4-[2-(4-hydroxyphenyl)propan-2-yl]phenol i	0.270825461	View
300	4-chloro-2-[(5-chloro-2-hydroxyphenyl)methyl]phenol i	-0.509174539	View
314	1-chloro-2-[(1R)-2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene i	1.710825461	View
319	[1,1'-biphenyl]-4-ol i	-0.814174539	View
332	4-[(2S)-butan-2-yl]phenol i	-0.844174539	View
333	4-chloro-3-methylphenol i	-1.284174539	View
339	4-tert-butylphenol i	-0.874174539	View
342	4-chloro-2-methylphenol i	-0.829174539	View
362	1,2-dibutyl benzene-1,2-dicarboxylate i	-0.404174539	View
386	1-chloro-4-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene i	1.927492161	View
387	pentacyclo[10.6.2.0²,⁷.0⁹,¹⁹.0¹⁶,²⁰]icosa-1(18),2,4,6,8,10,12,14,16,19-decaene i	0.047492161	View
388	pentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁵,²⁰]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene i	0.210825461	View
390	tetrachloromethane i	-1.194174539	View
391	O,O-diethyl O-4-nitrophenyl phosphorothioate i	-0.409174539	View
392	tetraphene i	0.020825461	View
393	(1S,2R,3R,4R,6R,7R)-1,3,4,7,8,9,10,10-octachlorotricyclo[5.2.1.0²,⁶]dec-8-ene i	2.365825461	View
394	1,2,3,4,5,6-Hexachlorocyclohexane i	1.596825461	View
395	ethoxyethane i	-0.699174539	View
397	(1R,2S,3S,6R,7R,8S,9R,11S)-3,4,5,6,13,13-hexachloro-10-oxapentacyclo[6.3.1.1³,⁶.0²,⁷.0⁹,¹¹]tridec-4-ene i	1.720825461	View
398	aniline i	-0.779174539	View
401	N-methyl-1-(naphthalen-1-yloxy)methanimidic acid i	-1.179174539	View
409	trichloromethane i	-0.759174539	View
410	hexachloroethane i	0.760825461	View
417	1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethenyl]benzene i	1.705825461	View
418	bromo(chloro)methane i	-0.744174539	View
422	dichloromethane i	-0.509174539	View
424	2-methylpropan-2-ol i	-1.129174539	View
428	(2S)-1,2-dichloropropane i	-1.064174539	View
430	1,1,2-trichloroethene i	-0.409174539	View
433	1,1,2,2-tetrachloroethane i	-0.669174539	View
435	phenanthrene i	0.695825461	View
436	1-benzyl 2-butyl benzene-1,2-dicarboxylate i	-1.029174539	View
437	N-nitroso-N-phenylaniline i	-0.914174539	View
438	9H-fluorene i	0.700825461	View
440	2,4,6-trichlorophenol i	-0.569174539	View
441	1-methyl-2-nitrobenzene i	-0.479174539	View
446	naphthalene i	0.410825461	View
447	quinoline i	-1.334174539	View
455	2-methylphenol i	-0.519174539	View
456	1,2-dichlorobenzene i	0.504158761	View
457	2-chloroaniline i	-0.609174539	View
459	1,2,4-trimethylbenzene i	-0.309174539	View
461	1,2,4,5-tetrachlorobenzene i	1.787492161	View
464	1,2,3-trichloropropane i	-0.529174539	View
468	nitrobenzene i	-0.934174539	View
469	1-methyl-4-nitrobenzene i	-1.009174539	View
475	phenoxybenzene i	-0.089174539	View
480	1,4-dichlorobenzene i	1.095825461	View
481	4-chloroaniline i	-0.614174539	View
495	(2S)-1-chloro-2-{[(2R)-1-chloropropan-2-yl]oxy}propane i	-1.074174539	View
496	1,3,5-trimethylbenzene i	0.395825461	View
497	1,3,5-trichlorobenzene i	1.186825461	View
498	bromobenzene i	-1.189174539	View
499	methylcyclohexane i	0.570825461	View
502	chlorobenzene i	-1.019174539	View
513	furan i	-0.844174539	View
514	thiophene i	-0.819174539	View
518	cyclohexane i	-0.659174539	View
524	1-chloro-2-(2-chloroethoxy)ethane i	-0.814174539	View
529	dodecane i	0.260825461	View
533	hexachlorobenzene i	2.435562261	View
536	diphenylmethanone i	-1.174174539	View
537	anthracene i	0.649575461	View
539	1,2,4-trichlorobenzene i	1.200825461	View
540	2,4-dichlorophenol i	-0.939174539	View
541	1-methyl-2,4-dinitrobenzene i	-0.224174539	View
542	N,N-dimethylaniline i	-0.964174539	View
543	1,4-diethyl (2R)-2-{[dimethoxy(sulfanylidene)-λ⁵-phosphanyl]sulfanyl}butanedioate i	0.290825461	View
544	N-[6-chloro-4-(ethylimino)-1,2,3,4-tetrahydro-1,3,5-triazin-2-ylidene]ethan-1-amine i	-0.939174539	View
545	N-phenylaniline i	0.350825461	View
552	pyrene i	0.318825461	View
553	8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5,10,12-hexaene i	1.345825461	View
554	naphthalen-1-amine i	-0.244174539	View
555	dimethylcarbamothioylsulfanyl dimethylaminomethanedithioate i	-1.184174539	View
559	perylene i	-0.059174539	View
560	fluoranthene i	-0.015841239	View
561	pentacyclo[10.7.1.0²,¹¹.0⁴,⁹.0¹⁶,²⁰]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene i	-0.064174539	View
562	chrysene i	0.590825461	View
565	O,O-dimethyl O-4-nitrophenyl phosphorothioate i	0.550825461	View
566	(1R,2R,3R,6S,7S,8S)-1,8,9,10,11,11-hexachlorotetracyclo[6.2.1.1³,⁶.0²,⁷]dodeca-4,9-diene i	1.365825461	View
567	1,2,3,4,5,6-Hexachlorocyclohexane i	1.700825461	View
568	N'-(3,4-dichlorophenyl)-N,N-dimethylcarbamimidic acid i	-1.449174539	View
569	N'-(3,4-dichlorophenyl)-N-methoxy-N-methylcarbamimidic acid i	-0.969174539	View
570	O,O-diethyl O-6-methyl-2-(propan-2-yl)pyrimidin-4-yl phosphorothioate i	0.065825461	View
573	1,2,3-trimethylbenzene i	-0.224174539	View
575	1,3-dichlorobenzene i	-0.214174539	View
577	2,3-dimethylnaphthalene i	0.030825461	View
583	1,2,3,4,5-pentachlorobenzene i	1.874158761	View
588	1,2,3,4-tetrachlorobenzene i	0.690825461	View
594	2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline i	0.617968361	View
595	2-methoxy-2-methylpropane i	-0.879174539	View
596	2,3,7,8-tetrachlorooxanthrene i	1.779396861	View
597	N-[6-chloro-4-(ethylimino)-1,2,3,4-tetrahydro-1,3,5-triazin-2-ylidene]propan-2-amine i	-1.049174539	View
599	decachloro-1,1'-biphenyl i	2.863682561	View
604	octachlorooxanthrene i	1.160825461	View
616	1,2,3,4-tetrachlorooxanthrene i	1.020825461	View
618	2,7-dichlorooxanthrene i	0.230825461	View
619	1,2,3,4,6,7,8-heptachlorooxanthrene i	1.210825461	View
621	octachloro-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5,10,12-hexaene i	1.220825461	View
623	1,2,4-trichlorooxanthrene i	0.430825461	View
625	4,5,11,12-tetrachloro-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5,10,12-hexaene i	0.560825461	View
631	O,O-dimethyl O-3-methyl-4-(methylsulfanyl)phenyl phosphorothioate i	-0.359174539	View
640	2-{[dimethoxy(sulfanylidene)-λ⁵-phosphanyl]sulfanyl}-N-methylethanimidic acid i	-1.009174539	View
646	1,1,1-trichloroethane i	-1.389174539	View
647	(1R,2S,3R,6S,7R,8S,9R,11S)-3,4,5,6,13,13-hexachloro-10-oxapentacyclo[6.3.1.1³,⁶.0²,⁷.0⁹,¹¹]tridec-4-ene i	1.570825461	View
648	1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene i	2.440825461	View
651	tribromomethane i	-0.704174539	View
653	1,1-dichloroethene i	-0.719174539	View
656	(1R,2R,5S,6R,7S)-1,5,7,8,9,10,10-heptachlorotricyclo[5.2.1.0²,⁶]deca-3,8-diene i	1.445825461	View
659	3,5,5-trimethylcyclohex-2-en-1-one i	-1.289174539	View
660	1,1,2-trichloroethane i	-1.014174539	View
663	1,2,3,4,5-pentachloro-6-nitrobenzene i	-0.166674539	View
669	1,2,3,4,5-pentabromo-6-ethylbenzene i	0.020825461	View
673	9H-carbazole i	0.060825461	View
676	1,2,3-trichlorobenzene i	0.920825461	View
677	pentachlorophenol i	-0.204174539	View
680	4-[4-(dimethylamino)benzoyl]-N,N-dimethylaniline i	-0.769174539	View
683	2-methylnaphthalene i	0.880825461	View
686	3,3'-dichloro-[1,1'-biphenyl]-4,4'-diamine i	-0.134174539	View
699	1-chloro-2-methylbenzene i	-0.719174539	View
700	2-chlorophenol i	-0.384174539	View
701	3,4-dichloroaniline i	-1.089174539	View
702	3,4-dichlorophenol i	-0.919174539	View
703	(2R)-1,2-dibromo-3-chloropropane i	-1.139174539	View
706	3-nitroaniline i	-0.769174539	View
710	1,2-dichloro-4-nitrobenzene i	-0.269174539	View
715	4-nitroaniline i	-0.509174539	View
717	N-methylaniline i	-0.879174539	View
721	4-{[4-(dimethylamino)phenyl]methyl}-N,N-dimethylaniline i	-0.039174539	View
736	4-chlorophenol i	-0.414174539	View
739	1,2-dibromoethane i	-0.829174539	View
741	3-chlorophenol i	-0.682507869	View
751	2,2,2-trichloro-1,1-bis(4-chlorophenyl)ethan-1-ol i	1.985825461	View
753	1,2,4,5-tetrachloro-3-nitrobenzene i	0.490825461	View
754	1,2-bis[(2R)-2-ethylhexyl] benzene-1,2-dicarboxylate i	0.440825461	View
761	O,O-dimethyl O-3-methyl-4-nitrophenyl phosphorothioate i	0.034158761	View
767	tetrachloroethene i	-0.879174539	View
769	8-thiatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5,10,12-hexaene i	0.830825461	View
792	acenaphthylene i	0.518325461	View
799	O,O-diethyl {[2-(ethylsulfanyl)ethyl]sulfanyl}phosphonothioate i	0.032254061	View
802	5-bromo-3-[(2S)-butan-2-yl]-2-hydroxy-6-methyl-3,4-dihydropyrimidin-4-one i	-1.329174539	View
804	1,2,3,4,5,6-hexachlorocyclohexane i	1.230825461	View
805	1,2,3,4,5,6-hexachlorocyclohexane i	1.440825461	View
814	ethyl 2,2-bis(4-chlorophenyl)-2-hydroxyacetate i	-0.084174539	View
821	2,4-dichloroaniline i	-0.654174539	View
822	3-nitrophenol i	-0.489174539	View
831	3,5-dichlorophenol i	-0.914174539	View
851	2,3,4-trichloroaniline i	-0.269174539	View
865	9-methylanthracene i	0.225825461	View
871	1,2,3,4-tetrachloro-5-nitrobenzene i	-0.689174539	View
878	O,O-dimethyl {[(5-methoxy-2-oxo-2,3-dihydro-1,3,4-thiadiazol-3-yl)methyl]sulfanyl}phosphonothioate i	-1.149174539	View
881	(E)-2-chloro-1-(2,4,5-trichlorophenyl)ethenyl dimethyl phosphate i	-1.019174539	View
883	(1S,2S,3R,5R,6S,7R,8R)-1,6,8,9,10,11,11-heptachloro-4-oxatetracyclo[6.2.1.0²,⁷.0³,⁵]undec-9-ene i	2.200825461	View
902	1,3,5-trichloro-2-(4-nitrophenoxy)benzene i	0.750825461	View
905	tetrachlorobenzene-1,3-dicarbonitrile i	0.270825461	View
925	ethoxy-(4-nitrophenoxy)-phenyl-sulfanylidenephosphorane i	0.015825461	View
931	(azepan-1-yl)(ethylsulfanyl)methanone i	-1.079174539	View
932	octachloronaphthalene i	1.620825461	View
937	Perchloropentacyclo(5.2.1.0(2,6).0(3,9).0(5,8))decane i	1.800825461	View
946	diethoxy-sulfanylidene-(3,5,6-trichloropyridin-2-yl)oxyphosphorane i	0.772825461	View
960	1-{2-[(2R)-butan-2-yl]phenoxy}-N-methylmethanimidic acid i	-0.519174539	View
976	2,4,4'-trichloro-1,1'-biphenyl i	1.880825461	View
1003	2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide i	-1.099174539	View
1010	5-tert-butyl-3-[2,4-dichloro-5-(propan-2-yloxy)phenyl]-2,3-dihydro-1,3,4-oxadiazol-2-one i	0.770825461	View
1016	(4-bromo-2,5-dichlorophenoxy)-methoxy-phenyl-sulfanylidenephosphorane i	1.260825461	View
1027	propan-2-yl 2-{[(S)-ethoxy[(propan-2-yl)amino]sulfanylidene-λ⁵-phosphanyl]oxy}benzoate i	-0.513174539	View
1028	bis(propan-2-yl) (benzylsulfanyl)phosphonate i	-1.200841209	View
1036	N,N-diethyl{[(4-chlorophenyl)methyl]sulfanyl}formamide i	0.655825461	View
1043	2,3',4',5-tetrachloro-1,1'-biphenyl i	2.651518242	View
1049	2,2',4,4',5,5'-hexachloro-1,1'-biphenyl i	2.546539761	View
1057	2,2',5-trichloro-1,1'-biphenyl i	1.865825461	View
1059	2,2',4,5,5'-pentachloro-1,1'-biphenyl i	2.458825461	View
1060	2,2',3,4,5'-pentachloro-1,1'-biphenyl i	2.308325461	View
1061	2,2',3,3',4,4'-hexachloro-1,1'-biphenyl i	2.640825461	View
1070	(R)-cyano(3-phenoxyphenyl)methyl (2S)-2-(4-chlorophenyl)-3-methylbutanoate i	0.690825461	View
1075	2,2',3,4,5,5',6-heptachloro-1,1'-biphenyl i	2.477492161	View
1111	4-[(2R)-dodecan-2-yl]benzene-1-sulfonic acid i	0.340825461	View
1112	3,6,9,12,15,18,21,24-octaoxaheptatriacontan-1-ol i	-0.609174539	View
1113	4-[(5R)-dodecan-5-yl]benzene-1-sulfonic acid i	0.080825461	View
1114	1-{4-methyl-2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pentan-2-yl}-4-(1,1,2,2-tetrafluoroethoxy)benzene i	2.610825461	View
1115	1-(1,1,2,2-tetrafluoroethoxy)-4-{2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]octan-2-yl}benzene i	1.660825461	View
1116	1-[(2S)-2-ethyl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]hexyl]-4-(1,1,2,2-tetrafluoroethoxy)benzene i	2.440825461	View
1117	1-(1,1,2,2-tetrafluoroethoxy)-4-(2,4,4-trimethylpentan-2-yl)benzene i	0.360825461	View
1118	1-(1,1,2,2-tetrafluoroethoxy)-4-[(3R)-2,3,4-trimethylpentan-2-yl]benzene i	0.400825461	View
1119	1-heptyl-4-(1,1,2,2-tetrafluoroethoxy)benzene i	0.290825461	View
1120	O-4-chloro-2-cyanophenyl O,O-dimethyl phosphorothioate i	0.650825461	View
1121	1-chloro-2-[(1S)-2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene i	1.650825461	View
1122	N-(4-ethoxyphenyl)ethanimidic acid i	-0.549174539	View
1123	(chlorodiphenylmethyl)benzene i	-0.149174539	View
1124	tris(2-methylphenyl) phosphate i	0.500825461	View
1125	triethyl phosphate i	-1.094174539	View
1126	(2R)-2-ethylhexyl bis[(2S)-2-ethylhexyl] phosphate i	-0.294174539	View
1127	2,5-bis(tert-butylperoxy)-2,5-dimethylhexane i	0.770825461	View
1128	2-methylbuta-1,3-diene i	-0.609174539	View
1129	2-nitropropane i	-1.199174539	View
1130	(1S,4R)-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane i	0.955825461	View
1131	{2-[(2-phenylpropan-2-yl)peroxy]propan-2-yl}benzene i	-0.009174539	View
1132	1,1,3,3,5-pentamethyl-2,3-dihydro-1H-indene i	0.690825461	View
1133	tetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2,4,6,9,11,13,15-octaen-8-one i	-0.689174539	View
1134	1-chloro-9,10-dihydroanthracene-9,10-dione i	-0.229174539	View
1135	1-amino-9,10-dihydroanthracene-9,10-dione i	-0.594174539	View
1136	(1R,6S,13R)-16,17-dimethoxy-6-(prop-1-en-2-yl)-2,7,20-trioxapentacyclo[11.8.0.0³,¹¹.0⁴,⁸.0¹⁴,¹⁹]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one i	-0.589174539	View
1137	2-phenyl-1,1'-biphenyl i	0.860825461	View
1138	hexachlorobuta-1,3-diene i	2.070825461	View
1139	hexabromobenzene i	0.430825461	View
1140	1,2,3,4,5-pentabromo-6-methylbenzene i	-0.129174539	View
1141	1,2,3,4,5-pentabromo-6-chlorocyclohexane i	-0.314174539	View
1142	2-methylbenzene-1-sulfonamide i	-0.894174539	View
1143	1-chloro-2-nitrobenzene i	-0.579174539	View
1144	2-nitroaniline i	-0.459174539	View
1145	(1R,2S)-cyclohex-4-ene-1,2-dicarboxylic acid i	-0.569174539	View
1146	1,4-dichloro-2-nitrobenzene i	0.560825461	View
1147	4-chloro-2-nitroaniline i	-0.959174539	View
1148	1,2,4-trichloro-5-nitrobenzene i	-0.639174539	View
1149	[1,1'-biphenyl]-2-amine i	-1.059174539	View
1150	benzene-1,2-dicarbonitrile i	-0.674174539	View
1151	1-methoxy-2-nitrobenzene i	-1.044174539	View
1152	N-[3,3'-dimethyl-4'-(3-oxobutanamido)-[1,1'-biphenyl]-4-yl]-3-oxobutanamide i	-1.499174539	View
1153	1,1'-bi(cyclohexane) i	0.380825461	View
1154	10H-phenothiazine i	0.035825461	View
1155	4,4'-dibromo-1,1'-biphenyl i	1.570825461	View
1156	6-nitro-1H-1,3-benzodiazole i	-1.149174539	View
1157	1,3-benzothiazole i	-0.859174539	View
1158	2-bromophenol i	-0.244174539	View
1159	3,4-dimethylaniline i	-0.989174539	View
1160	2,5-dimethylaniline i	-0.994174539	View
1161	2,5-dichloroaniline i	-1.129174539	View
1162	(E)-N-(butan-2-ylidene)hydroxylamine i	-1.329174539	View
1163	2,4-di-tert-butylphenol i	-0.369174539	View
1164	4-methoxy-2-nitroaniline i	-0.869174539	View
1165	(trifluoromethyl)benzene i	-0.479174539	View
1166	benzenesulfonamide i	-0.709174539	View
1167	1-chloro-3-(trifluoromethyl)benzene i	0.640825461	View
1168	1-tert-butyl-4-methylbenzene i	0.310825461	View
1169	(prop-1-en-2-yl)benzene i	-0.709174539	View
1170	(1R)-1-phenylethan-1-amine i	-0.899174539	View
1171	1-methyl-3-nitrobenzene i	-0.794174539	View
1172	1,3-bis(propan-2-yl)benzene i	0.555825461	View
1173	1-chloro-4-nitrobenzene i	-0.484174539	View
1174	1-methoxy-4-nitrobenzene i	-0.954174539	View
1175	1,4-bis(propan-2-yl)benzene i	0.600825461	View
1176	(4R)-4-ethenylcyclohex-1-ene i	-0.414174539	View
1177	4-[(4-amino-3-chlorophenyl)methyl]-2-chloroaniline i	-0.154174539	View
1178	4-benzylphenol i	-0.864174539	View
1179	(2R)-1-(ethenyloxy)-2-ethylhexane i	0.950825461	View
1180	[(benzyloxy)methyl]benzene i	0.630825461	View
1181	N-ethylaniline i	-0.649174539	View
1182	4-nonylphenol i	-0.232507869	View
1183	decylbenzene i	0.630825461	View
1184	4-chlorobenzaldehyde i	0.010825461	View
1185	1,4-diethylbenzene i	-0.009174539	View
1186	1,4-diethenylbenzene i	0.495825461	View
1187	1,4-dibromobenzene i	0.310825461	View
1188	1-chloro-4-methylbenzene i	-0.834174539	View
1189	3-chloroprop-1-ene i	-0.929174539	View
1190	2,4,4-trimethylpent-1-ene i	0.120825461	View
1191	tetradecamethylcycloheptasiloxane i	1.480825461	View
1192	1,3-dibromobenzene i	1.160825461	View
1193	3-chloroaniline i	-0.709174539	View
1194	1,3-diethenylbenzene i	0.590825461	View
1195	2-chloropyridine i	-0.849174539	View
1196	1-chlorobutane i	-0.449174539	View
1197	nonane i	0.970825461	View
1198	dodec-1-ene i	0.830825461	View
1199	triphenyl phosphate i	-0.759174539	View
1200	tris(2-chloroethyl) phosphate i	-0.659174539	View
1201	2-amino-9,10-dihydroanthracene-9,10-dione i	-1.059174539	View
1202	N-ethylnaphthalen-1-amine i	0.430825461	View
1203	4-chloro-1-nitro-2-(trifluoromethyl)benzene i	-0.364174539	View
1204	O,O-diethyl O-6-oxo-1-phenyl-1,6-dihydropyridazin-3-yl phosphorothioate i	-0.699174539	View
1205	2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol i	0.025825461	View
1206	(S)-(4-chlorophenyl)(phenyl)methanol i	-0.889174539	View
1207	1,2,3,4-tetrahydronaphthalene i	0.750825461	View
1208	2-methoxy-5-methylaniline i	-0.999174539	View
1209	2-(1,3-benzothiazol-2-yldisulfanyl)-1,3-benzothiazole i	-0.909174539	View
1210	(3E)-2,2,4,6,6-pentamethylhept-3-ene i	0.700825461	View
1211	non-1-ene i	0.515825461	View
1212	tributyl phosphate i	-0.759174539	View
1213	(2R)-1,1,1,2-tetrachloro-3-[(2R)-2,3,3,3-tetrachloropropoxy]propane i	1.035825461	View
1214	2,6-di-tert-butyl-4-methylphenol i	0.320825461	View
1215	2-chloro-9,10-dihydroanthracene-9,10-dione i	-0.364174539	View
1216	N-phenylnaphthalen-2-amine i	-0.409174539	View
1217	1,3-diethylbenzene i	0.085825461	View
1218	1-butoxybutane i	-0.254174539	View
1219	(3R)-2,2,4-trimethylpentane-1,3-diol i	-1.339174539	View
1220	4-ethoxyaniline i	-1.239174539	View
1221	pentacyclo[12.8.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene i	0.580825461	View
1222	triphenylene i	-0.079174539	View
1223	2-azapentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁵,²⁰]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene i	-0.139174539	View
1224	11H-benzo[b]fluorene i	-0.389174539	View
1225	cyclododecane i	1.330825461	View
1226	dimethoxy-sulfanylidene-(2,4,5-trichlorophenoxy)phosphorane i	0.950825461	View
1227	2,4-dichloro-1-(trifluoromethyl)benzene i	1.810825461	View
1228	1,2-dichloro-4-(trifluoromethyl)benzene i	1.520825461	View
1229	(1S,2S,7R,10S,11S,15S)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecane i	1.670825461	View
1230	1,1,6-trimethyl-1,2,3,4-tetrahydronaphthalene i	0.830825461	View
1231	naphthalene-1,8-diamine i	-0.734174539	View
1232	1,2,3,4-tetramethylbenzene i	1.170825461	View
1233	1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene i	1.410825461	View
1234	1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene i	1.500825461	View
1235	O-3-chloro-4-nitrophenyl O,O-dimethyl phosphorothioate i	-0.469174539	View
1236	2,4,6-trimethylphenol i	-1.299174539	View
1237	1-methyl-3-(propan-2-yl)benzene i	0.070825461	View
1238	dodecamethylcyclohexasiloxane i	2.340825461	View
1239	decamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane i	2.737492161	View
1240	chlorocyclohexane i	0.410825461	View
1241	3-methyl-1-(3-methylbutoxy)butane i	-0.449174539	View
1242	1-methoxy-3-nitrobenzene i	-1.039174539	View
1243	octamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane i	1.880825461	View
1244	1,3-dimethylnaphthalene i	0.514158761	View
1245	N-methyl-N-phenylacetamide i	-1.124174539	View
1246	3-bromophenol i	-0.949174539	View
1247	3-nitrobenzene-1,2-dicarboxylic acid i	-1.569174539	View
1248	1-phenylnaphthalene i	1.720825461	View
1249	methyl 2-benzoylbenzoate i	-1.299174539	View
1250	4-methyl-1,2-dinitrobenzene i	-1.399174539	View
1251	2,4-dichloro-1-nitrobenzene i	0.830825461	View
1252	N,2-dimethylaniline i	-0.739174539	View
1253	1-ethyl-2-nitrobenzene i	-0.564174539	View
1254	2-methylanthracene i	-0.019174539	View
1255	3-methylthiophene i	-1.274174539	View
1256	1,3-dichloro-5-nitrobenzene i	0.570825461	View
1257	benzene-1,4-dicarbonitrile i	-0.814174539	View
1258	benzene-1,3-dicarbonitrile i	-0.619174539	View
1259	1,3,5-tribromobenzene i	1.650825461	View
1260	tridecane i	1.030825461	View
1261	tetradecane i	1.490825461	View
1262	hexadec-1-ene i	1.665825461	View
1263	3,4,5-trichloroaniline i	0.280825461	View
1264	2,4,6-trichloroaniline i	0.670825461	View
1265	1,2,4,5-tetrabromobenzene i	1.345825461	View
1266	2,4,5-trichloroaniline i	-0.009174539	View
1267	N,3-dimethylaniline i	-0.789174539	View
1268	2,4,6-tri-tert-butylphenol i	1.810825461	View
1269	(3S)-3,4-dichlorobut-1-ene i	-1.279174539	View
1270	2,5-dimethylhexa-2,4-diene i	0.490825461	View
1271	triphenylsilanol i	0.065825461	View
1272	undec-1-ene i	0.090825461	View
1273	1-methylphenanthrene i	0.630825461	View
1274	dec-1-ene i	0.650825461	View
1275	1,2,4,5-tetrachloro-3,6-dimethylbenzene i	1.120825461	View
1276	1,2,3,4,5-pentachloro-6-methylbenzene i	1.400825461	View
1277	9-methylphenanthrene i	0.117492161	View
1278	1,1,1,3,3,3-hexafluoropropan-2-ol i	-1.319174539	View
1279	(3R)-3,5,5-trimethylcyclohex-1-ene i	0.720825461	View
1280	2,3,5,6-tetrachlorophenol i	-0.099174539	View
1281	9-chlorophenanthrene i	1.795825461	View
1282	1,2,3,4,5-pentabromo-6-(2,3,4,5,6-pentabromophenoxy)benzene i	1.161921024	View
1283	(2S)-2-ethylhexyl diphenyl phosphate i	-0.149174539	View
1284	tris(4-methylphenyl) phosphate i	0.550825461	View
1285	1,3,5-tri-tert-butylbenzene i	2.700825461	View
1286	(1R,2S,5S)-5-methyl-2-(propan-2-yl)cyclohexan-1-ol i	-1.189174539	View
1287	1-(1,1,2,2-tetrafluoroethoxy)-4-{2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-2-yl}benzene i	2.790825461	View
1288	1,4-diethyl (2R)-2-[(dimethoxyphosphoryl)sulfanyl]butanedioate i	-1.039174539	View
1289	(2-methylpropyl)cyclohexane i	0.910825461	View
1290	1-chloro-4-(prop-1-en-2-yl)benzene i	1.295825461	View
1291	1,2,3,6,7,8-hexahydropyrene i	0.420825461	View
1292	octylcyclohexane i	1.100825461	View
1293	1,2,3,4,5-pentachloro-6-methoxybenzene i	2.670825461	View
1294	1,4-dichloronaphthalene i	2.370825461	View
1295	1,3,5-trimethylcyclohexane i	1.710825461	View
1296	(2,3-dimethyl-3-phenylbutan-2-yl)benzene i	0.870825461	View
1297	2-(propan-2-yl)naphthalene i	0.997492161	View
1298	4-methyl-3-nitrophenol i	-0.799174539	View
1299	(6R)-2,6-dimethyloctane i	0.610825461	View
1300	O-4-bromo-2,5-dichlorophenyl O,O-dimethyl phosphorothioate i	0.970825461	View
1301	2-(2-methylpropoxy)naphthalene i	0.230825461	View
1302	octylbenzene i	0.220825461	View
1303	1-methoxynaphthalene i	0.390825461	View
1304	(2S,4aS,4bS,8aR,10aS)-2-(propan-2-yl)-tetradecahydrophenanthrene i	1.520825461	View
1305	naphthalene-1,5-diamine i	-0.524174539	View
1306	dimethyl 3-methyl-4-nitrophenyl phosphate i	0.010825461	View
1307	1-methylpyrene i	0.110825461	View
1308	tridec-1-ene i	0.730825461	View
1309	4,5-dichloro-2-methoxyphenol i	-0.149174539	View
1310	O-2-chloro-4-nitrophenyl O,O-dimethyl phosphorothioate i	0.010825461	View
1311	O,O-diethyl {[2-(ethanesulfonyl)ethyl]sulfanyl}phosphonothioate i	-0.669174539	View
1312	7,12-dihydrotetraphene-7,12-dione i	-0.839174539	View
1313	7-methyltetraphene i	-0.054174539	View
1314	ethyl (2S)-2-{[dimethoxy(sulfanylidene)-λ⁵-phosphanyl]sulfanyl}-2-phenylacetate i	-0.749174539	View
1315	N-methyl-1-[2-(propan-2-yl)phenoxy]methanimidic acid i	-1.254174539	View
1316	O-4-cyanophenyl O,O-dimethyl phosphorothioate i	0.230825461	View
1317	3,5-di-tert-butyl-[1,1'-biphenyl]-4-ol i	1.160825461	View
1318	2-methylnon-1-ene i	-0.059174539	View
1319	(3R)-2,3-dimethylheptane i	1.275825461	View
1320	(1R,2R,5R,6S,9R,10S)-1,2,5,6,9,10-hexabromocyclododecane i	2.110825461	View
1321	(1R,2S,5S,6S,9S,10R)-1,2,5,6,9,10-hexabromocyclododecane i	2.070825461	View
1322	1,2-dichloro-3-nitrobenzene i	0.540825461	View
1323	1,3-dibromo-2,2-bis(bromomethyl)propane i	0.755825461	View
1324	2,2-bis(bromomethyl)propane-1,3-diol i	-1.399174539	View
1325	(2-cyclohexylethyl)cyclohexane i	0.130825461	View
1326	9-ethylphenanthrene i	0.290825461	View
1327	O-4-[(R)-methanesulfinyl]-3-methylphenyl O,O-dimethyl phosphorothioate i	-0.379174539	View
1328	O-4-methanesulfonyl-3-methylphenyl O,O-dimethyl phosphorothioate i	-0.029174539	View
1329	(2S)-2-methoxy-2,4-dihydro-1,3,2λ⁵-benzodioxaphosphinine-2-thione i	-1.149174539	View
1330	2-(2H-1,2,3-benzotriazol-2-yl)-4,6-di-tert-butylphenol i	0.890825461	View
1331	2,4-di-tert-butyl-6-(5-chloro-2H-1,2,3-benzotriazol-2-yl)phenol i	0.720825461	View
1332	(6S,10R)-2,6,10-trimethyldodecane i	1.358325461	View
1333	1,10-dibromodecane i	-0.469174539	View
1334	2,6-di-tert-butyl-4-ethylphenol i	0.855825461	View
1335	(1R,4R)-1,4-dimethyl-1,2,3,4-tetrahydronaphthalene i	0.720825461	View
1336	hexylcyclohexane i	0.700825461	View
1337	(3S)-3,5,5-trimethylhex-1-ene i	1.070825461	View
1338	(6S)-2,2,4,4,6,8,8-heptamethylnonane i	1.810825461	View
1339	2,6-dicyclohexylphenol i	0.195825461	View
1340	N-cyclohexyl-N-nitrosohydroxylamine i	-0.899174539	View
1341	(1E,5E,9E)-cyclododeca-1,5,9-triene i	1.740825461	View
1342	3,3',4,4'-tetramethyl-1,1'-biphenyl i	-0.009174539	View
1343	(1R,2S,3R,4R,6S,7S)-1,3,4,7,8,9,10,10-octachlorotricyclo[5.2.1.0²,⁶]dec-8-ene i	1.865825461	View
1344	(1R,2S,3R,4R,6S,7S)-1,3,4,7,8,9,10,10-octachlorotricyclo[5.2.1.0²,⁶]dec-8-ene i	2.050825461	View
1345	3-nitro-N-phenyl-4-(phenylamino)benzene-1-sulfonamide i	-0.659174539	View
1346	(1S,4aR,10aS)-1,4a-dimethyl-6-(propan-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene i	0.590825461	View
1347	1,2,3,4,5,6,7,8-octahydrophenanthrene i	0.760825461	View
1348	2-methyl-5-nitrophenol i	-1.239174539	View
1349	2,6-bis[(2R)-butan-2-yl]phenol i	-0.219174539	View
1350	(1R,2R,3S,4S,6S,7S)-1,3,4,7,8,9,10,10-octachlorotricyclo[5.2.1.0²,⁶]dec-8-ene i	2.230825461	View
1351	heptylcyclohexane i	0.170825461	View
1352	4-ethyl-1,1'-biphenyl i	0.064158761	View
1353	(4S)-4-methyldodecane i	0.980825461	View
1354	1,4-dimethyl-2-[(1S)-1-phenylethyl]benzene i	0.100825461	View
1355	1,2,4-trichloro-5-methylbenzene i	2.010825461	View
1356	(2E,4S,6R)-4,6,8-trimethylnon-2-ene i	0.510825461	View
1357	2-methyldecane i	0.100825461	View
1358	2-methylundecane i	0.840825461	View
1359	4-pentyl-1,1'-biphenyl i	0.030825461	View
1360	9-butylphenanthrene i	0.290825461	View
1361	(1S,2S,3R,4R,6S,7R)-1,3,4,7,8,9,10,10-octachlorotricyclo[5.2.1.0²,⁶]dec-8-ene i	2.740825461	View
1362	1,2,2,3-tetrachloropropane i	-0.279174539	View
1363	(6S)-2,6-dimethyldecane i	0.315825461	View
1364	(3S)-3-methyldecane i	0.560825461	View
1365	(1R,2R,6R,7R)-4-[(2R)-2-ethylhexyl]-1-methyl-7-(propan-2-yl)-4-azatricyclo[5.2.2.0²,⁶]undec-8-ene-3,5-dione i	0.305825461	View
1366	2,2,4,6,6-pentamethylheptane i	0.723325461	View
1367	2-benzyl-1,4-dimethylbenzene i	0.445825461	View
1368	(2R)-1-chloropropan-2-yl bis[(2S)-1-chloropropan-2-yl] phosphate i	-1.309174539	View
1369	tris(1,3-dichloropropan-2-yl) phosphate i	-0.519174539	View
1370	2-pentyl-9,10-dihydroanthracene-9,10-dione i	0.200825461	View
1371	N-diethoxyphosphinothioyloxybenzenecarboximidoyl cyanide i	0.840825461	View
1372	(1S,3Z,4R)-1,7,7-trimethyl-3-(phenylmethylidene)bicyclo[2.2.1]heptan-2-one i	-0.209174539	View
1373	2,3,6,7-tetramethylanthracene i	0.590825461	View
1374	(2,6-dichlorophenyl)methanol i	-1.374174539	View
1375	hexadecane i	1.470825461	View
1376	2,4,5-trichloro-1,1'-biphenyl i	1.840825461	View
1377	(1S,4S,5E)-5-ethylidenebicyclo[2.2.1]hept-2-ene i	-0.564174539	View
1378	2-methyldodec-1-ene i	0.640825461	View
1379	2,3-dichloro-1,1'-biphenyl i	2.150825461	View
1380	2,4',5-trichloro-1,1'-biphenyl i	1.910825461	View
1381	1,6-ditridecyl hexanedioate i	-0.429174539	View
1382	1-ethylpyrene i	0.240825461	View
1383	ethyl bis(phenylsulfanyl)phosphinate i	-1.035174539	View
1384	(6R)-2,6-dimethylundecane i	1.020825461	View
1385	3-ethylnonane i	0.750825461	View
1386	(3R)-2,3-dimethyldecane i	0.645825461	View
1387	1,2,3-trichloro-4-nitrobenzene i	-0.189174539	View
1388	2-methyltridec-1-ene i	0.730825461	View
1389	(2,5-dichloro-4-iodophenoxy)-dimethoxy-sulfanylidenephosphorane i	0.860825461	View
1390	2-methylundec-1-ene i	0.170825461	View
1391	1,3,5-trichloro-2-nitrobenzene i	0.710825461	View
1392	O,O-diethyl O-5-phenyl-1,2-oxazol-3-yl phosphorothioate i	1.050825461	View
1393	1,2,3,7,8,9-hexachlorooxanthrene i	1.300825461	View
1394	(5S)-5-ethylnon-1-ene i	0.930825461	View
1395	1,2,3,4-tetrachloronaphthalene i	1.200825461	View
1396	2-(thiocyanatomethylsulfanyl)-1,3-benzothiazole i	-1.009174539	View
1397	1,4-di(propan-2-yl)cyclohexane i	0.970825461	View
1398	2,2,5,7-tetramethyl-1,2,3,4-tetrahydronaphthalene i	0.320825461	View
1399	1,2-bis(propan-2-yl)benzene i	0.570825461	View
1400	2-methylphenyl diphenyl phosphate i	-0.269174539	View
1401	1,2-dibenzyl-3-methylbenzene i	1.550825461	View
1402	(2R)-2-ethylhexyl 4-amino-3,5,6-trichloropyridine-2-carboxylate i	0.450825461	View
1403	2,4-dichloro-1-(2,4-dichlorophenoxy)benzene i	2.280825461	View
1404	1-ethenyl-3-ethylbenzene i	0.160825461	View
1405	3,3'-diethyl-1,1'-biphenyl i	1.240825461	View
1406	1,2,3,4,5-pentachloro-6-(1,2,2-trichloroethenyl)benzene i	2.040825461	View
1407	1-(propan-2-yl)naphthalene i	0.130825461	View
1408	2,3-dichlorooxanthrene i	0.330825461	View
1409	8-methylnonyl diphenyl phosphate i	-0.139174539	View
1410	(2S)-2-[(2,3-dibromo-6-methylphenoxy)methyl]oxirane i	-1.209174539	View
1411	2,3',4,4',5-pentachloro-1,1'-biphenyl i	2.189158761	View
1412	1,2,3,4,5-pentachloro-6-(2,3,4,5,6-pentachlorophenoxy)benzene i	1.800825461	View
1413	2,3',4,4'-tetrachloro-1,1'-biphenyl i	2.074158761	View
1414	3,3',4,4'-tetrachloro-1,1'-biphenyl i	1.352948384	View
1415	2,3,3',4,4'-pentachloro-1,1'-biphenyl i	2.059158761	View
1416	[(2-chloroethoxy)(phenyl)methyl]benzene i	-0.069174539	View
1417	2,4,4',5-tetrachloro-1,1'-biphenyl i	2.554158761	View
1418	(1S,3S)-3-phenyl-1,1'-bi(cyclohexane) i	0.450825461	View
1419	O,O-dimethyl O-phenyl phosphorothioate i	0.750825461	View
1420	2,5-dichloro-1,1'-biphenyl i	2.375825461	View
1421	3,5-dichloro-1,1'-biphenyl i	1.105825461	View
1422	2,2',3,4,4',5'-hexachloro-1,1'-biphenyl i	2.588825461	View
1423	2,2',3,4,4',5-hexachloro-1,1'-biphenyl i	2.344158761	View
1424	2,2',3,3',4,4',5,5'-octachloro-1,1'-biphenyl i	3	View
1425	1,2,3-tris(propan-2-yl)naphthalene i	1.745825461	View
1426	1,3,5-tribromo-2-[(2S)-2,3-dibromo-2-methylpropoxy]benzene i	2.210825461	View
1427	[(2R)-butan-2-yl][(S)-ethoxy(5-methyl-2-nitrophenoxy)sulfanylidene-λ⁵-phosphanyl]amine i	-0.199174539	View
1428	2,2',3,4'-tetrachloro-1,1'-biphenyl i	2.620825461	View
1429	2,2',4,4',5-pentachloro-1,1'-biphenyl i	2.73417137	View
1430	2,3,3',4',6-pentachloro-1,1'-biphenyl i	2.634158761	View
1431	2,2',3,3',4,6'-hexachloro-1,1'-biphenyl i	2.239618512	View
1432	2,3,3',4,4',5-hexachloro-1,1'-biphenyl i	2.728825461	View
1433	2,2',3,3',6,6'-hexachloro-1,1'-biphenyl i	2.335825461	View
1434	2,2',3,3',4,5,6'-heptachloro-1,1'-biphenyl i	2.465111161	View
1435	2,2',6-trichloro-1,1'-biphenyl i	2.497492161	View
1436	2,4',6-trichloro-1,1'-biphenyl i	2.437492161	View
1437	2,3,4'-trichloro-1,1'-biphenyl i	2.160825461	View
1438	2,2',3,3'-tetrachloro-1,1'-biphenyl i	1.998825461	View
1439	1,2-bis(propan-2-yl)naphthalene i	0.730825461	View
1440	1,2,3,4,7,8-hexachlorooxanthrene i	1.270825461	View
1441	2,3,3',4,4',5,5'-heptachloro-1,1'-biphenyl i	2.320825461	View
1442	2,2',3,3',4,5',6,6'-octachloro-1,1'-biphenyl i	2.464158761	View
1443	2,2',3,3',4,4',5,5',6-nonachloro-1,1'-biphenyl i	2.675825461	View
1444	1,2,3,7,8-pentachlorooxanthrene i	1.560825461	View
1445	2,7-bis(propan-2-yl)naphthalene i	0.325825461	View
1446	4'-hexyl-[1,1'-biphenyl]-4-carbonitrile i	0.850825461	View
1447	2,2',3,5'-tetrachloro-1,1'-biphenyl i	2.328825461	View
1448	2,3,3',4'-tetrachloro-1,1'-biphenyl i	2.465825461	View
1449	2,2',3,6'-tetrachloro-1,1'-biphenyl i	2.180825461	View
1450	2,2',3,4',5'-pentachloro-1,1'-biphenyl i	2.547492161	View
1451	2,2',3,3'-tetrachloro-[1,1'-biphenyl]-4,4'-diamine i	1.275825461	View
1452	(3R,5S)-1,1,3,5-tetramethylcyclohexane i	2.180825461	View
1453	5-methylidenetridecane i	0.880825461	View
1454	2,2',3,4',5,5'-hexachloro-1,1'-biphenyl i	2.397492161	View
1455	2,3,4',6-tetrachloro-1,1'-biphenyl i	2.350825461	View
1456	2,2',3,4',5,5',6-heptachloro-1,1'-biphenyl i	2.450825461	View
1457	2,2',3,4,4',5',6-heptachloro-1,1'-biphenyl i	2.590825461	View
1458	2,2',3,3',4,5',6'-heptachloro-1,1'-biphenyl i	2.500825461	View
1459	2,2',3,3',4,4',6-heptachloro-1,1'-biphenyl i	2.517492161	View
1460	2,3',4,4',5,5'-hexachloro-1,1'-biphenyl i	2.434158761	View
1461	2,2',3,3',4,5,5'-heptachloro-1,1'-biphenyl i	2.510825461	View
1462	2,2',3,3',4,5,5',6'-octachloro-1,1'-biphenyl i	2.474158761	View
1463	2,2',3,3',4,5,5',6,6'-nonachloro-1,1'-biphenyl i	2.630825461	View
1464	2,2',3,3',4,4',5,6-octachloro-1,1'-biphenyl i	2.536825461	View
1465	2,2',3,3',4,4',5,6,6'-nonachloro-1,1'-biphenyl i	2.657492161	View
1466	2,2',3,3',6,6'-hexachloro-1,1'-biphenyl i	2.324158761	View
1467	(1R,3R)-1-hexyl-3-methylcyclohexane i	0.970825461	View
1468	(S)-cyano(3-phenoxyphenyl)methyl (1R,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylate i	0.510825461	View
1469	1,2,3-trichloro-4-methoxybenzene i	1.395825461	View
1470	(2,6-dichloro-4-methylphenoxy)-dimethoxy-sulfanylidenephosphorane i	-0.109174539	View
1471	3,4,5-trichloro-2-methoxyphenol i	0.110825461	View
1472	4,5,6,11,12-pentachloro-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5,10,12-hexaene i	1.360825461	View
1473	4,5,6,10,11-pentachloro-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5,10,12-hexaene i	0.900825461	View
1474	3,4,5,10,11,12-hexachloro-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5,10,12-hexaene i	1.000825461	View
1475	3,3',4,4',5-pentachloro-1,1'-biphenyl i	2.400825461	View
1476	1,2,3,6,7,8-hexachlorooxanthrene i	1.210825461	View
1477	2,4-dichloro-1-(4-chlorophenoxy)benzene i	1.720825461	View
1478	2,4,6-tribromo-1,1'-biphenyl i	1.250825461	View
1479	2,2',5,6'-tetrabromo-1,1'-biphenyl i	2.760825461	View
1480	2,2',4,4',6,6'-hexabromo-1,1'-biphenyl i	2.660825461	View
1481	(1R)-1-(2-chlorophenyl)ethane-1,2-diol i	-1.129174539	View
1482	1,2,4-trichloro-5-(2,4-dichlorophenoxy)benzene i	2.020825461	View
1483	2,2',3,3',5-pentachloro-1,1'-biphenyl i	2.444158761	View
1484	2,2',3,4,4',5,6'-heptachloro-1,1'-biphenyl i	2.507492161	View
1485	trihexylsilanol i	0.040825461	View
1486	4,5,6,10,11,12-hexachloro-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5,10,12-hexaene i	1.120825461	View
1487	1,2,4-trichloro-5-(4-chlorophenoxy)benzene i	1.930825461	View
1488	(3-phenoxyphenyl)methyl (1S,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate i	0.370825461	View
1489	(3R)-2,2,3-trimethyldecane i	0.975825461	View
1490	1-[2-(3,5-dimethylphenyl)ethyl]-3,5-dimethylbenzene i	1.140825461	View
1491	N-[3-(propan-2-yloxy)phenyl]-2-(trifluoromethyl)benzene-1-carboximidic acid i	-0.609174539	View
1492	(R)-cyano(3-phenoxyphenyl)methyl (1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate i	0.700825461	View
1493	3,4,5,6,10,11,12-heptachloro-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5,10,12-hexaene i	0.900825461	View
1494	2,2',4,6'-tetrachloro-1,1'-biphenyl i	2.470825461	View
1495	2,2',3,4',6-pentachloro-1,1'-biphenyl i	2.613325461	View
1496	2,2',3,4,5',6-hexachloro-1,1'-biphenyl i	2.234158761	View
1497	1,2-didodecyl benzene-1,2-dicarboxylate i	-0.609174539	View
1498	1,2-bis(7-methyloctyl) benzene-1,2-dicarboxylate i	-0.459174539	View
1499	1,2-bis(8-methylnonyl) benzene-1,2-dicarboxylate i	-0.469174539	View
1500	8-methylnonan-1-ol i	0.585825461	View
1501	11-methyldodecan-1-ol i	0.080825461	View
1502	methyl (2S)-2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate i	-1.079174539	View
1503	2,2',3,6-tetrachloro-1,1'-biphenyl i	2.384158761	View
1504	2,2',3,5-tetrachloro-1,1'-biphenyl i	2.795220213	View
1505	3,4,4',5-tetrachloro-1,1'-biphenyl i	1.690825461	View
1506	1,2,3,4-tetrachloro-5-(2,4-dichlorophenoxy)benzene i	1.750825461	View
1507	1,2,4-trichloro-5-(2,4,5-trichlorophenoxy)benzene i	1.980825461	View
1508	1,2-bis(5-methylhexyl) benzene-1,2-dicarboxylate i	0.130825461	View
1509	2,3,3',6-tetrachloro-1,1'-biphenyl i	2.470825461	View
1510	2,3,4',5-tetrachloro-1,1'-biphenyl i	2.427492161	View
1511	2,3,4,4',5-pentachloro-1,1'-biphenyl i	2.364158761	View
1512	2,3,4,4',6-pentachloro-1,1'-biphenyl i	1.84010757	View
1513	2,3,3',4,4',6-hexachloro-1,1'-biphenyl i	2.574158761	View
1514	2,3,3',4',5,6-hexachloro-1,1'-biphenyl i	2.610825461	View
1515	2,3,3',4,4',5,5',6-octachloro-1,1'-biphenyl i	2.650825461	View
1516	5,10-dichloro-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5,10,12-hexaene i	0.580825461	View
1517	3,4,5,6,10,11-hexachloro-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5,10,12-hexaene i	0.430825461	View
1518	1,2,3,4-tetrachloro-5-(2,4,5-trichlorophenoxy)benzene i	1.970825461	View
1519	4-(7-methyloctyl)phenol i	0.030825461	View
1520	1,2-bis(9-methyldecyl) benzene-1,2-dicarboxylate i	-0.599174539	View
1521	1,6-bis(7-methyloctyl) hexanedioate i	-0.609174539	View
1522	1,3,5-trichloro-2-(2,4-dichlorophenoxy)benzene i	1.690825461	View
1523	1,3,5-trichloro-2-(2,4,5-trichlorophenoxy)benzene i	2.010825461	View
1524	1,2,3,5-tetrachloro-4-(2,4-dichlorophenoxy)benzene i	2.760825461	View
1525	5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-trifluoromethanesulfonyl-1H-pyrazole-3-carbonitrile i	1.050825461	View
1526	5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(R)-trifluoromethanesulfinyl]-1H-pyrazole-3-carbonitrile i	-0.214174539	View
1527	(3E)-2,4,6-trimethylhept-3-ene i	0.920825461	View
1528	3,5-dichloro-N-[(3R)-1-chloro-3-methyl-2-oxopentan-3-yl]-4-methylbenzene-1-carboximidic acid i	0.160825461	View
1529	2-(2-{2-[(9-methyldecyl)oxy]ethoxy}ethoxy)ethan-1-ol i	0.450825461	View
1530	1,2,3-tribromo-4-(2,4,5-tribromophenoxy)benzene i	1.554046583	View
1531	6,7-dimethyl-1-(4-methylpentyl)naphthalene i	0.055825461	View
1532	butyl (2R)-2-[4-(4-amino-2-fluorophenoxy)phenoxy]propanoate i	-0.779174539	View
1533	methyl (2R)-2-(4-{[3-fluoro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate i	-1.319174539	View
1534	(2R,3aS,5aS,5bS,9R,13R,14R,16aR,16bS)-13-{[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy}-2-{[(2R,3S,4S,5S,6R)-4-ethoxy-3,5-dimethoxy-6-methyloxan-2-yl]oxy}-9-ethyl-4,14-dimethyl-1H,2H,3H,3aH,5aH,5bH,6H,7H,9H,10H,11H,12H,13H,14H,15H,16aH,16bH-as-indaceno[3,2-d]oxacyclododecane-7,15-dione i	0.490825461	View
1535	(2R,3aS,5aS,5bS,9R,13R,14R,16aR,16bR)-13-{[(2S,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy}-2-{[(2S,3S,4S,5S,6R)-4-ethoxy-3,5-dimethoxy-6-methyloxan-2-yl]oxy}-9-ethyl-14-methyl-1H,2H,3H,3aH,4H,5H,5aH,5bH,6H,7H,9H,10H,11H,12H,13H,14H,15H,16aH,16bH-as-indaceno[3,2-d]oxacyclododecane-7,15-dione i	0.340825461	View
1536	(2R,3aR,5aS,5bS,9S,13R,14R,16aR,16bS)-13-{[(2R,5S,6S)-5-(dimethylamino)-6-methyloxan-2-yl]oxy}-4,14-dimethyl-9-propyl-2-{[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-1H,2H,3H,3aH,5aH,5bH,6H,7H,8H,9H,10H,11H,12H,13H,14H,15H,16aH,16bH-cyclododeca[b]as-indacene-7,15-dione i	0.450825461	View
1537	(2S,3aR,5aR,5bS,9S,13S,14R,16aR,16bR)-13-{[(2R,5S,6S)-5-(dimethylamino)-6-methyloxan-2-yl]oxy}-14-methyl-9-propyl-2-{[(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-1H,2H,3H,3aH,5aH,5bH,6H,7H,8H,9H,10H,11H,12H,13H,14H,15H,16aH,16bH-cyclododeca[b]as-indacene-7,15-dione i	0.410825461	View
1538	6-butyl-2,3-dimethylnaphthalene i	0.240825461	View
1539	(2S,4aR,8aR)-2-(propan-2-yl)-decahydronaphthalene i	0.907492161	View
1540	(4,4-dimethylpentyl)benzene i	0.010825461	View
1541	(1S,2R,4S)-1,4-dimethyl-2-(2-methylpropyl)cyclohexane i	0.800825461	View
1542	6-hexyl-1,2,3,4-tetrahydronaphthalene i	0.630825461	View
1543	1-octylpyrene i	1.260825461	View
1544	2-methylnaphthalene i	1.020825461	View
1545	1,3-dimethylnaphthalene i	0.680825461	View
1546	2,3,6-trimethylnaphthalene i	0.570825461	View

Bibliography

Arnot, J. A.; Mackay, D.; Parkerton, T. F.; Bonnell, M. A database of fish biotransformation rates for organic chemicals. Environmental Toxicology and Chemistry 2008, 27, 2263–2270. https://doi.org/10.1897/08-058.1

Search

Chemical search

Advanced Search

Browse

All of QsarDB
Communities & Collections By Submit Date Authors Titles Journals Endpoints Species Descriptor calculation software Modeling software Model type
This Collection
By Submit Date Authors Titles Journals Endpoints Species Descriptor calculation software Modeling software Model type

10967/177 - QDB Compounds

QsarDB Repository

Gramatica, P.; Cassani, S.; Chirico, N. QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS. J. Comput. Chem. 2014, 35, 1036–1044.

Bibliography

Search

Browse

All of QsarDB

This Collection

My Account