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.

449 compounds | Property M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]

ID	Name	M1.pLC50	Details
300	4-chloro-2-[(5-chloro-2-hydroxyphenyl)methyl]phenol i	5.94	View
331	4-(2-methylbutan-2-yl)phenol i	4.8	View
333	4-chloro-3-methylphenol i	4.42	View
339	4-tert-butylphenol i	4.47	View
346	4-ethylphenol i	4.07	View
347	4-methylphenol i	3.82	View
348	1,2-diethyl benzene-1,2-dicarboxylate i	3.85	View
354	butyl acetate i	3.81	View
360	methyl acetate i	2.32	View
362	1,2-dibutyl benzene-1,2-dicarboxylate i	5.45	View
363	ethyl 4-aminobenzoate i	3.67	View
364	1,6-dibutyl hexanedioate i	4.85	View
365	2-methylpropyl prop-2-enoate i	4.79	View
366	propyl acetate i	3.23	View
368	2-ethoxyethyl acetate i	3.5	View
369	ethyl 2-hydroxybenzoate i	3.91	View
370	ethyl hexanoate i	4.21	View
371	1,4-dibutyl butanedioate i	4.71	View
373	ethyl acetate i	2.58	View
374	hexyl acetate i	4.52	View
375	methyl 4-nitrobenzoate i	3.88	View
376	2-hydroxyethyl prop-2-enoate i	4.38	View
377	(2R)-2-hydroxypropyl prop-2-enoate i	4.59	View
378	methyl 4-chlorobenzoate i	4.19	View
379	methyl 2,4-dihydroxybenzoate i	3.57	View
381	methyl 2,5-dichlorobenzoate i	4.17	View
382	cyclohexyl prop-2-enoate i	5.02	View
383	1,4-dimethyl 2-nitrobenzene-1,4-dicarboxylate i	4.56	View
384	1,4-dimethyl 2-aminobenzene-1,4-dicarboxylate i	4.37	View
385	methyl 4-chloro-2-nitrobenzoate i	3.89	View
389	benzenecarboximidic acid i	2.26	View
395	ethoxyethane i	1.46	View
398	aniline i	2.95	View
401	N-methyl-1-(naphthalen-1-yloxy)methanimidic acid i	4.36	View
402	ethanol i	0.5	View
406	methanol i	0.04	View
407	propan-2-ol i	0.84	View
408	propan-2-one i	0.91	View
409	trichloromethane i	3.23	View
410	hexachloroethane i	5.22	View
412	propan-1-ol i	1.12	View
413	butan-1-ol i	1.63	View
414	pentan-1-ol i	2.27	View
415	benzene i	3.5	View
421	acetaldehyde i	3.12	View
422	dichloromethane i	2.41	View
424	2-methylpropan-2-ol i	1.06	View
426	1,1,1,2,2-pentachloroethane i	4.43	View
427	2-methylpropan-1-ol i	1.71	View
428	(2S)-1,2-dichloropropane i	2.95	View
429	butan-2-one i	1.35	View
430	1,1,2-trichloroethene i	3.47	View
433	1,1,2,2-tetrachloroethane i	3.92	View
440	2,4,6-trichlorophenol i	4.61	View
442	2-nitrophenol i	2.94	View
446	naphthalene i	4.32	View
454	1,2-xylene i	3.81	View
455	2-methylphenol i	3.89	View
456	1,2-dichlorobenzene i	4.19	View
457	2-chloroaniline i	4.35	View
459	1,2,4-trimethylbenzene i	4.19	View
461	1,2,4,5-tetrachlorobenzene i	5.8	View
464	1,2,3-trichloropropane i	3.41	View
465	pentan-3-one i	1.75	View
467	1-phenylethan-1-one i	2.87	View
468	nitrobenzene i	3.02	View
470	4-nitrophenol i	3.49	View
471	ethylbenzene i	4.01	View
472	ethenylbenzene i	4.41	View
475	phenoxybenzene i	4.63	View
478	2,4-dimethylphenol i	3.87	View
479	1,4-xylene i	4.08	View
480	1,4-dichlorobenzene i	4.56	View
481	4-chloroaniline i	3.61	View
484	1,2-dichloroethane i	2.86	View
485	propanenitrile i	1.56	View
493	4-methylpentan-2-one i	2.28	View
494	1,3-xylene i	3.82	View
500	toluene i	3.41	View
501	4-methylpyridine i	2.36	View
502	chlorobenzene i	3.82	View
504	cyclohexanol i	2.15	View
505	cyclohexanone i	2.2	View
506	phenol i	3.46	View
507	3-methylpyridine i	2.81	View
510	butan-1-amine i	2.44	View
512	oxolane i	1.52	View
513	furan i	3.05	View
515	heptan-2-one i	2.94	View
516	hexane i	4.54	View
518	cyclohexane i	4.27	View
520	pyridine i	2.9	View
521	hexan-1-ol i	3.02	View
527	octan-1-ol i	3.98	View
530	N-methyl-1-[2-(propan-2-yloxy)phenoxy]methanimidic acid i	4.38	View
536	diphenylmethanone i	4.09	View
538	benzene-1,2-diol i	4.08	View
539	1,2,4-trichlorobenzene i	4.78	View
540	2,4-dichlorophenol i	4.32	View
541	1-methyl-2,4-dinitrobenzene i	3.88	View
542	N,N-dimethylaniline i	3.19	View
543	1,4-diethyl (2R)-2-{[dimethoxy(sulfanylidene)-λ⁵-phosphanyl]sulfanyl}butanedioate i	4.37	View
545	N-phenylaniline i	4.65	View
547	butanal i	3.69	View
548	1,4-dioxane i	0.93	View
556	2-aminoethan-1-ol i	1.47	View
568	N'-(3,4-dichlorophenyl)-N,N-dimethylcarbamimidic acid i	4.22	View
570	O,O-diethyl O-6-methyl-2-(propan-2-yl)pyrimidin-4-yl phosphorothioate i	4.51	View
574	2-methyl-4,6-dinitrophenol i	5.06	View
575	1,3-dichlorobenzene i	4.26	View
579	hexan-2-one i	2.37	View
583	1,2,3,4,5-pentachlorobenzene i	6	View
588	1,2,3,4-tetrachlorobenzene i	5.29	View
593	1-[(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)oxy]-N-methylmethanimidic acid i	5.42	View
595	2-methoxy-2-methylpropane i	2.12	View
636	2,3,4,6-tetrachlorophenol i	5.35	View
646	1,1,1-trichloroethane i	3.45	View
660	1,1,2-trichloroethane i	3.21	View
664	1,2-dihydroacenaphthylene i	4.95	View
677	pentachlorophenol i	6.08	View
678	2-[(2R)-butan-2-yl]-4,6-dinitrophenol i	5.65	View
679	naphthalen-1-ol i	4.49	View
684	N,N-diethylaniline i	3.96	View
700	2-chlorophenol i	4.05	View
701	3,4-dichloroaniline i	4.33	View
715	4-nitroaniline i	3.04	View
717	N-methylaniline i	3.03	View
734	4-bromoaniline i	3.56	View
736	4-chlorophenol i	4.32	View
737	4-methylaniline i	2.83	View
745	heptan-1-ol i	3.53	View
746	decan-1-ol i	4.82	View
751	2,2,2-trichloro-1,1-bis(4-chlorophenyl)ethan-1-ol i	5.79	View
752	O,O-diethyl O-4-[(R)-methanesulfinyl]phenyl phosphorothioate i	3.85	View
767	tetrachloroethene i	4	View
776	nonan-1-ol i	4.4	View
781	3-methoxyphenol i	3.23	View
783	4-methoxyphenol i	3.05	View
802	5-bromo-3-[(2S)-butan-2-yl]-2-hydroxy-6-methyl-3,4-dihydropyrimidin-4-one i	3.15	View
845	4-nitrobenzamide i	3.1	View
851	2,3,4-trichloroaniline i	4.73	View
860	N-(3,4-dichlorophenyl)propanimidic acid i	4.41	View
867	O,O-diethyl ({[(4-chlorophenyl)sulfanyl]methyl}sulfanyl)phosphonothioate i	6.16	View
888	tetrachlorobenzene-1,2-diol i	5.29	View
920	2,6-dichlorobenzene-1-carboximidic acid i	2.61	View
925	ethoxy-(4-nitrophenoxy)-phenyl-sulfanylidenephosphorane i	6.61	View
946	diethoxy-sulfanylidene-(3,5,6-trichloropyridin-2-yl)oxyphosphorane i	6.04	View
956	2,3,5,6-tetrachloroaniline i	5.93	View
1003	2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide i	4.73	View
1070	(R)-cyano(3-phenoxyphenyl)methyl (2S)-2-(4-chlorophenyl)-3-methylbutanoate i	8.45	View
1073	(3-phenoxyphenyl)methyl (1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate i	7.39	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	7.88	View
1138	hexachlorobuta-1,3-diene i	6.46	View
1143	1-chloro-2-nitrobenzene i	3.73	View
1171	1-methyl-3-nitrobenzene i	3.73	View
1182	4-nonylphenol i	6.2	View
1184	4-chlorobenzaldehyde i	4.8	View
1212	tributyl phosphate i	4.45	View
1214	2,6-di-tert-butyl-4-methylphenol i	5.78	View
1217	1,3-diethylbenzene i	4.51	View
1218	1-butoxybutane i	3.61	View
1236	2,4,6-trimethylphenol i	4.02	View
1269	(3S)-3,4-dichlorobut-1-ene i	4.18	View
1270	2,5-dimethylhexa-2,4-diene i	4.47	View
1278	1,1,1,3,3,3-hexafluoropropan-2-ol i	2.84	View
1309	4,5-dichloro-2-methoxyphenol i	4.64	View
1589	4,6-dihydroxy-5-methyl-5-phenyl-2,5-dihydropyrimidin-2-one i	2.68	View
1590	2,4-dinitrophenol i	4.23	View
1591	ethyl carbamate i	1.23	View
1592	5-ethyl-4,6-dihydroxy-5-[(2S)-pentan-2-yl]-2,5-dihydropyrimidin-2-one i	3.7	View
1593	5-ethyl-4,6-dihydroxy-5-(3-methylbutyl)-2,5-dihydropyrimidin-2-one i	3.42	View
1594	1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione i	3.11	View
1595	2-benzyl-1-chloro-4,5-dihydro-1H-imidazole i	2.75	View
1596	3-[(2S)-1-methylpyrrolidin-2-yl]-1-{[({3-[(2R)-1-methylpyrrolidin-2-yl]pyridin-1-ium-1-yl}oxy)sulfonyl]oxy}pyridin-1-ium i	4.49	View
1597	2-hydroxybenzene-1-carboximidic acid i	3.13	View
1598	hexanal i	3.76	View
1599	4-phenoxybenzaldehyde i	4.63	View
1600	methanesulfinylmethane i	0.36	View
1601	3,4,6-trichloro-2-[(2,3,5-trichloro-6-hydroxyphenyl)methyl]phenol i	7.29	View
1602	1-(4-aminophenyl)propan-1-one i	3.01	View
1603	acetonitrile i	1.4	View
1604	2,2,2-trifluoroethan-1-ol i	2.92	View
1605	3,3-dimethylbutan-2-one i	3.06	View
1606	3-methylpentan-3-ol i	2.18	View
1607	(3S)-3-methylpent-1-yn-3-ol i	1.91	View
1608	1-ethynylcyclohexan-1-ol i	2.69	View
1609	(2S)-butan-2-ol i	1.31	View
1610	(2R)-1-aminopropan-2-ol i	1.47	View
1611	(3E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one i	4.58	View
1612	1,3-dichloro-2-(dichloromethyl)benzene i	5.38	View
1613	3-methyl-1H-indole i	4.17	View
1614	2-hydroxy-N-phenylbenzene-1-carboximidic acid i	4.73	View
1615	4-nitro-3-(trifluoromethyl)phenol i	4.36	View
1616	2-aminobenzene-1-carboximidic acid i	2.54	View
1617	2-hydroxybenzaldehyde i	4.73	View
1618	[1,1'-biphenyl]-2-ol i	4.44	View
1619	3,5-dibromo-2-hydroxybenzaldehyde i	5.52	View
1620	2-[ethyl(3-methylphenyl)amino]ethan-1-ol i	3.53	View
1621	1-phenylbutane-1,3-dione i	5.17	View
1622	(2Z,4E)-5-(2H-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)penta-2,4-dien-1-one i	4.56	View
1623	2,4-dihydroxybenzaldehyde i	4.02	View
1624	1-fluoro-2-methylbenzene i	3.75	View
1625	1,2-dichloro-4-methylbenzene i	4.74	View
1626	(2S)-2,3-dibromopropan-1-ol i	3.49	View
1627	(2R)-2-methylbutanal i	3.94	View
1628	2-[bis(propan-2-yl)amino]ethan-1-ol i	2.86	View
1629	2,4-dinitroaniline i	4.09	View
1630	1-(3-aminophenyl)ethan-1-one i	2.55	View
1631	N,N,4-trimethylaniline i	3.44	View
1632	4-(dimethylamino)benzaldehyde i	3.51	View
1633	2-(diethylamino)ethan-1-ol i	1.82	View
1634	phenylmethanamine i	3.02	View
1635	benzaldehyde i	4.03	View
1636	pyridine-2-carbonitrile i	2.16	View
1637	2-ethylpyridine i	2.41	View
1638	[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol i	0.9	View
1639	2-methyl-4-phenylbutan-2-ol i	3.39	View
1640	4-butylaniline i	4.17	View
1641	(2S)-2-ethylhexan-1-ol i	3.66	View
1642	5-ethyl-2-methylpyridine i	3.17	View
1643	1,4-dibutyl (2E)-but-2-enedioate i	5.56	View
1644	1-bromopropane i	3.26	View
1645	2-chloroethan-1-ol i	3.18	View
1646	propan-1-amine i	2.28	View
1647	2-chloroacetonitrile i	4.75	View
1648	(4S)-2-methylpentane-2,4-diol i	1.04	View
1649	2,4,4-trimethylpentan-2-amine i	3.72	View
1650	2-(tert-butylsulfanyl)-2-methylpropane i	3.7	View
1651	2-(propan-2-yloxy)propane i	2.11	View
1652	2-methylpyridine i	2.02	View
1653	1,3-dibromopropane i	4.99	View
1654	1-bromobutane i	3.57	View
1655	2-methoxyethan-1-amine i	2.16	View
1656	1H-pyrrole i	2.5	View
1657	5-methylhexan-2-one i	2.86	View
1658	1,4-dichlorobutane i	3.39	View
1659	pentanal i	3.82	View
1660	but-2-yne-1,4-diol i	3.21	View
1661	2-(ethylamino)ethan-1-ol i	1.78	View
1662	1,3,5-trioxane i	1.18	View
1663	6-methylhept-5-en-2-one i	3.17	View
1664	octan-2-one i	3.55	View
1665	1-bromohexane i	4.68	View
1666	hexan-1-amine i	3.25	View
1667	1-(propylsulfanyl)propane i	3.74	View
1668	heptan-1-amine i	3.72	View
1669	hexanedinitrile i	1.75	View
1670	1-bromooctane i	5.36	View
1671	octan-1-amine i	4.4	View
1672	undecan-2-one i	5.06	View
1673	nonan-1-amine i	4.82	View
1674	2,2,2-trichloroethan-1-ol i	2.7	View
1675	phenyl 2-hydroxybenzoate i	5.26	View
1676	2,4,6-tribromophenol i	4.7	View
1677	4-amino-2-nitrophenol i	3.63	View
1678	2-[(2-hydroxyethyl)(phenyl)amino]ethan-1-ol i	2.39	View
1679	4-(diethylamino)benzaldehyde i	3.87	View
1680	3-ethoxy-4-hydroxybenzaldehyde i	3.28	View
1681	4-hydroxy-3-methoxybenzaldehyde i	3.26	View
1682	1-chloro-3-nitrobenzene i	3.92	View
1683	2-chloro-4-nitroaniline i	3.93	View
1684	4-(propan-2-yl)benzaldehyde i	4.35	View
1685	2-phenoxyethan-1-ol i	2.6	View
1686	(2S)-2-methylpentanal i	3.73	View
1687	pentane-2,4-dione i	2.87	View
1688	dodecan-1-amine i	6.26	View
1689	(2S)-1-chloropropan-2-ol i	2.59	View
1690	(2R)-2-phenylbut-3-yn-2-ol i	3.11	View
1691	phenyl 4-amino-2-hydroxybenzoate i	4.68	View
1692	N,N-diethyl-3-methylbenzamide i	3.24	View
1693	(2R,6S)-2,6-dimethylmorpholine i	2.47	View
1694	1,3-dichloropropane i	3.01	View
1695	2-hydroxy-3-methoxybenzaldehyde i	4.8	View
1696	1,4-dimethoxybenzene i	3.07	View
1697	1-benzofuran i	3.92	View
1698	2,5-dinitrophenol i	4.74	View
1699	1-fluoro-4-(4-fluorophenoxy)benzene i	5.26	View
1700	1-fluoro-4-nitrobenzene i	3.7	View
1701	3-(trifluoromethyl)benzonitrile i	3.56	View
1702	4-fluoroaniline i	3.82	View
1703	2-chloro-6-fluorobenzaldehyde i	4.23	View
1704	4-fluoro-2-(trifluoromethyl)aniline i	3.78	View
1705	2-fluorobenzaldehyde i	4.96	View
1706	2-(trifluoromethyl)benzonitrile i	3.61	View
1707	3-(trifluoromethyl)benzaldehyde i	5.28	View
1708	4-fluoro-N-methylaniline i	3.51	View
1709	4,7,7-trimethyl-8-oxabicyclo[2.2.2]octane i	3.18	View
1710	2,3-dihydro-1-benzofuran i	3.17	View
1711	pyridine-3-carbaldehyde i	3.82	View
1712	nonan-5-one i	3.66	View
1713	2,3-dimethylbuta-1,3-diene i	4.08	View
1714	2-phenyl-4H-chromen-4-one i	4.8	View
1715	2-methylbenzonitrile i	3.42	View
1716	2-methylbenzaldehyde i	3.36	View
1717	pentylbenzene i	4.94	View
1718	tert-butyl acetate i	2.55	View
1719	1-(2-hydroxy-4-methoxyphenyl)ethan-1-one i	3.38	View
1720	2-nitrobenzaldehyde i	4.02	View
1721	2-nitrobenzaldehyde i	4.18	View
1722	3-methylbutan-2-one i	2	View
1723	2,6-dinitrophenol i	3.67	View
1724	1,2-dibromobenzene i	4.76	View
1725	N-(prop-2-en-1-yl)aniline i	3.57	View
1726	4-ethylaniline i	3.22	View
1727	3-methylbutanal i	4.42	View
1728	(2E,4E)-hexa-2,4-diene i	3.61	View
1729	tridecan-2-one i	5.74	View
1730	(2S)-3-methylbutan-2-amine i	2.49	View
1731	2,4-dimethylpentan-3-ol i	2.85	View
1732	N,N-diphenylformamide i	3.81	View
1733	pentabromophenol i	6.72	View
1734	2,4,6-triiodophenol i	5.59	View
1735	2,4-dimethoxybenzaldehyde i	3.92	View
1736	2-chloro-4-methylaniline i	3.6	View
1737	4-ethoxy-2-nitroaniline i	3.85	View
1738	1-nitro-4-phenoxybenzene i	4.91	View
1739	(phenylmethanesulfinylmethyl)benzene i	3.46	View
1740	2-(morpholin-4-yl)ethan-1-ol i	1.69	View
1741	2,5-dimethylfuran i	3.13	View
1742	1,5-dichloropentane i	3.75	View
1743	1-bromoheptane i	5.09	View
1744	1-(propyldisulfanyl)propane i	4.76	View
1745	4-propylphenol i	4.09	View
1746	2,3,4,5,6-pentafluorobenzaldehyde i	5.25	View
1747	2,2-dichloroethanimidic acid i	2.73	View
1748	(2S)-octan-2-amine i	4.4	View
1749	decan-2-one i	4.51	View
1750	1-(pentyloxy)pentane i	4.7	View
1751	4-methyl-1,3-oxazole i	1.78	View
1752	2-methyl-1H-imidazole i	2.46	View
1753	(5R)-5-hexyloxolan-2-one i	3.98	View
1754	2-hydroxy-4,6-dimethoxybenzaldehyde i	4.83	View
1755	N,N-dibutylformamide i	3.25	View
1756	but-2-yn-1-ol i	3.84	View
1757	adamantan-1-amine i	3.78	View
1758	2-hydroxy-4,6-dimethylpyridine-3-carbonitrile i	2.98	View
1759	2,3,4,5,6-pentafluoroaniline i	3.69	View
1760	(diphenylphosphoroso)benzene i	3.72	View
1761	(3R)-oct-1-yn-3-ol i	5.49	View
1762	nonan-2-one i	3.97	View
1763	(1R,2S)-1,2-dichlorocyclohexane i	3.92	View
1764	4-phenoxyphenol i	4.58	View
1765	2-hydroxyethyl 2-methylprop-2-enoate i	2.76	View
1766	3-bromothiophene i	4.42	View
1767	2,4-dichlorobenzaldehyde i	4.99	View
1768	(phenyldisulfanyl)benzene i	6.3	View
1769	(3S)-hexa-1,5-dien-3-ol i	3.41	View
1770	but-3-yn-1-ol i	3.29	View
1771	hex-3-en-1-ol i	2.42	View
1772	(3E)-hex-3-en-1-ol i	2.57	View
1773	1-(1-methyl-1H-pyrrol-2-yl)ethan-1-one i	2.9	View
1774	4-phenylpyridine i	3.98	View
1775	(benzenesulfinyl)benzene i	3.37	View
1776	5-bromo-1,2-dihydropyridin-2-imine i	2.99	View
1777	diethyl benzylphosphonate i	2.83	View
1778	1-(pyridin-4-yl)ethan-1-one i	2.86	View
1779	butoxybenzene i	4.42	View
1780	methyl 4-cyanobenzoate i	3.54	View
1781	(3S)-3,4-dimethylpent-1-yn-3-ol i	2.74	View
1782	3-phenoxyaniline i	4.31	View
1783	deca-1,9-diene i	5.68	View
1784	4-[(E)-2-phenyldiazen-1-yl]phenol i	5.23	View
1785	4-hydroxy-3,5-diiodobenzonitrile i	4.74	View
1786	2-(prop-2-en-1-yl)phenol i	3.95	View
1787	1-tert-butyl-4-ethenylbenzene i	5.52	View
1788	3,5-dichloro-4-hydroxybenzonitrile i	3.89	View
1789	1,4-dibutyl benzene-1,4-dicarboxylate i	5.67	View
1790	4-(4-hydroxyphenoxy)phenol i	4.54	View
1791	decan-1-amine i	5.18	View
1792	1-[4-(dimethylamino)-3-methylphenoxy]-N-methylmethanimidic acid i	5.03	View
1793	2,4,5-tribromo-1H-imidazole i	4.7	View
1794	(2S)-pent-4-yn-2-ol i	3.38	View
1795	pentachloropyridine i	5.73	View
1796	(1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexan-1-ol i	3.92	View
1797	1-(2,4-dichlorophenyl)ethan-1-one i	4.21	View
1798	nonanenitrile i	4.42	View
1799	4-fluoro-3-(trifluoromethyl)aniline i	3.78	View
1800	(1S,2S)-2-phenylcyclohexan-1-ol i	3.6	View
1801	2-ethoxyethyl 2-methylprop-2-enoate i	3.76	View
1802	2,3,6-trimethylphenol i	4.22	View
1803	dodecanenitrile i	5.63	View
1804	2-methoxybenzene-1-carboximidic acid i	3.1	View
1805	2,4-dichlorobenzene-1-carboximidic acid i	3.3	View
1806	[(2S)-oxolan-2-yl]methyl 2-methylprop-2-enoate i	3.69	View
1807	benzyl 2-methylprop-2-enoate i	4.58	View
1808	1-(4-tert-butylphenoxy)-N-methylmethanimidic acid i	4.32	View
1809	3-(pyridin-3-yl)propan-1-ol i	2.96	View
1810	tridecan-1-amine i	6.48	View
1811	2-(4-chlorobenzoyl)aniline i	5.04	View
1812	3-bromo-4-hydroxy-5-methoxybenzaldehyde i	3.59	View
1813	4,5-dichlorobenzene-1,2-diol i	5.3	View
1814	2,6-diphenylpyridine i	6.04	View
1815	(2R,3S)-2,3-dimethylpentanal i	3.85	View
1816	2-(propan-2-yldisulfanyl)propane i	4.26	View
1817	2,4,5-trimethoxybenzaldehyde i	3.6	View
1818	propan-2-yl 2-methylprop-2-enoate i	3.53	View
1819	(3R)-hex-1-en-3-ol i	3.52	View
1820	2,3,4,5-tetrachlorophenol i	5.75	View
1821	4-[2-(pyridin-4-yl)ethyl]pyridine i	3.09	View
1822	1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione i	1.65	View
1823	5-chloro-1,3-benzothiazole-2-thiol i	4.8	View
1824	1,2-bis(ethylsulfanyl)ethane i	3.4	View
1825	1-(4-chloro-3-nitrophenyl)ethan-1-one i	4.56	View
1826	4-chloro-6-methyl-1,2-dihydropyrimidin-2-imine i	3.01	View
1827	1,3-dimethoxy-2-methylbenzene i	3.88	View
1828	N,N-dimethylpyridin-2-amine i	2.98	View
1829	2,2-dimethylpropan-1-amine i	2.26	View
1830	2-amino-5-chlorobenzonitrile i	3.73	View
1831	1,1,1-trichloro-2-methylpropan-2-ol i	3.12	View
1832	dodecan-2-one i	5.19	View
1833	(2E)-3-[4-(dimethylamino)phenyl]prop-2-enal i	4.47	View
1834	1,3,5-trichloro-2,4-dinitrobenzene i	6.09	View
1835	2-chloro-5-nitrobenzaldehyde i	4.68	View
1836	2-bromopyridin-3-ol i	2.57	View
1837	2-chloropyridin-3-ol i	2.32	View
1838	tris(prop-2-yn-1-yl)amine i	2.65	View
1839	bis(2,2-diethoxyethyl)(methyl)amine i	2.62	View
1840	(3S,6Z)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol i	5.19	View
1841	1-(2-chloroethyl)pyrrolidine i	2.94	View
1842	undecan-1-amine i	5.91	View
1843	(3R)-hept-1-yn-3-ol i	4.8	View
1844	4-ethoxybenzaldehyde i	3.73	View
1845	(5-benzylfuran-3-yl)methyl (1S,3S)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxylate i	7.75	View
1846	1,2-bis(dibromomethyl)benzene i	5.99	View
1847	1-(2,3,4-trichlorophenyl)ethan-1-one i	5.05	View
1848	1-(2,3,4-trimethoxyphenyl)ethan-1-one i	3.02	View
1849	3-(4-bromobenzoyl)pyridine i	4.11	View
1850	4-benzoylpyridine i	3.25	View
1851	2,2,5,5-tetramethyloxolane i	2.88	View
1852	2-nitropyridin-3-ol i	2.92	View
1853	4-octylaniline i	6.23	View
1854	6-chloropyridin-2-ol i	2.78	View
1855	5,6-dimethyl-3,4-dihydro-1,2,4-triazin-3-imine i	2.12	View
1856	4-(diethylamino)-2-hydroxybenzaldehyde i	4.56	View
1857	(3S)-3,6-dimethylhept-1-yn-3-ol i	3.46	View
1858	trimethyl-1,3-oxazole i	2.39	View
1859	3-bromobenzene-1-carboximidic acid i	3.33	View
1860	2,6-bis(propan-2-yl)aniline i	4.06	View
1861	3,3,4,4-tetrafluoro-2-methylbutan-2-ol i	2.44	View
1862	1-(chloromethyl)-4-ethenylbenzene i	5.69	View
1863	(2R)-2-(bromomethyl)oxane i	2.94	View
1864	4-decylaniline i	6.58	View
1865	4-(hexyloxy)aniline i	4.81	View
1866	1,4-bis(ethylsulfanyl)butane i	4.47	View
1867	N-[2-(octyloxy)phenyl]ethanimidic acid i	5.77	View
1868	4-tert-butylbenzamide i	3.75	View
1869	(2S)-but-3-yn-2-ol i	3.78	View
1870	3-(4-tert-butylphenoxy)benzaldehyde i	5.84	View
1871	3-(3,4-dichlorophenoxy)benzaldehyde i	5.95	View

Bibliography

Russom, C. L.; Bradbury, S. P.; Broderius, S. J.; Drummond, R. A.; Hammermeister, D. E. Predicting modes of toxic action from chemical structure: Acute toxicity in the fathead minnow (Pimephales promelas). Environ. Toxicol. Chem. 1997, 16, 948–967. https://doi.org/10.1002/etc.5620160514

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10967/177 - QDB Compounds

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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.

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