Datasets:

maomlab
/

AttentiveSkin

@@ -1,480 +0,0 @@
-Name,Synonym,CAS RN,Y,Detailed Page,Evidence,OECD TG 404,Data Source,Frequency,SMILES,SMILES URL,SMILES Source,Canonical SMILES,Split
-"EU_REACH:
-(3R,4R)-3-aminooctan-4-ol; (3R,4S)-3-aminooctan-4-ol; (3S,4R)-3-aminooctan-4-ol; (3S,4S)-3-aminooctan-4-ol",,1001354-72-8,Cat 1,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/10826/7/4/2/?documentUUID=b03e03fd-0315-40cd-b7a7-4675fa6b6e25,"EU_REACH:
-Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CCCCC(O)C(N)CC,https://pubchem.ncbi.nlm.nih.gov/compound/55284966,PubChem,CCCCC(O)C(N)CC,Test
-"ChemSkin:
-Benzyl alcohol",,100-51-6,NC,ChemSkin: https://doi.org/10.3390/toxics9110314,"ChemSkin:
-Experimental study (OECD TG 404)",Provided,ChemSkin,1,OCc1ccccc1,https://pubchem.ncbi.nlm.nih.gov/compound/244,PubChem,OCc1ccccc1,Test
-"EU_REACH:
-4-(2-phenylpropan-2-yl)-N-[4-(2-phenylpropan-2-yl)phenyl]aniline",,10081-67-1,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/13882/7/4/2/?documentUUID=b12c4b0f-ec38-4481-8b65-202c331af8d8,"EU_REACH:
-Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CC(C)(c1ccccc1)c1ccc(Nc2ccc(C(C)(C)c3ccccc3)cc2)cc1,https://pubchem.ncbi.nlm.nih.gov/compound/82343,PubChem,CC(C)(c1ccccc1)c1ccc(Nc2ccc(C(C)(C)c3ccccc3)cc2)cc1,Test
-"ChemSkin:
-1-(4-Chlorophenyl)-3-(3,4-dichlorophenyl) urea",,101-20-2,NC,ChemSkin: https://doi.org/10.3390/toxics9110314,"ChemSkin:
-Experimental study (OECD TG 404)",Provided,ChemSkin,1,O=C(Nc1ccc(Cl)cc1)Nc1ccc(Cl)c(Cl)c1,https://pubchem.ncbi.nlm.nih.gov/compound/7547,PubChem,O=C(Nc1ccc(Cl)cc1)Nc1ccc(Cl)c(Cl)c1,Test
-"EU_CLP:
-3,5-dichloro-2,4-difluorobenzoyl fluoride",,101513-70-6,Cat 1,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,O=C(F)c1cc(Cl)c(F)c(Cl)c1F,https://pubchem.ncbi.nlm.nih.gov/compound/5463764,PubChem,O=C(F)c1cc(Cl)c(F)c(Cl)c1F,Test
-"EU_REACH:
-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-1-benzopyran-6-ol",,10191-41-0,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/11866/7/4/2/?documentUUID=54d457b2-88a6-434f-a92a-c8c95ee69e50,"EU_REACH:
-Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,Cc1c(C)c2c(c(C)c1O)CCC(C)(CCCC(C)CCCC(C)CCCC(C)C)O2,https://pubchem.ncbi.nlm.nih.gov/compound/2116,PubChem,Cc1c(C)c2c(c(C)c1O)CCC(C)(CCCC(C)CCCC(C)CCCC(C)C)O2,Test
-"EU_CLP:
-3-(bis(2-ethylhexyl)aminomethyl)benzothiazole-2(3H)-thione",,105254-85-1,Cat 1,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,CCCCC(CC)CN(CC(CC)CCCC)Cn1c(=S)sc2ccccc21,https://pubchem.ncbi.nlm.nih.gov/compound/176005,PubChem,CCCCC(CC)CN(CC(CC)CCCC)Cn1c(=S)sc2ccccc21,Test
-"EU_CLP:
-2-chloro-5-chloromethylthiazole",,105827-91-6,Cat 1,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,ClCc1cnc(Cl)s1,https://pubchem.ncbi.nlm.nih.gov/compound/2763179,PubChem,ClCc1cnc(Cl)s1,Test
-"EU_REACH:
-2-hydroxy-4'-hydroxyethoxy-2-methylpropiophenone",,106797-53-9,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/1581/7/4/2/?documentUUID=fa204906-e95f-42bb-9b78-085ea461eb80,"EU_REACH:
-Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CC(C)(O)C(=O)c1ccc(OCCO)cc1,https://pubchem.ncbi.nlm.nih.gov/compound/86266,PubChem,CC(C)(O)C(=O)c1ccc(OCCO)cc1,Test
-"EU_CLP:
-2,3-epoxypropyl methacrylate; glycidyl methacrylate",,106-91-2,Cat 1,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,C=C(C)C(=O)OCC1CO1,https://pubchem.ncbi.nlm.nih.gov/compound/7837,PubChem,C=C(C)C(=O)OCC1CO1,Test
-"EU_REACH:
-N-[11-(dichloromethylidene)tricyclo[6.2.1.0²,⁷]undeca-2,4,6-trien-3-yl]-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide",,1072957-71-1,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/11028/7/4/2/?documentUUID=f69725da-1cdd-4631-94dc-4e5bb7b31798,"EU_REACH:
-Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,Cn1cc(C(=O)Nc2cccc3c2C2CCC3C2=C(Cl)Cl)c(C(F)F)n1,https://pubchem.ncbi.nlm.nih.gov/compound/53491464,PubChem,Cn1cc(C(=O)Nc2cccc3c2C2CCC3C2=C(Cl)Cl)c(C(F)F)n1,Test
-"ChemSkin:
-Hydroxycitronellal",,107-75-5,NC,ChemSkin: https://doi.org/10.3390/toxics9110314,"ChemSkin:
-Experimental study (OECD TG 404)",Provided,ChemSkin,1,CC(CC=O)CCCC(C)(C)O,https://pubchem.ncbi.nlm.nih.gov/compound/7888,PubChem,CC(CC=O)CCCC(C)(C)O,Test
-"EU_CLP:
-succinic anhydride",,108-30-5,Cat 1,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,O=C1CCC(=O)O1,https://pubchem.ncbi.nlm.nih.gov/compound/7922,PubChem,O=C1CCC(=O)O1,Test
-"EU_REACH:
-1,4,5,8-tetrakis[(4-butylphenyl)amino]-9,10-dihydroanthracene-9,10-dione",,108313-21-9,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/30120/7/4/2/?documentUUID=b23202ed-0739-4568-8f45-7067c52ae660,"EU_REACH:
-Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CCCCc1ccc(Nc2ccc(Nc3ccc(CCCC)cc3)c3c2C(=O)c2c(Nc4ccc(CCCC)cc4)ccc(Nc4ccc(CCCC)cc4)c2C3=O)cc1,https://pubchem.ncbi.nlm.nih.gov/compound/15918419,PubChem,CCCCc1ccc(Nc2ccc(Nc3ccc(CCCC)cc3)c3c2C(=O)c2c(Nc4ccc(CCCC)cc4)ccc(Nc4ccc(CCCC)cc4)c2C3=O)cc1,Test
-"EU_REACH:
-N,N,N',N'-tetramethyltrimethylenediamine",,110-95-2,Cat 1,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/5408/7/4/2/?documentUUID=cea8a7fd-d9ff-4c30-97f6-e89ccafc62d6,"EU_REACH:
-Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CN(C)CCCN(C)C,https://pubchem.ncbi.nlm.nih.gov/compound/8084,PubChem,CN(C)CCCN(C)C,Test
-"ChemSkin:
-3,3′-Dithiodipropionic acid",,1119-62-6,NC,ChemSkin: https://doi.org/10.3390/toxics9110314,"ChemSkin:
-Experimental study (OECD TG 404)",Provided,ChemSkin,1,O=C(O)CCSSCCC(=O)O,https://pubchem.ncbi.nlm.nih.gov/compound/95116,PubChem,O=C(O)CCSSCCC(=O)O,Test
-"ChemSkin:
-Triethylene glycol",,112-27-6,NC,ChemSkin: https://doi.org/10.3390/toxics9110314,"ChemSkin:
-Experimental study (OECD TG 404)",Provided,ChemSkin,1,OCCOCCOCCO,https://pubchem.ncbi.nlm.nih.gov/compound/8172,PubChem,OCCOCCOCCO,Test
-"ChemSkin:
-Methyl stearate #",,112-61-8,NC,ChemSkin: https://doi.org/10.3390/toxics9110314,"ChemSkin:
-Experimental study (OECD TG 404)",Provided,ChemSkin,1,CCCCCCCCCCCCCCCCCC(=O)OC,https://pubchem.ncbi.nlm.nih.gov/compound/8201,PubChem,CCCCCCCCCCCCCCCCCC(=O)OC,Test
-"EU_REACH:
-3,3-dimethoxy-8,8,9,9-tetramethyl-2-oxa-7-thia-3,8-disiladecane",,1128026-41-4,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/1923/7/4/2/?documentUUID=c629abdf-5a6e-4694-8773-e687fdcd930f,"EU_REACH:
-Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CO[Si](CCCS[Si](C)(C)C(C)(C)C)(OC)OC,https://pubchem.ncbi.nlm.nih.gov/compound/89888895,PubChem,CO[Si](CCCS[Si](C)(C)C(C)(C)C)(OC)OC,Test
-"ChemSkin:
-Erucamide",,112-84-5,NC,ChemSkin: https://doi.org/10.3390/toxics9110314,"ChemSkin:
-Experimental study (OECD TG 404)",Provided,ChemSkin,1,CCCCCCCC/C=C\CCCCCCCCCCCC(N)=O,https://pubchem.ncbi.nlm.nih.gov/compound/5365371,PubChem,CCCCCCCC/C=C\CCCCCCCCCCCC(N)=O,Test
-"EU_CLP:
-1,1-diisopropoxycyclohexane",,1132-95-2,Cat 1,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,CC(C)OC1(OC(C)C)CCCCC1,https://pubchem.ncbi.nlm.nih.gov/compound/11745673,PubChem,CC(C)OC1(OC(C)C)CCCCC1,Test
-"EU_REACH:
-methyl (3E)-1-(2-chloroacetyl)-3-[methoxy(phenyl)methylidene]-2-oxo-2,3-dihydro-1H-indole-6-carboxylate",,1174335-83-1,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/26473/7/4/2/?documentUUID=3d05fb27-909c-4bd2-ae30-cbf16acf2100,"EU_REACH:
-Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,COC(=O)c1ccc2c(c1)N(C(=O)CCl)C(=O)/C2=C(/OC)c1ccccc1,https://pubchem.ncbi.nlm.nih.gov/compound/42634135,PubChem,COC(=O)c1ccc2c(c1)N(C(=O)CCl)C(=O)/C2=C(/OC)c1ccccc1,Test
-"ChemSkin:
-Benzyl salicylate",,118-58-1,NC,ChemSkin: https://doi.org/10.3390/toxics9110314,"ChemSkin:
-Experimental study (OECD TG 404)",Provided,ChemSkin,1,O=C(OCc1ccccc1)c1ccccc1O,https://pubchem.ncbi.nlm.nih.gov/compound/8363,PubChem,O=C(OCc1ccccc1)c1ccccc1O,Test
-"ChemSkin:
-4,4′-Methylenebis(2,6-di-tert-butylphenol)",,118-82-1,NC,ChemSkin: https://doi.org/10.3390/toxics9110314,"ChemSkin:
-Experimental study (OECD TG 404)",Provided,ChemSkin,1,CC(C)(C)c1cc(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O,https://pubchem.ncbi.nlm.nih.gov/compound/8372,PubChem,CC(C)(C)c1cc(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O,Test
-"EU_CLP:
-2-(2-amino-1,3-thiazol-4-yl)-(Z)-2-methoxyiminoacetyl chloride hydrochloride",,119154-86-8,Cat 1,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,CO/N=C(\C=O)c1csc(N)n1,https://pubchem.ncbi.nlm.nih.gov/compound/22395241,PubChem,CO/N=C(\C=O)c1csc(N)n1,Test
-"EU_REACH:
-(1S,2S,4R,6S,8S,11R,12S,14S,15R,16S)-2,16-dimethyl-14-(pyrrolidin-1-yl)-5-oxapentacyclo[9.7.0.0²,⁸.0⁴,⁶.0¹²,¹⁶]octadecan-15-ol",,119302-19-1,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/7297/7/4/2/?documentUUID=b8bce7e8-1efd-4a37-9adf-60ea68834fe5,"EU_REACH:
-Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,C[C@]12C[C@H]3O[C@H]3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)[C@@H](N3CCCC3)C[C@@H]12,https://pubchem.ncbi.nlm.nih.gov/compound/16063872,PubChem,C[C@]12C[C@H]3O[C@H]3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)[C@@H](N3CCCC3)C[C@@H]12,Test
-"EU_REACH:
-Androstan-3,17-diol,2-(4-morpholinyl)-16-(1-pyrrolidinyl)-, 17-acetate (2α,3α,5α,16α,17β)-",,119302-24-8,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/7706/7/4/2/?documentUUID=885293ad-c1ee-4e43-84d9-69ac9eda760f,"EU_REACH:
-Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CC(=O)O[C@H]1[C@@H](N2CCCC2)C[C@H]2[C@@H]3CC[C@H]4C[C@H](O)[C@@H](N5CCOCC5)C[C@]4(C)[C@H]3CC[C@@]21C,https://pubchem.ncbi.nlm.nih.gov/compound/16064933,PubChem,CC(=O)O[C@H]1[C@@H](N2CCCC2)C[C@H]2[C@@H]3CC[C@H]4C[C@H](O)[C@@H](N5CCOCC5)C[C@]4(C)[C@H]3CC[C@@]21C,Test
-"EU_REACH:
-2,4-bis(2-methylbutan-2-yl)phenol",,120-95-6,Cat 1,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/17246/7/4/2/?documentUUID=6342992c-8ca5-4e1c-91c8-4f2743f2135d,"EU_REACH:
-Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CCC(C)(C)c1ccc(O)c(C(C)(C)CC)c1,https://pubchem.ncbi.nlm.nih.gov/compound/8455,PubChem,CCC(C)(C)c1ccc(O)c(C(C)(C)CC)c1,Test
-"ChemSkin:
-1-Chloro-3-nitrobenzene (3-chloronitrobenzene)",,121-73-3,NC,ChemSkin: https://doi.org/10.3390/toxics9110314,"ChemSkin:
-Experimental study (OECD TG 404)",Provided,ChemSkin,1,O=[N+]([O-])c1cccc(Cl)c1,https://pubchem.ncbi.nlm.nih.gov/compound/8489,PubChem,O=[N+]([O-])c1cccc(Cl)c1,Test
-"EU_REACH:
-1-(4-chlorophenyl)-2-cyclopropylpropan-1-ol",,123989-28-6,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/19446/7/4/2/?documentUUID=9fe4d492-314a-4b3c-b563-52fa4a24e2ed,"EU_REACH:
-Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CC(C1CC1)C(O)c1ccc(Cl)cc1,https://pubchem.ncbi.nlm.nih.gov/compound/19078385,PubChem,CC(C1CC1)C(O)c1ccc(Cl)cc1,Test
-"ChemSkin:
-Octanoic acid (caprylic acid)
-EU_CLP:
-octanoic acid",,124-07-2,Cat 1,"ChemSkin: https://doi.org/10.3390/toxics9110314
-EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,Provided,"ChemSkin, EU_CLP",2,CCCCCCCC(=O)O,https://pubchem.ncbi.nlm.nih.gov/compound/379,PubChem,CCCCCCCC(=O)O,Test
-"EU_REACH:
-2,4,7,9-tetramethyldec-5-yne-4,7-diol",,126-86-3,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/14379/7/4/2/?documentUUID=8469e4bb-f4da-4b6d-b017-2ec48c67afec,"EU_REACH:
-Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CC(C)CC(C)(O)C#CC(C)(O)CC(C)C,https://pubchem.ncbi.nlm.nih.gov/compound/31362,PubChem,CC(C)CC(C)(O)C#CC(C)(O)CC(C)C,Test
-"EU_REACH:
-[[4-[[4-(anilino)phenyl][4-(phenylimino)-2,5-cyclohexadien-1-ylidene]methyl]phenyl]amino]benzenesulphonic acid",,1324-76-1,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/5364/7/4/2/?documentUUID=4bf44719-5090-4d63-a5f5-9ad1bcb13f63,"EU_REACH:
-Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,O=S(=O)(O)c1ccccc1N=C1C=CC(=C(c2ccc(Nc3ccccc3)cc2)c2ccc(Nc3ccccc3)cc2)C=C1,https://cactus.nci.nih.gov/chemical/structure/1324-76-1/smiles,CACTUS,O=S(=O)(O)c1ccccc1N=C1C=CC(=C(c2ccc(Nc3ccccc3)cc2)c2ccc(Nc3ccccc3)cc2)C=C1,Test
-"EU_CLP:
-(+)-(1S,2S,3S,5R)-2,6,6-trimethylbicyclo[3.1.1]heptane-3-spiro-1'-(cyclohex-2'-en-4'-one)",,133636-82-5,Cat 1,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,C[C@H]1[C@@H]2C[C@H](C[C@@]13C=CC(=O)CC3)C2(C)C,https://pubchem.ncbi.nlm.nih.gov/compound/117859414,PubChem,C[C@H]1[C@@H]2C[C@H](C[C@@]13C=CC(=O)CC3)C2(C)C,Test
-"EU_CLP:
-4,4'-methylenebis(N,N'-dimethylcyclohexanamine",,13474-64-1,Cat 1,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,CN(C)C1CCC(CC2CCC(N(C)C)CC2)CC1,https://pubchem.ncbi.nlm.nih.gov/compound/13387427,PubChem,CN(C)C1CCC(CC2CCC(N(C)C)CC2)CC1,Test
-"EU_CLP:
-2-butyl-2-ethyl-1,5-diaminopentane",,137605-95-9,Cat 1,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,CCCCC(CC)(CN)CCCN,https://pubchem.ncbi.nlm.nih.gov/compound/4983344,PubChem,CCCCC(CC)(CN)CCCN,Test
-"EU_CLP:
-4-ethyl-2-methyl-2-isopentyl-1,3-oxazolidine",,137796-06-6,Cat 1,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,CCC1COC(C)(CCC(C)C)N1,https://pubchem.ncbi.nlm.nih.gov/compound/5105001,PubChem,CCC1COC(C)(CCC(C)C)N1,Test
-"EU_REACH:
-(7-methoxynaphthalen-1-yl)acetonitrile",,138113-08-3,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/1437/7/4/2/?documentUUID=2e1fa2e0-e22a-4efa-81ad-c6493aa4c9cf,"EU_REACH:
-Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,COc1ccc2cccc(CC#N)c2c1,https://pubchem.ncbi.nlm.nih.gov/compound/11264068,PubChem,COc1ccc2cccc(CC#N)c2c1,Test
-"EU_REACH:
-9-[(3,3',5,5'-tetra-tert-butyl-2'-{8,10-dioxa-9-phosphatricyclo[9.4.0.0^{2,7}]pentadeca-1(11),2(7),3,5,12,14-hexaen-9-yloxy}-[1,1'-biphenyl]-2-yl)oxy]-8,10-dioxa-9-phosphatricyclo[9.4.0.0^{2,7}]pentadeca-1(11),2,4,6,12,14-hexaene",,138776-88-2,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/17031/7/4/2/?documentUUID=c82a15b6-5fd9-4d8c-85f3-4b78ea53b406,"EU_REACH:
-Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CC(C)(C)c1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2Op2oc3ccccc3c3ccccc3o2)c(Op2oc3ccccc3c3ccccc3o2)c(C(C)(C)C)c1,https://pubchem.ncbi.nlm.nih.gov/compound/10963933,PubChem,CC(C)(C)c1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2Op2oc3ccccc3c3ccccc3o2)c(Op2oc3ccccc3c3ccccc3o2)c(C(C)(C)C)c1,Test
-"EU_REACH:
-1-[(2-tert-butylcyclohexyl)oxy]butan-2-ol",,139504-68-0,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/11273/7/4/2/?documentUUID=182cf78a-9f8e-4399-b008-477a2b01fda6,"EU_REACH:
-Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CCC(O)COC1CCCCC1C(C)(C)C,https://pubchem.ncbi.nlm.nih.gov/compound/164422,PubChem,CCC(O)COC1CCCCC1C(C)(C)C,Test
-"EU_REACH:
-1,6-bis(2-butoxyethyl) hexanedioate",,141-18-4,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/10353/7/4/2/?documentUUID=abb3b5ac-b8f9-4116-a3dd-cdc593505330,"EU_REACH:
-Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CCCCOCCOC(=O)CCCCC(=O)OCCOCCCC,https://pubchem.ncbi.nlm.nih.gov/compound/8837,PubChem,CCCCOCCOC(=O)CCCCC(=O)OCCOCCCC,Test
-"EU_REACH:
-2-chloro-3-isothiocyanatoprop-1-ene",,14214-31-4,Cat 1,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/1088/7/4/2/?documentUUID=0533af7b-0f54-430d-9c04-6bfe0396e723,"EU_REACH:
-Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,C=C(Cl)CN=C=S,https://pubchem.ncbi.nlm.nih.gov/compound/26575,PubChem,C=C(Cl)CN=C=S,Test
-"EU_REACH:
-N-(1-oxooctyl)glycine",,14246-53-8,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/11322/7/4/2/?documentUUID=d6fae830-5174-4b16-9cdd-c04ccf1cc63d,"EU_REACH:
-Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CCCCCCCC(=O)NCC(=O)O,https://pubchem.ncbi.nlm.nih.gov/compound/84290,PubChem,CCCCCCCC(=O)NCC(=O)O,Test
-"EU_REACH:
-(2R,3S,4S)-2,3,4-tris(benzyloxy)-4-[(4R)-4-[(benzyloxy)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-(4-methylpiperazin-1-yl)butan-1-one",,1431329-07-5,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/11399/7/4/2/?documentUUID=b40aa173-c193-4d70-87e4-f3de70865226,"EU_REACH:
-Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CN1CCN(C(=O)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@]2(COCc3ccccc3)COC(C)(C)O2)CC1,https://pubchem.ncbi.nlm.nih.gov/compound/126582620,PubChem,CN1CCN(C(=O)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@]2(COCc3ccccc3)COC(C)(C)O2)CC1,Test
-"EU_REACH:
-4,6-dichloro-5-nitro-2-(propylsulfanyl)pyrimidine",,145783-14-8,Cat 1,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/5571/7/4/2/?documentUUID=3bdb52d4-39f7-4e66-9c5a-0cb30ee63104,"EU_REACH:
-Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CCCSc1nc(Cl)c([N+](=O)[O-])c(Cl)n1,https://pubchem.ncbi.nlm.nih.gov/compound/22268924,PubChem,CCCSc1nc(Cl)c([N+](=O)[O-])c(Cl)n1,Test
-"EU_CLP:
-isobutylidene-(2-(2-isopropyl-4,4-dimethyloxazolidine-3-yl)-1,1-dimethylethyl)amine",,148348-13-4,Cat 1,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,CC(C)C=NC(C)(C)CN1C(C(C)C)OCC1(C)C,https://pubchem.ncbi.nlm.nih.gov/compound/3892206,PubChem,CC(C)C=NC(C)(C)CN1C(C(C)C)OCC1(C)C,Test
-"EU_REACH:
-13-DOCOSENAMIDE, N-[3-(DIMETHYLAMINO)PROPYL]-, (13Z)-",,149968-48-9,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/12095/7/4/2/?documentUUID=5ed07350-0026-46f1-818e-50b4f2c93d24,"EU_REACH:
-Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CCCCCCCC/C=C\CCCCCCCCCCCC(=O)NCCCN(C)C,https://pubchem.ncbi.nlm.nih.gov/compound/87989022,PubChem,CCCCCCCC/C=C\CCCCCCCCCCCC(=O)NCCCN(C)C,Test
-"EU_CLP:
-(4aS-cis-)-6-benzyl-octahydropyrrolo[3.4-b]pyridine",,151213-39-7,Cat 1,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,c1ccc(CN2C[C@@H]3CCCN[C@@H]3C2)cc1,https://pubchem.ncbi.nlm.nih.gov/compound/10198297,PubChem,c1ccc(CN2C[C@@H]3CCCN[C@@H]3C2)cc1,Test
-"EU_REACH:
-methyl 2-(4-bromophenyl)-2-methylpropanoate",,154825-97-5,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/17257/7/4/2/?documentUUID=c6648981-16fc-4278-9771-2ad5e9b18bc3,"EU_REACH:
-Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,COC(=O)C(C)(C)c1ccc(Br)cc1,https://pubchem.ncbi.nlm.nih.gov/compound/3651431,PubChem,COC(=O)C(C)(C)c1ccc(Br)cc1,Test
-"EU_REACH:
-(4E,9E)-7-ethenyl-2,4,10,12-tetramethyl-7-{[(E)-(4-methylpentan-2-ylidene)amino]oxy}-6,8-dioxa-5,9-diaza-7-silatrideca-4,9-diene; (4Z,9E)-7-ethenyl-2,4,10,12-tetramethyl-7-{[(E)-(4-methylpentan-2-ylidene)amino]oxy}-6,8-dioxa-5,9-diaza-7-silatrideca-4,9-diene; (4Z,9Z)-7-ethenyl-2,4,10,12-tetramethyl-7-{[(E)-(4-methylpentan-2-ylidene)amino]oxy}-6,8-dioxa-5,9-diaza-7-silatrideca-4,9-diene; (4Z,9Z)-7-ethenyl-2,4,10,12-tetramethyl-7-{[(Z)-(4-methylpentan-2-ylidene)amino]oxy}-6,8-dioxa-5,9-diaza-7-silatrideca-4,9-diene",,156145-64-1,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/16578/7/4/2/?documentUUID=29de4d5f-3585-4aa3-89e0-44decacc3e32,"EU_REACH:
-Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,C=C[Si](O/N=C(\C)CC(C)C)(O/N=C(\C)CC(C)C)O/N=C(\C)CC(C)C,https://pubchem.ncbi.nlm.nih.gov/compound/15219159,PubChem,C=C[Si](O/N=C(\C)CC(C)C)(O/N=C(\C)CC(C)C)O/N=C(\C)CC(C)C,Test
-"EU_CLP:
-1-bromo-2-methylpropyl propionate",,158894-67-8,Cat 1,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,CCC(=O)OC(Br)C(C)C,https://pubchem.ncbi.nlm.nih.gov/compound/19094335,PubChem,CCC(=O)OC(Br)C(C)C,Test
-"EU_REACH:
-(1S,2S,4R,6S,8S,11R,12S,14S,16S)-2,16-dimethyl-14-(pyrrolidin-1-yl)-5-oxapentacyclo[9.7.0.0²,⁸.0⁴,⁶.0¹²,¹⁶]octadecan-15-one",,159325-45-8,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/7280/7/4/2/?documentUUID=8beba8d8-85bf-4c36-8e04-582ea6c9baa7,"EU_REACH:
-Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,C[C@]12C[C@H]3O[C@H]3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)[C@@H](N3CCCC3)C[C@@H]12,https://pubchem.ncbi.nlm.nih.gov/compound/16063837,PubChem,C[C@]12C[C@H]3O[C@H]3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)[C@@H](N3CCCC3)C[C@@H]12,Test
-"EU_CLP:
-dodemorph (ISO); 4-cyclododecyl-2,6-dimethylmorpholine",,1593-77-7,Cat 1,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,CC1CN(C2CCCCCCCCCCC2)CC(C)O1,https://pubchem.ncbi.nlm.nih.gov/compound/61899,PubChem,CC1CN(C2CCCCCCCCCCC2)CC(C)O1,Test
-"EU_CLP:
-1-(mercaptomethyl)cyclopropylacetic acid",,162515-68-6,Cat 1,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,O=C(O)CC1(CS)CC1,https://pubchem.ncbi.nlm.nih.gov/compound/9793825,PubChem,O=C(O)CC1(CS)CC1,Test
-"EU_CLP:
-(1-hydroxydodecylidene)diphosphonic acid",,16610-63-2,Cat 1,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,CCCCCCCCCCCC(O)(P(=O)(O)O)P(=O)(O)O,https://pubchem.ncbi.nlm.nih.gov/compound/4395717,PubChem,CCCCCCCCCCCC(O)(P(=O)(O)O)P(=O)(O)O,Test
-"EU_CLP:
-[3-(chlorocarbonyl)-2-methylphenyl]acetate",,167678-46-8,Cat 1,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,CC(=O)Oc1cccc(C(=O)Cl)c1C,https://pubchem.ncbi.nlm.nih.gov/compound/7010345,PubChem,CC(=O)Oc1cccc(C(=O)Cl)c1C,Test
-"EU_REACH:
-1,3-dimethyl 2-[2-(2-amino-6-chloro-9H-purin-9-yl)ethyl]propanedioate",,172529-93-0,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/6816/7/4/2/?documentUUID=f546f617-7201-4855-b3c7-600f7f4b724b,"EU_REACH:
-Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,COC(=O)C(CCn1cnc2c(Cl)nc(N)nc21)C(=O)OC,https://pubchem.ncbi.nlm.nih.gov/compound/9949313,PubChem,COC(=O)C(CCn1cnc2c(Cl)nc(N)nc21)C(=O)OC,Test
-"EU_REACH:
-prop-2-en-1-yl 2-(2-chloro-5-nitrobenzoyloxy)-2-methylpropanoate",,174489-76-0,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/6005/7/4/2/?documentUUID=7e8d8941-f84f-424f-a6af-069713732699,"EU_REACH:
-Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,C=CCOC(=O)C(C)(C)OC(=O)c1cc([N+](=O)[O-])ccc1Cl,https://pubchem.ncbi.nlm.nih.gov/compound/11782392,PubChem,C=CCOC(=O)C(C)(C)OC(=O)c1cc([N+](=O)[O-])ccc1Cl,Test
-"EU_REACH:
-2-hydroxy-4-(methylsulfanyl)butanenitrile",,17773-41-0,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/10238/7/4/2/?documentUUID=214ac58e-4e8a-4cf5-ad08-a9d2d1560dbe,"EU_REACH:
-Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CSCCC(O)C#N,https://pubchem.ncbi.nlm.nih.gov/compound/87302,PubChem,CSCCC(O)C#N,Test
-"EU_REACH:
-(2,4-dichlorophenyl)methanol",,1777-82-8,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/23988/7/4/2/?documentUUID=e7b4ba2b-332d-4986-ad52-6c3afd4e88a9,"EU_REACH:
-Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,OCc1ccc(Cl)cc1Cl,https://pubchem.ncbi.nlm.nih.gov/compound/15684,PubChem,OCc1ccc(Cl)cc1Cl,Test
-"EU_CLP:
-1-(3-methoxypropyl)-4-piperidinamine",,179474-79-4,Cat 1,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,COCCCN1CCC(N)CC1,https://pubchem.ncbi.nlm.nih.gov/compound/12088093,PubChem,COCCCN1CCC(N)CC1,Test
-"EU_CLP:
-6-dimethylaminohexan-1-ol",,1862-07-3,Cat 1,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,CN(C)CCCCCCO,https://pubchem.ncbi.nlm.nih.gov/compound/74623,PubChem,CN(C)CCCCCCO,Test
-"EU_CLP:
-3-methylaminomethylphenylamine",,18759-96-1,Cat 1,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,CNCc1cccc(N)c1,https://pubchem.ncbi.nlm.nih.gov/compound/11643936,PubChem,CNCc1cccc(N)c1,Test
-"EU_REACH:
-hex-3-en-1-yl cyclopropanecarboxylate",,188570-78-7,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/9542/7/4/2/?documentUUID=dec687cc-0187-4e71-ba19-77e80f25cff9,"EU_REACH:
-Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CC/C=C\CCOC(=O)C1CC1,https://pubchem.ncbi.nlm.nih.gov/compound/44152604,PubChem,CC/C=C\CCOC(=O)C1CC1,Test
-"EU_CLP:
-4,4-dimethoxybutylamine",,19060-15-2,Cat 1,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,COC(CCCN)OC,https://pubchem.ncbi.nlm.nih.gov/compound/5463803,PubChem,COC(CCCN)OC,Test
-"EU_CLP:
-2-phenylethylisocyanate",,1943-82-4,Cat 1,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,O=C=NCCc1ccccc1,https://pubchem.ncbi.nlm.nih.gov/compound/160602,PubChem,O=C=NCCc1ccccc1,Test
-"EU_CLP:
-1-methyltrimethylene diacrylate; 1,3-butylene glycol diacrylate",,19485-03-1,Cat 1,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,C=CC(=O)OCCC(C)OC(=O)C=C,https://pubchem.ncbi.nlm.nih.gov/compound/29635,PubChem,C=CC(=O)OCCC(C)OC(=O)C=C,Test
-"EU_CLP:
-2,2-dichloro-1,3-benzodioxol",,2032-75-9,Cat 1,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,ClC1(Cl)Oc2ccccc2O1,https://pubchem.ncbi.nlm.nih.gov/compound/11041568,PubChem,ClC1(Cl)Oc2ccccc2O1,Test
-"EU_CLP:
-2-chloro-6-fluoro-phenol",,2040-90-6,Cat 1,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,Oc1c(F)cccc1Cl,https://pubchem.ncbi.nlm.nih.gov/compound/2773710,PubChem,Oc1c(F)cccc1Cl,Test
-"EU_REACH:
-prop-2-en-1-yl 2-(2-chloro-5-isocyanatobenzoyloxy)-2-methylpropanoate",,204918-22-9,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/8166/7/4/2/?documentUUID=1dc69cbc-5fb5-4ed7-b653-f61127343230,"EU_REACH:
-Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,C=CCOC(=O)C(C)(C)OC(=O)c1cc(N=C=O)ccc1Cl,https://pubchem.ncbi.nlm.nih.gov/compound/10936216,PubChem,C=CCOC(=O)C(C)(C)OC(=O)c1cc(N=C=O)ccc1Cl,Test
-"EU_REACH:
-2-bromo-2-methylpropanoyl bromide",,20769-85-1,Cat 1,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/13206/7/4/2/?documentUUID=50df84dd-6c27-484a-9eab-8ba4aeeb87f4,"EU_REACH:
-Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CC(C)(Br)C(=O)Br,https://pubchem.ncbi.nlm.nih.gov/compound/88685,PubChem,CC(C)(Br)C(=O)Br,Test
-"EU_REACH:
-N,N-bis[(oxiran-2-yl)methyl]aniline",,2095-06-9,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/26718/7/4/2/?documentUUID=9579e671-848f-4614-9ed1-1bf4ac575439,"EU_REACH:
-Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,c1ccc(N(CC2CO2)CC2CO2)cc1,https://pubchem.ncbi.nlm.nih.gov/compound/16412,PubChem,c1ccc(N(CC2CO2)CC2CO2)cc1,Test
-"ChemSkin:
-Capryl-isostearate",,209802-43-7,NC,ChemSkin: https://doi.org/10.3390/toxics9110314,"ChemSkin:
-Experimental study (OECD TG 404)",Provided,ChemSkin,1,CCCCCCC(C)OC(=O)CCCCCCCCCCCCCCC(C)C,https://pubchem.ncbi.nlm.nih.gov/compound/86200975,PubChem,CCCCCCC(C)OC(=O)CCCCCCCCCCCCCCC(C)C,Test
-"EU_REACH:
-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl 2-methylprop-2-enoate",,2144-53-8,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/14308/7/4/2/?documentUUID=7de41c5c-9f3a-4ddc-9fc8-1f3261ed91b3,"EU_REACH:
-Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,C=C(C)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,https://pubchem.ncbi.nlm.nih.gov/compound/75066,PubChem,C=C(C)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,Test
-"EU_CLP:
-4,4,5,5-tetrachloro-1,3-dioxolan-2-one",,22432-68-4,Cat 1,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,O=C1OC(Cl)(Cl)C(Cl)(Cl)O1,https://pubchem.ncbi.nlm.nih.gov/compound/2724978,PubChem,O=C1OC(Cl)(Cl)C(Cl)(Cl)O1,Test
-"EU_CLP:
-hydroxyphosphonoacetic acid",,23783-26-8,Cat 1,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,O=C(O)C(O)P(=O)(O)O,https://cactus.nci.nih.gov/chemical/structure/23783-26-8/smiles,CACTUS,O=C(O)C(O)P(=O)(O)O,Test
-"EU_CLP:
-2-bromo-2-nitropropanol",,24403-04-1,Cat 1,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,CC(Br)(CO)[N+](=O)[O-],https://pubchem.ncbi.nlm.nih.gov/compound/205966,PubChem,CC(Br)(CO)[N+](=O)[O-],Test
-"EU_REACH:
-(6R,7R)-7-amino-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid",,24701-69-7,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/2446/7/4/2/?documentUUID=5d5d9d52-5e8a-4d05-b9bf-1d3b540b9e51,"EU_REACH:
-Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,COCC1=C(C(=O)O)N2C(=O)[C@@H](N)[C@H]2SC1,https://pubchem.ncbi.nlm.nih.gov/compound/9816277,PubChem,COCC1=C(C(=O)O)N2C(=O)[C@@H](N)[C@H]2SC1,Test
-"ChemSkin:
-Dipropylene glycol",,25265-71-8,NC,ChemSkin: https://doi.org/10.3390/toxics9110314,"ChemSkin:
-Experimental study (OECD TG 404)",Provided,ChemSkin,1,CCC(O)OC(O)CC,https://cactus.nci.nih.gov/chemical/structure/25265-71-8/smiles,CACTUS,CCC(O)OC(O)CC,Test
-"EU_REACH:
-heptanoyl chloride",,2528-61-2,Cat 1,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/13180/7/4/2/?documentUUID=265eb042-f695-4789-8905-622c1ba307c9,"EU_REACH:
-Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CCCCCCC(=O)Cl,https://pubchem.ncbi.nlm.nih.gov/compound/17313,PubChem,CCCCCCC(=O)Cl,Test
-"ChemSkin:
-Cyclohexadecanone",,2550-52-9,NC,ChemSkin: https://doi.org/10.3390/toxics9110314,"ChemSkin:
-Experimental study (OECD TG 404)",Provided,ChemSkin,1,O=C1CCCCCCCCCCCCCCC1,https://pubchem.ncbi.nlm.nih.gov/compound/75695,PubChem,O=C1CCCCCCCCCCCCCCC1,Test
-"EU_REACH:
-2,2,4-trimethylhexane-1,6-diamine; 2,4,4-trimethylhexane-1,6-diamine",,25513-64-8,Cat 1,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/21905/7/4/2/?documentUUID=85f760b6-eba2-4fa7-8cd0-e1ede5b1fc0b,"EU_REACH:
-Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CC(CCN)CC(C)(C)CN,https://cactus.nci.nih.gov/chemical/structure/25513-64-8/smiles,CACTUS,CC(CCN)CC(C)(C)CN,Test
-"EU_REACH:
-1-(butoxymethoxy)butane",,2568-90-3,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/11620/7/4/2/?documentUUID=30f29525-342f-49f6-b96d-3a7793580a3d,"EU_REACH:
-Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CCCCOCOCCCC,https://pubchem.ncbi.nlm.nih.gov/compound/17379,PubChem,CCCCOCOCCCC,Test
-"ChemSkin:
-2-Ethylhexyl-4-aminobenzoate",,26218-04-2,NC,ChemSkin: https://doi.org/10.3390/toxics9110314,"ChemSkin:
-Experimental study (OECD TG 404)",Provided,ChemSkin,1,CCCCC(CC)COC(=O)c1ccc(N)cc1,https://pubchem.ncbi.nlm.nih.gov/compound/11436614,PubChem,CCCCC(CC)COC(=O)c1ccc(N)cc1,Test
-"EU_REACH:
-1,3-dihydroxypropan-2-yl octanoate; 2,3-dihydroxypropyl octanoate",,26402-26-6,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/17696/7/4/2/?documentUUID=4f689890-ff0b-4d7e-82c9-ecd3f4425f29,"EU_REACH:
-Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CCCCCCCC(=O)OCC(O)CO,https://pubchem.ncbi.nlm.nih.gov/compound/3033877,PubChem,CCCCCCCC(=O)OCC(O)CO,Test
-"EU_CLP:
-5-ethoxy-5H-furan-2-one",,2833-30-9,Cat 1,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,CCOC1C=CC(=O)O1,https://pubchem.ncbi.nlm.nih.gov/compound/3293575,PubChem,CCOC1C=CC(=O)O1,Test
-"EU_REACH:
-1-(3-Chloro-4-hydroxyphenyl)ethanone",,2892-29-7,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/17987/7/4/2/?documentUUID=3afdc14c-4f21-427b-a104-5a7b59735234,"EU_REACH:
-Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CC(=O)c1ccc(O)c(Cl)c1,https://pubchem.ncbi.nlm.nih.gov/compound/1051514,PubChem,CC(=O)c1ccc(O)c(Cl)c1,Test
-"EU_CLP:
-1,4,7,10-tetraazacyclododecane",,294-90-6,Cat 1,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,C1CNCCNCCNCCN1,https://pubchem.ncbi.nlm.nih.gov/compound/64963,PubChem,C1CNCCNCCNCCN1,Test
-"EU_REACH:
-1,4-bis[(2-ethylhexyl)amino]-5,8-dihydroxy-9,10-dihydroanthracene-9,10-dione",,295800-70-3,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/29374/7/4/2/?documentUUID=97077ee6-b7fc-4b8e-8557-b160b8eb7744,"EU_REACH:
-Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CCCCC(CC)CNc1ccc(NCC(CC)CCCC)c2c1C(=O)c1c(O)ccc(O)c1C2=O,https://pubchem.ncbi.nlm.nih.gov/compound/23062166,PubChem,CCCCC(CC)CNc1ccc(NCC(CC)CCCC)c2c1C(=O)c1c(O)ccc(O)c1C2=O,Test
-"EU_REACH:
-O,O-diethyl sulfanylphosphonothioate",,298-06-6,Cat 1,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/11749/7/4/2/?documentUUID=6e4adc46-cfc4-4263-bfcb-f7ecd7d659f6,"EU_REACH:
-Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CCOP(=S)(S)OCC,https://pubchem.ncbi.nlm.nih.gov/compound/9274,PubChem,CCOP(=S)(S)OCC,Test
-"EU_REACH:
-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide",,302964-08-5,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/20338/7/4/2/?documentUUID=c263e08a-037e-48e5-b3ef-b166a36fb205,"EU_REACH:
-Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,Cc1nc(Cl)cc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)n1,https://pubchem.ncbi.nlm.nih.gov/compound/11269410,PubChem,Cc1nc(Cl)cc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)n1,Test
-"EU_REACH:
-(2-aminoethyl)[3-(methoxydimethylsilyl)propyl]amine",,3069-33-8,Cat 1,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/17243/7/4/2/?documentUUID=550955f7-5c32-4129-a3b9-cadf21911fe6,"EU_REACH:
-Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CO[Si](C)(C)CCCNCCN,https://pubchem.ncbi.nlm.nih.gov/compound/76484,PubChem,CO[Si](C)(C)CCCNCCN,Test
-"EU_REACH:
-2-{[2,6-dibromo-4-(2-{3,5-dibromo-4-[(oxiran-2-yl)methoxy]phenyl}propan-2-yl)phenoxy]methyl}oxirane",,3072-84-2,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/19397/7/4/2/?documentUUID=32ea6293-18c8-4530-b73c-780546b19bc1,"EU_REACH:
-Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CC(C)(c1cc(Br)c(OCC2CO2)c(Br)c1)c1cc(Br)c(OCC2CO2)c(Br)c1,https://pubchem.ncbi.nlm.nih.gov/compound/62250,PubChem,CC(C)(c1cc(Br)c(OCC2CO2)c(Br)c1)c1cc(Br)c(OCC2CO2)c(Br)c1,Test
-"ChemSkin:
-4-Methylthio-benzaldehyde #",,3446-89-7,NC,ChemSkin: https://doi.org/10.3390/toxics9110314,"ChemSkin:
-Experimental study (OECD TG 404)",Provided,ChemSkin,1,CSc1ccc(C=O)cc1,https://pubchem.ncbi.nlm.nih.gov/compound/76985,PubChem,CSc1ccc(C=O)cc1,Test
-"EU_REACH:
-1-butylpyrrolidin-2-one",,3470-98-2,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/10579/7/4/2/?documentUUID=32866bf0-c291-4561-a4de-2e6444461078,"EU_REACH:
-Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CCCCN1CCCC1=O,https://pubchem.ncbi.nlm.nih.gov/compound/18984,PubChem,CCCCN1CCCC1=O,Test
-"ChemSkin:
-3-Chloro-4-fluoronitrobenzene",,350-30-1,NC,ChemSkin: https://doi.org/10.3390/toxics9110314,"ChemSkin:
-Experimental study (OECD TG 404)",Provided,ChemSkin,1,O=[N+]([O-])c1ccc(F)c(Cl)c1,https://pubchem.ncbi.nlm.nih.gov/compound/67688,PubChem,O=[N+]([O-])c1ccc(F)c(Cl)c1,Test
-"EU_REACH:
-methyl 3,6-dichloro-4-acetamidopyridine-2-carboxylate",,350601-49-9,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/12238/7/4/2/?documentUUID=1beab499-6cdf-46e5-88b3-746c32b11eb6,"EU_REACH:
-Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,COC(=O)c1nc(Cl)cc(NC(C)=O)c1Cl,https://pubchem.ncbi.nlm.nih.gov/compound/22677481,PubChem,COC(=O)c1nc(Cl)cc(NC(C)=O)c1Cl,Test
-"EU_REACH:
-2-ISOPROPYL-1,3-DIOXANE-5,5-DICARBOXYLIC ACID DIETHYL ESTER",,35113-48-5,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/5703/7/4/2/?documentUUID=d929f706-4bd3-4333-881c-e7d85a5d926b,"EU_REACH:
-Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CCOC(=O)C1(C(=O)OCC)COC(C(C)C)OC1,https://pubchem.ncbi.nlm.nih.gov/compound/12502784,PubChem,CCOC(=O)C1(C(=O)OCC)COC(C(C)C)OC1,Test
-"EU_CLP:
-2-bromo-1-(2-furyl)-2-nitroethylene",,35950-52-8,Cat 1,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,O=[N+]([O-])/C(Br)=C\c1ccco1,https://pubchem.ncbi.nlm.nih.gov/compound/11830903,PubChem,O=[N+]([O-])/C(Br)=C\c1ccco1,Test
-"EU_CLP:
-(S)-(-)-2-acetoxypropionylchloride; (1S)-2-chloro-1-methyl-2-oxoethyl acetate",,36394-75-9,Cat 1,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,CC(=O)O[C@@H](C)C(=O)Cl,https://pubchem.ncbi.nlm.nih.gov/compound/11094804,PubChem,CC(=O)O[C@@H](C)C(=O)Cl,Test
-"EU_CLP:
-1-methoxy-2-propylamine",,37143-54-7,Cat 1,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,COCC(C)N,https://pubchem.ncbi.nlm.nih.gov/compound/123458,PubChem,COCC(C)N,Test
-"EU_REACH:
-(1S)-1-phenylpropan-1-amine",,3789-59-1,Cat 1,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/12413/7/4/2/?documentUUID=8808eb0c-2c67-4bb0-9fae-fbace9c85f10,"EU_REACH:
-Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CC[C@H](N)c1ccccc1,https://pubchem.ncbi.nlm.nih.gov/compound/6993773,PubChem,CC[C@H](N)c1ccccc1,Test
-"EU_REACH:
-1-(2-ethylbutyl)cyclohexane-1-carboxylic acid",,381209-09-2,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/22242/7/4/2/?documentUUID=67da2f1a-8633-4c56-b78f-fc0878427c79,"EU_REACH:
-Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CCC(CC)CC1(C(=O)O)CCCCC1,https://pubchem.ncbi.nlm.nih.gov/compound/10488751,PubChem,CCC(CC)CC1(C(=O)O)CCCCC1,Test
-"EU_CLP:
-3-chloro-2,4-difluoronitrobenzene",,3847-58-3,Cat 1,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,O=[N+]([O-])c1ccc(F)c(Cl)c1F,https://pubchem.ncbi.nlm.nih.gov/compound/223080,PubChem,O=[N+]([O-])c1ccc(F)c(Cl)c1F,Test
-"EU_REACH:
-Ethanone, 2-chloro-1-(3-chloro-4-hydroxyphenyl)-",,39066-18-7,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/17995/7/4/2/?documentUUID=ceaec4d9-48ba-4ce8-a2a5-dbeb5c3659fd,"EU_REACH:
-Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,O=C(CCl)c1ccc(O)c(Cl)c1,https://pubchem.ncbi.nlm.nih.gov/compound/23191752,PubChem,O=C(CCl)c1ccc(O)c(Cl)c1,Test
-"EU_CLP:
-neodecanoyl chloride",,40292-82-8,Cat 1,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,CC(C)(C)CCCCCC(=O)Cl,https://pubchem.ncbi.nlm.nih.gov/compound/94502,PubChem,CC(C)(C)CCCCCC(=O)Cl,Test
-"EU_REACH:
-2-(7-ethyl-1H-indol-3-yl)ethan-1-ol",,41340-36-7,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/22803/7/4/2/?documentUUID=b9355038-11e9-48ee-92b0-12615a0760c1,"EU_REACH:
-Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CCc1cccc2c(CCO)c[nH]c12,https://pubchem.ncbi.nlm.nih.gov/compound/198231,PubChem,CCc1cccc2c(CCO)c[nH]c12,Test
-"EU_REACH:
-diethyl pyridine-2,4-dicarboxylate",,41438-38-4,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/18795/7/4/2/?documentUUID=aeabbe4e-be2a-4a36-b770-fbb08e206fc0,"EU_REACH:
-Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CCOC(=O)c1ccnc(C(=O)OCC)c1,https://pubchem.ncbi.nlm.nih.gov/compound/170509,PubChem,CCOC(=O)c1ccnc(C(=O)OCC)c1,Test
-"ChemSkin:
-4-Acetoxy-2,5-dimethyl-3(2H)-furanone (2,5-dimethyl-4-oxo-4,5-dihydrofuran-3-yl acetate)",,4166-20-5,NC,ChemSkin: https://doi.org/10.3390/toxics9110314,"ChemSkin:
-Experimental study (OECD TG 404)",Provided,ChemSkin,1,CC(=O)OC1=C(C)OC(C)C1=O,https://pubchem.ncbi.nlm.nih.gov/compound/61334,PubChem,CC(=O)OC1=C(C)OC(C)C1=O,Test
-"EU_CLP:
-2,3,4,5-tetrachlorobenzoylchloride",,42221-52-3,Cat 1,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,O=C(Cl)c1cc(Cl)c(Cl)c(Cl)c1Cl,https://pubchem.ncbi.nlm.nih.gov/compound/5463797,PubChem,O=C(Cl)c1cc(Cl)c(Cl)c(Cl)c1Cl,Test
-"EU_CLP:
-2-chloro-p-toluenesulfochloride",,42413-03-6,Cat 1,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,Cc1ccc(S(=O)(=O)Cl)cc1Cl,https://pubchem.ncbi.nlm.nih.gov/compound/259744,PubChem,Cc1ccc(S(=O)(=O)Cl)cc1Cl,Test
-"ChemSkin:
-2-(Formylamino)-3-thiophenecarboxylic acid",,43028-69-9,NC,ChemSkin: https://doi.org/10.3390/toxics9110314,"ChemSkin:
-Experimental study (OECD TG 404)",Provided,ChemSkin,1,O=CNc1sccc1C(=O)O,https://pubchem.ncbi.nlm.nih.gov/compound/3557280,PubChem,O=CNc1sccc1C(=O)O,Test
-"EU_CLP:
-acrylic acid, 3-(trimethoxysilyl)propyl ester",,4369-14-6,Cat 1,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,C=CC(=O)OCCC[Si](OC)(OC)OC,https://pubchem.ncbi.nlm.nih.gov/compound/151204,PubChem,C=CC(=O)OCCC[Si](OC)(OC)OC,Test
-"EU_CLP:
-3-aminobenzylamine",,4403-70-7,Cat 1,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,NCc1cccc(N)c1,https://pubchem.ncbi.nlm.nih.gov/compound/4628831,PubChem,NCc1cccc(N)c1,Test
-"ChemSkin:
-Tetrabromophenol blue",,4430-25-5,NC,ChemSkin: https://doi.org/10.3390/toxics9110314,"ChemSkin:
-Experimental study (OECD TG 404)",Provided,ChemSkin,1,O=S1(=O)OC(c2cc(Br)c(O)c(Br)c2)(c2cc(Br)c(O)c(Br)c2)c2c(Br)c(Br)c(Br)c(Br)c21,https://pubchem.ncbi.nlm.nih.gov/compound/78159,PubChem,O=S1(=O)OC(c2cc(Br)c(O)c(Br)c2)(c2cc(Br)c(O)c(Br)c2)c2c(Br)c(Br)c(Br)c(Br)c21,Test
-"EU_CLP:
-2-methyl-2-azabicyclo[2.2.1]heptane",,4524-95-2,Cat 1,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,CN1CC2CCC1C2,https://pubchem.ncbi.nlm.nih.gov/compound/20618,PubChem,CN1CC2CCC1C2,Test
-"EU_REACH:
-trifluoro(oxolan-1-ium-1-yl)boranuide",,462-34-0,Cat 1,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/11415/7/4/2/?documentUUID=bee13733-38ca-4eea-9a61-f7dfb9951245,"EU_REACH:
-Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,F[B-](F)(F)[O+]1CCCC1,https://pubchem.ncbi.nlm.nih.gov/compound/60146129,PubChem,F[B-](F)(F)[O+]1CCCC1,Test
-"EU_REACH:
-carbonohydrazide",,497-18-7,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/13675/7/4/2/?documentUUID=2d268e7a-7b15-4d4e-9ea3-aefe926e4b2b,"EU_REACH:
-Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,NNC(=O)NN,https://pubchem.ncbi.nlm.nih.gov/compound/73948,PubChem,NNC(=O)NN,Test
-"EU_CLP:
-formaldehyde …%",,50-00-0,Cat 1,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,C=O,https://pubchem.ncbi.nlm.nih.gov/compound/712,PubChem,C=O,Test
-"EU_REACH:
-2-(acryloyloxy)ethyl hydrogen succinate",,50940-49-3,Cat 1,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/8819/7/4/2/?documentUUID=25776112-7770-40ef-89f3-d249b17c2d2c,"EU_REACH:
-Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,C=CC(=O)OCCOC(=O)CCC(=O)O,https://pubchem.ncbi.nlm.nih.gov/compound/175956,PubChem,C=CC(=O)OCCOC(=O)CCC(=O)O,Test
-"EU_CLP:
-2-(1-methylpropyl)-4-tert-butylphenol",,51390-14-8,Cat 1,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,CCC(C)c1cc(C(C)(C)C)ccc1O,https://pubchem.ncbi.nlm.nih.gov/compound/526207,PubChem,CCC(C)c1cc(C(C)(C)C)ccc1O,Test
-"EU_CLP:
-2-(diphosphonomethyl)succinic acid",,51395-42-7,Cat 1,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,O=C(O)CC(C(=O)O)C(P(=O)(O)O)P(=O)(O)O,https://pubchem.ncbi.nlm.nih.gov/compound/189891,PubChem,O=C(O)CC(C(=O)O)C(P(=O)(O)O)P(=O)(O)O,Test
-"EU_REACH:
-1-butoxy-3-(prop-2-en-1-yloxy)propan-2-ol",,53146-45-5,Cat 1,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/19633/7/4/2/?documentUUID=57d6a5cd-ae60-44a1-84ad-3f4309d56af4,"EU_REACH:
-Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,C=CCOCC(O)COCCCC,https://pubchem.ncbi.nlm.nih.gov/compound/13805865,PubChem,C=CCOCC(O)COCCCC,Test
-"EU_REACH:
-4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide",,53179-11-6,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/18180/7/4/2/?documentUUID=5e38ccb6-fb1d-446f-99c7-fc7b158a2784,"EU_REACH:
-Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CN(C)C(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1,https://pubchem.ncbi.nlm.nih.gov/compound/3955,PubChem,CN(C)C(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1,Test
-"EU_REACH:
-propyl (2S)-2-hydroxypropanoate",,53651-69-7,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/5435/7/4/2/?documentUUID=9c552395-e3e9-49da-842c-dac2e9279b2e,"EU_REACH:
-Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CCCOC(=O)[C@H](C)O,https://pubchem.ncbi.nlm.nih.gov/compound/2734942,PubChem,CCCOC(=O)[C@H](C)O,Test
-"EU_REACH:
-N-[4-(methoxyacetyl)phenyl]acetamide",,5437-98-9,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/20955/7/4/2/?documentUUID=d9217ed1-7d4e-4c22-8787-e7c1dc511ab4,"EU_REACH:
-Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,COc1ccc(NC(=O)CC(C)=O)cc1,https://pubchem.ncbi.nlm.nih.gov/compound/21576,PubChem,COc1ccc(NC(=O)CC(C)=O)cc1,Test
-"ChemSkin:
-2-Ethylhexyl 4-methoxycinnamate (octinoxate)",,5466-77-3,NC,ChemSkin: https://doi.org/10.3390/toxics9110314,"ChemSkin:
-Experimental study (OECD TG 404)",Provided,ChemSkin,1,CCCCC(CC)COC(=O)/C=C/c1ccc(OC)cc1,https://pubchem.ncbi.nlm.nih.gov/compound/5355130,PubChem,CCCCC(CC)COC(=O)/C=C/c1ccc(OC)cc1,Test
-"EU_CLP:
-3-iodpropene; allyl iodide",,556-56-9,Cat 1,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,C=CCI,https://pubchem.ncbi.nlm.nih.gov/compound/11166,PubChem,C=CCI,Test
-"EU_CLP:
-methyl isothiocyanate",,556-61-6,Cat 1,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,CN=C=S,https://pubchem.ncbi.nlm.nih.gov/compound/11167,PubChem,CN=C=S,Test
-"ChemSkin:
-3,3-Dimethylpentane",,562-49-2,NC,ChemSkin: https://doi.org/10.3390/toxics9110314,"ChemSkin:
-Experimental study (OECD TG 404)",Provided,ChemSkin,1,CCC(C)(C)CC,https://pubchem.ncbi.nlm.nih.gov/compound/11229,PubChem,CCC(C)(C)CC,Test
-"EU_REACH:
-tert-butyl 4-(6-aminopyridin-3-yl)piperazine-1-carboxylate",,571188-59-5,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/18360/7/4/2/?documentUUID=c8d68cf9-e328-4976-b049-a3e357bd6227,"EU_REACH:
-Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CC(C)(C)OC(=O)N1CCN(c2ccc(N)nc2)CC1,https://pubchem.ncbi.nlm.nih.gov/compound/11737525,PubChem,CC(C)(C)OC(=O)N1CCN(c2ccc(N)nc2)CC1,Test
-"EU_CLP:
-N,N-dimethylhydrazine",,57-14-7,Cat 1,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,CN(C)N,https://pubchem.ncbi.nlm.nih.gov/compound/5976,PubChem,CN(C)N,Test
-"EU_REACH:
-N,N,N',N'-tetrakis(2-hydroxypropyl)hexanediamide",,57843-53-5,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/10149/7/4/2/?documentUUID=567d1f2d-bfb7-4266-b931-059762b9bbb8,"EU_REACH:
-Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CC(O)CN(CC(C)O)C(=O)CCCCC(=O)N(CC(C)O)CC(C)O,https://pubchem.ncbi.nlm.nih.gov/compound/93821,PubChem,CC(O)CN(CC(C)O)C(=O)CCCCC(=O)N(CC(C)O)CC(C)O,Test
-"ChemSkin:
-4-Amino-4H-1,2,4-triazole (4-amino-1,2,4-triazole)",,584-13-4,NC,ChemSkin: https://doi.org/10.3390/toxics9110314,"ChemSkin:
-Experimental study (OECD TG 404)",Provided,ChemSkin,1,Nn1cnnc1,https://pubchem.ncbi.nlm.nih.gov/compound/11432,PubChem,Nn1cnnc1,Test
-"ChemSkin:
-n-Butyl propionate",,590-01-2,NC,ChemSkin: https://doi.org/10.3390/toxics9110314,"ChemSkin:
-Experimental study (OECD TG 404)",Provided,ChemSkin,1,CCCCOC(=O)CC,https://pubchem.ncbi.nlm.nih.gov/compound/11529,PubChem,CCCCOC(=O)CC,Test
-"EU_CLP:
-1-octylazepin-2-one",,59227-88-2,Cat 1,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,CCCCCCCCN1CCCCCC1=O,https://pubchem.ncbi.nlm.nih.gov/compound/2754067,PubChem,CCCCCCCCN1CCCCCC1=O,Test
-"ChemSkin:
-1,5-Hexadiene",,592-42-7,NC,ChemSkin: https://doi.org/10.3390/toxics9110314,"ChemSkin:
-Experimental study (OECD TG 404)",Provided,ChemSkin,1,C=CCCC=C,https://pubchem.ncbi.nlm.nih.gov/compound/11598,PubChem,C=CCCC=C,Test
-"EU_REACH:
-4-(2-phenylpropan-2-yl)phenol",,599-64-4,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/2159/7/4/2/?documentUUID=15c33855-af95-4a3d-9ad2-1de96140a629,"EU_REACH:
-Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CC(C)(c1ccccc1)c1ccc(O)cc1,https://pubchem.ncbi.nlm.nih.gov/compound/11742,PubChem,CC(C)(c1ccccc1)c1ccc(O)cc1,Test
-"EU_REACH:
-4-chloro-1,2-dimethylbenzene",,615-60-1,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/5679/7/4/2/?documentUUID=78ba5bec-caf0-4016-9cee-584f213d4c73,"EU_REACH:
-Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,Cc1ccc(Cl)cc1C,https://pubchem.ncbi.nlm.nih.gov/compound/32886,PubChem,Cc1ccc(Cl)cc1C,Test
-"EU_CLP:
-4-fluoro-3-trifluoromethylphenol",,61721-07-1,Cat 1,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,Oc1ccc(F)c(C(F)(F)F)c1,https://pubchem.ncbi.nlm.nih.gov/compound/601854,PubChem,Oc1ccc(F)c(C(F)(F)F)c1,Test
-"EU_CLP:
-N,N-diethyl-N',N'-dimethylpropan-1,3-diyl-diamine",,62478-82-4,Cat 1,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,CCN(CC)CCCN(C)C,https://pubchem.ncbi.nlm.nih.gov/compound/40429057,PubChem,CCN(CC)CCCN(C)C,Test
-"EU_CLP:
-methylene dithiocyanate",,6317-18-6,Cat 1,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,N#CSCSC#N,https://pubchem.ncbi.nlm.nih.gov/compound/22772,PubChem,N#CSCSC#N,Test
-"EU_REACH:
-(E)-4-decenal",,65405-70-1,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/17668/7/4/2/?documentUUID=323426b2-c9d3-4178-abad-14388c0cd2f8,"EU_REACH:
-Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CCCCC/C=C/CCC=O,https://pubchem.ncbi.nlm.nih.gov/compound/5702654,PubChem,CCCCC/C=C/CCC=O,Test
-"EU_CLP:
-2-chloro-3-trifluoromethylpyridine",,65753-47-1,Cat 1,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,FC(F)(F)c1cccnc1Cl,https://pubchem.ncbi.nlm.nih.gov/compound/589833,PubChem,FC(F)(F)c1cccnc1Cl,Test
-"EU_CLP:
-3,5-dimethylbenzoyl chloride",,6613-44-1,Cat 1,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,Cc1cc(C)cc(C(=O)Cl)c1,https://pubchem.ncbi.nlm.nih.gov/compound/81088,PubChem,Cc1cc(C)cc(C(=O)Cl)c1,Test
-"EU_REACH:
-8-bromo-7-(but-2-yn-1-yl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione",,666816-98-4,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/17504/7/4/2/?documentUUID=8b2e1d5d-9623-47ac-8507-2acd111690f7,"EU_REACH:
-Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CC#CCn1c(Br)nc2c1c(=O)[nH]c(=O)n2C,https://pubchem.ncbi.nlm.nih.gov/compound/21088927,PubChem,CC#CCn1c(Br)nc2c1c(=O)[nH]c(=O)n2C,Test
-"EU_CLP:
-2,4,6-tri-n-propyl-2,4,6-trioxo-1,3,5,2,4,6-trioxatriphosphorinane",,68957-94-8,Cat 1,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,CCCP1(=O)OP(=O)(CCC)OP(=O)(CCC)O1,https://pubchem.ncbi.nlm.nih.gov/compound/111923,PubChem,CCCP1(=O)OP(=O)(CCC)OP(=O)(CCC)O1,Test
-"EU_CLP:
-2,2-dibromo-2-nitroethanol",,69094-18-4,Cat 1,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,O=[N+]([O-])C(Br)(Br)CO,https://pubchem.ncbi.nlm.nih.gov/compound/93395,PubChem,O=[N+]([O-])C(Br)(Br)CO,Test
-"ChemSkin:
-1-Bromo-4-chlorobutane #",,6940-78-9,NC,ChemSkin: https://doi.org/10.3390/toxics9110314,"ChemSkin:
-Experimental study (OECD TG 404)",Provided,ChemSkin,1,ClCCCCBr,https://pubchem.ncbi.nlm.nih.gov/compound/81364,PubChem,ClCCCCBr,Test
-"EU_CLP:
-N-[3-[(2-acetyloxy)ethyl](phenyl-methyl)amino]-4-methoxyphenylacetamide",,70693-57-1,Cat 1,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,COc1ccc(NC(C)=O)cc1N(CCOC(C)=O)Cc1ccccc1,https://pubchem.ncbi.nlm.nih.gov/compound/116812,PubChem,COc1ccc(NC(C)=O)cc1N(CCOC(C)=O)Cc1ccccc1,Test
-"EU_REACH:
-bis(2-methylpropyl) cyclohexane-1,2-dicarboxylate",,70969-58-3,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/10446/7/4/2/?documentUUID=64c8dc3c-b391-4e53-ab8a-8d621ef56176,"EU_REACH:
-Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CC(C)COC(=O)C1CCCCC1C(=O)OCC(C)C,https://pubchem.ncbi.nlm.nih.gov/compound/116722,PubChem,CC(C)COC(=O)C1CCCCC1C(=O)OCC(C)C,Test
-"EU_REACH:
-3-(oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)aniline",,71604-74-5,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/15967/7/4/2/?documentUUID=2d51ec49-d096-4e16-ab84-f174ee20678a,"EU_REACH:
-Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,c1cc(OCC2CO2)cc(N(CC2CO2)CC2CO2)c1,https://pubchem.ncbi.nlm.nih.gov/compound/3018173,PubChem,c1cc(OCC2CO2)cc(N(CC2CO2)CC2CO2)c1,Test
-"EU_REACH:
-4-isobutyl-2-methylbenzaldehyde",,73206-60-7,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/17395/7/4/2/?documentUUID=6f8fb838-f6d9-4282-ab1d-f024ec72cf4d,"EU_REACH:
-Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,Cc1cc(CC(C)C)ccc1C=O,https://pubchem.ncbi.nlm.nih.gov/compound/12580548,PubChem,Cc1cc(CC(C)C)ccc1C=O,Test
-"EU_REACH:
-7,8-dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one",,73942-87-7,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/8045/7/4/2/?documentUUID=b8aaf6c9-883e-4be8-b46f-5474c19886d3,"EU_REACH:
-Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,COc1cc2c(cc1OC)CC(=O)NC=C2,https://pubchem.ncbi.nlm.nih.gov/compound/1482373,PubChem,COc1cc2c(cc1OC)CC(=O)NC=C2,Test
-"EU_CLP:
-diethylmethoxyborane",,7397-46-8,Cat 1,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,CCB(CC)OC,https://pubchem.ncbi.nlm.nih.gov/compound/522516,PubChem,CCB(CC)OC,Test
-"ChemSkin:
-Diisopropyl sebacate",,7491-02-3,NC,ChemSkin: https://doi.org/10.3390/toxics9110314,"ChemSkin:
-Experimental study (OECD TG 404)",Provided,ChemSkin,1,CC(C)OC(=O)CCCCCCCCC(=O)OC(C)C,https://pubchem.ncbi.nlm.nih.gov/compound/24096,PubChem,CC(C)OC(=O)CCCCCCCCC(=O)OC(C)C,Test
-"ChemSkin:
-Allyl phenoxyacetate #",,7493-74-5,NC,ChemSkin: https://doi.org/10.3390/toxics9110314,"ChemSkin:
-Experimental study (OECD TG 404)",Provided,ChemSkin,1,C=CCOC(=O)COc1ccccc1,https://pubchem.ncbi.nlm.nih.gov/compound/24117,PubChem,C=CCOC(=O)COc1ccccc1,Test
-"EU_CLP:
-ethylene oxide;
-oxirane",,75-21-8,Cat 1,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,C1CO1,https://pubchem.ncbi.nlm.nih.gov/compound/6354,PubChem,C1CO1,Test
-"EU_CLP:
-phosgene; carbonyl chloride",,75-44-5,Cat 1,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,O=C(Cl)Cl,https://pubchem.ncbi.nlm.nih.gov/compound/6371,PubChem,O=C(Cl)Cl,Test
-"EU_REACH:
-4-methyl-1H-pyrazole",,7554-65-6,Cat 1,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/7666/7/4/2/?documentUUID=7337caee-ea6c-4990-90bf-12bab3c74734,"EU_REACH:
-Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,Cc1cn[nH]c1,https://pubchem.ncbi.nlm.nih.gov/compound/3406,PubChem,Cc1cn[nH]c1,Test
-"EU_CLP:
-dichloro-(3-(3-chloro-4-fluorophenyl)propyl)methylsilane",,770722-36-6,Cat 1,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,C[Si](Cl)(Cl)CCCc1ccc(F)c(Cl)c1,https://pubchem.ncbi.nlm.nih.gov/compound/10902186,PubChem,C[Si](Cl)(Cl)CCCc1ccc(F)c(Cl)c1,Test
-"EU_CLP:
-chloro(3-(3-chloro-4-fluorophenyl)propyl)dimethylsilane",,770722-46-8,Cat 1,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,C[Si](C)(Cl)CCCc1ccc(F)c(Cl)c1,https://pubchem.ncbi.nlm.nih.gov/compound/57509075,PubChem,C[Si](C)(Cl)CCCc1ccc(F)c(Cl)c1,Test
-"EU_CLP:
-1,2,3,4-tetrahydro-1-naphthyl hydroperoxide",,771-29-9,Cat 1,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,OOC1CCCc2ccccc21,https://pubchem.ncbi.nlm.nih.gov/compound/69866,PubChem,OOC1CCCc2ccccc21,Test
-"EU_CLP:
-1,6-bis(3,3-bis((1-methylpentylidenimino)propyl)ureido)hexane",,771478-66-1,Cat 1,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,CCCCC(C)=NCCCNC(=O)NCCCCCCNC(=O)NCCCN=C(C)CCCC,https://pubchem.ncbi.nlm.nih.gov/compound/165341011,PubChem,CCCCC(C)=NCCCNC(=O)NCCCCCCNC(=O)NCCCN=C(C)CCCC,Test
-"EU_CLP:
-methyl acrylamidoglycolate (containing ≥ 0,1 % acrylamide)",,77402-05-2,Cat 1,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,C=CC(=O)NC(O)C(=O)OC,https://pubchem.ncbi.nlm.nih.gov/compound/157058,PubChem,C=CC(=O)NC(O)C(=O)OC,Test
-"EU_REACH:
-2-chlorobutane",,78-86-4,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/5783/7/4/2/?documentUUID=71225670-2420-4844-9b2b-0c5e6a774cc6,"EU_REACH:
-Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CCC(C)Cl,https://pubchem.ncbi.nlm.nih.gov/compound/6563,PubChem,CCC(C)Cl,Test
-"EU_CLP:
-8-p-menthyl hydroperoxide; p-menthane hydroperoxide",,80-47-7,Cat 1,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,CC1CCC(C(C)(C)OO)CC1,https://pubchem.ncbi.nlm.nih.gov/compound/6644,PubChem,CC1CCC(C(C)(C)OO)CC1,Test
-"EU_CLP:
-2-hydroxyethyl acrylate",,818-61-1,Cat 1,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,C=CC(=O)OCCO,https://pubchem.ncbi.nlm.nih.gov/compound/13165,PubChem,C=CC(=O)OCCO,Test
-"EU_REACH:
-N-(4-chlorophenyl)-4-{2-[2,5-dichloro-4-(dimethylsulfamoyl)phenyl]diazen-1-yl}-3-hydroxynaphthalene-2-carboxamide",,85776-14-3,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/15833/7/4/2/?documentUUID=07c04951-3157-48b0-8d4a-bab2dd3fcced,"EU_REACH:
-Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CN(C)S(=O)(=O)c1cc(Cl)c(N=Nc2c(O)c(C(=O)Nc3ccc(Cl)cc3)cc3ccccc23)cc1Cl,https://pubchem.ncbi.nlm.nih.gov/compound/136003704,PubChem,CN(C)S(=O)(=O)c1cc(Cl)c(N=Nc2c(O)c(C(=O)Nc3ccc(Cl)cc3)cc3ccccc23)cc1Cl,Test
-"EU_REACH:
-(3S)-oxolan-3-ol",,86087-23-2,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/11545/7/4/2/?documentUUID=1d0a0e08-9253-4df1-af13-4f6d9bb91a7f,"EU_REACH:
-Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,O[C@H]1CCOC1,https://pubchem.ncbi.nlm.nih.gov/compound/2733227,PubChem,O[C@H]1CCOC1,Test
-"ChemSkin:
-Naphthalene acetic acid #",,86-87-3,NC,ChemSkin: https://doi.org/10.3390/toxics9110314,"ChemSkin:
-Experimental study (OECD TG 404)",Provided,ChemSkin,1,O=C(O)Cc1cccc2ccccc12,https://pubchem.ncbi.nlm.nih.gov/compound/6862,PubChem,O=C(O)Cc1cccc2ccccc12,Test
-"EU_REACH:
-3-methyl-1-p-tolyl-5-pyrazolone",,86-92-0,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/16799/7/4/2/?documentUUID=da18385e-f85c-4410-96e2-1f7b56e7a2e9,"EU_REACH:
-Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CC1=NN(c2ccc(C)cc2)C(=O)C1,https://pubchem.ncbi.nlm.nih.gov/compound/66591,PubChem,CC1=NN(c2ccc(C)cc2)C(=O)C1,Test
-"EU_CLP:
-1,3-dichloro-5-ethyl-5-methylimidazolidine-2,4-dione",,89415-87-2,Cat 1,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,CCC1(C)C(=O)N(Cl)C(=O)N1Cl,https://pubchem.ncbi.nlm.nih.gov/compound/62299,PubChem,CCC1(C)C(=O)N(Cl)C(=O)N1Cl,Test
-"EU_CLP:
-methyl 3-amino-2,2,3-trimethylbutyrate",,90886-53-6,Cat 1,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,COC(=O)C(C)(C)C(C)(C)N,https://pubchem.ncbi.nlm.nih.gov/compound/154495,PubChem,COC(=O)C(C)(C)C(C)(C)N,Test
-"EU_REACH:
-3-methoxy-3,8,8,9,9-pentamethyl-2-oxa-7-thia-3,8-disiladecane",,927395-20-8,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/13652/7/4/2/?documentUUID=84464ba3-ab5f-4779-8cc4-e66f624bb933,"EU_REACH:
-Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CO[Si](C)(CCCS[Si](C)(C)C(C)(C)C)OC,https://pubchem.ncbi.nlm.nih.gov/compound/87161845,PubChem,CO[Si](C)(CCCS[Si](C)(C)C(C)(C)C)OC,Test
-"EU_REACH:
-3-[3-(triethoxysilyl)propyl]dihydrofuran-2,5-dione",,93642-68-3,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/17384/7/4/2/?documentUUID=f503e813-65fb-4a82-a429-b4e54214227d,"EU_REACH:
-Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CCO[Si](CCCC1CC(=O)OC1=O)(OCC)OCC,https://pubchem.ncbi.nlm.nih.gov/compound/3022158,PubChem,CCO[Si](CCCC1CC(=O)OC1=O)(OCC)OCC,Test
-"EU_REACH:
-2-(2-{2-[(2-ethylhexanoyl)oxy]ethoxy}ethoxy)ethyl 2-ethylhexanoate",,94-28-0,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/15760/7/4/2/?documentUUID=564ef9a7-74fa-4b6d-9d77-730550660c51,"EU_REACH:
-Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CCCCC(CC)C(=O)OCCOCCOCCOC(=O)C(CC)CCCC,https://pubchem.ncbi.nlm.nih.gov/compound/7185,PubChem,CCCCC(CC)C(=O)OCCOCCOCCOC(=O)C(CC)CCCC,Test
-"EU_REACH:
-(4-chloro-2-fluoro-3-methoxyphenyl)boronic acid",,944129-07-1,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/8067/7/4/2/?documentUUID=a2372e9a-98b4-453d-bff5-65ca3f556598,"EU_REACH:
-Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,COc1c(Cl)ccc(B(O)O)c1F,https://pubchem.ncbi.nlm.nih.gov/compound/44129706,PubChem,COc1c(Cl)ccc(B(O)O)c1F,Test
-"EU_REACH:
-4-[4-(prop-2-en-1-yloxy)benzenesulfonyl]phenol",,97042-18-7,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/13018/7/4/2/?documentUUID=9eeae5f6-2fff-4891-af9c-5426ae538003,"EU_REACH:
-Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,C=CCOc1ccc(S(=O)(=O)c2ccc(O)cc2)cc1,https://pubchem.ncbi.nlm.nih.gov/compound/2054598,PubChem,C=CCOc1ccc(S(=O)(=O)c2ccc(O)cc2)cc1,Test
-"EU_REACH:
-4-methoxy-3-nitro-N-phenylbenzamide",,97-32-5,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/17472/7/4/2/?documentUUID=784cd733-ef89-4649-b2e6-8b73600f1df3,"EU_REACH:
-Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,COc1ccc(C(=O)Nc2ccccc2)cc1[N+](=O)[O-],https://pubchem.ncbi.nlm.nih.gov/compound/7331,PubChem,COc1ccc(C(=O)Nc2ccccc2)cc1[N+](=O)[O-],Test
-"EU_REACH:
-4-hydroxybenzenesulfonic acid",,98-67-9,Cat 1,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/18559/7/4/2/?documentUUID=56597e61-f1e0-4fc5-bef8-dddd378b2253,"EU_REACH:
-Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,O=S(=O)(O)c1ccc(O)cc1,https://pubchem.ncbi.nlm.nih.gov/compound/4765,PubChem,O=S(=O)(O)c1ccc(O)cc1,Test

Corr_Neg/train.csv DELETED Viewed

The diff for this file is too large to render. See raw diff