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TOXCAST PHASE II: US EPA ToxCast list - phase II The US EPA's ToxCast program aims to address concerns over animal use and the thousands of environmental chemicals lacking toxicity data by screening and prioritizing chemicals for potential human toxicity using in vitro assays and in silico approaches. During Phase II, 700 additional chemicals are being screened, including drugs, green chemicals, and chemicals in consumer products. 1 (534 chemicals) download  excel file 
CASEINECSChemical NameSMILES
121-14-2 204-450-02,4-DinitrotolueneCc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
121-69-7 204-493-5N,N-DimethylanilineCN(C)c1ccccc1
121-75-5 204-497-7MalathionCCOC(=O)CC(S[P](=S)(OC)OC)C(=O)OCC
121-82-4 204-500-1Perhydro-1,3,5-Trinitro-1,3,5-Triazine[O-][N+](=O)N1CN(CN(C1)[N+](=O)[O-])[N+](=O)[O-]
121-91-5 204-506-4Isophthalic AcidOC(=O)c1cccc(c1)C(=O)O
122-39-4 204-539-4Benzenamine, N-Phenyl-N(c1ccccc1)c2ccccc2
122-60-1 204-557-22,3-Epoxypropyl Phenyl EtherC(Oc1ccccc1)C2CO2
122-66-7 204-563-5HydrazobenzeneN(Nc1ccccc1)c2ccccc2
122-79-2 204-575-0Phenyl AcetateCC(=O)Oc1ccccc1
123-30-8 204-616-24-AminophenolNc1ccc(O)cc1
123-31-9 204-617-8HydroquinoneOc1ccc(O)cc1
123-54-6 204-634-0Pentane-2,4-DioneCC(=O)CC(=O)C
123-63-7 204-639-8ParaldehydeCC1OC(C)OC(C)O1
123-91-1 204-661-81,4-DioxaneC1COCCO1
124-13-0 204-683-8OctanalCCCCCCCC=O
124-19-6 204-688-5NonanalCCCCCCCCC=O
124-40-3 204-697-4DimethylamineCNC
124-94-7 204-718-7Triamcinolone[H][C@@]12C[C@@H](O)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C
12427-38-2 235-654-8Maneb[Mn++].[S-]C(=S)NCCNC([S-])=S
126-72-7 204-799-9Tris(2,3-Dibromopropyl) PhosphateBrCC(Br)COP(=O)(OCC(Br)CBr)OCC(Br)CBr
126-73-8 204-800-2Tributyl PhosphateCCCCOP(=O)(OCCCC)OCCCC
12674-11-2 Aroclor 1016Clc1cc(cc(Cl)c1)c2cccc(Cl)c2
127-07-1 204-821-7HydrixycarbamideNC(=O)NO
127-18-4 204-825-9Ethene, 1,1,2,2-Tetrachloro-ClC(=C(Cl)Cl)Cl
127-69-5 204-858-9SulfafurazoleCc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C
128-37-0 204-881-42,6-Di-Tert-Butyl-P-CresolCc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C
128-39-2 204-884-02,6-Di-Tert-ButylphenolCC(C)(C)c1cccc(c1O)C(C)(C)C
129-00-0 204-927-3PyreneC1=CC2=C3C(C=CC4=CC=CC(C=C2)=C34)=C1
130-61-0 204-992-8Thioridazine Hydrochloridec1cc2N(CC[C@@H]3[N@@](C)CCCC3)c3c(Sc2cc1)ccc(c3)SC.Cl
131-11-3 205-011-61,2-Benzenedicarboxylic Acid, 1,2-Dimethyl EsterCOC(=O)c1ccccc1C(=O)OC
1313-27-5 215-204-7Molybdenum TrioxideO=[Mo](=O)=O
1314-62-1 215-239-8Divanadium PentaoxideO=[V](=O)O[V](=O)=O
1317-36-8 215-267-0Lead MonoxideO=[Pb] |^2:1|
1319-77-3 215-293-2CresolCc1ccccc1O
132-27-4 205-055-6Sodium 2-BiphenylateOc1ccccc1c2ccccc2
1327-53-3 215-481-4Arsenic Oxide (As2O3)O1[As]2O[As]1O2
13292-46-1 236-312-0Rifampicin[H][C@]1(OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)\C=C\C=C(C)C(=O)NC2=C(\C=N\N3CCN(C)CC3)C(O)=C3C4=C(O[C@](C)(O\C=C\[C@H](OC)[C@H]1C)C4=O)C(C)=C(O)C3=C2O
133-06-2 205-087-0CaptanClC(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O
133-07-3 205-088-61h-Isoindole-1,3(2h)-Dione, 2-[(Trichloromethyl)Thio]-ClC(Cl)(Cl)SN1C(=O)c2ccccc2C1=O
1330-20-7 215-535-7Benzene, Dimethyl-c1(ccccc1)C.C*
1333-82-0 215-607-8Chromium TrioxideO=[Cr](=O)=O
1336-36-3 215-648-11,1'-Biphenyl, Chloro Derivs.c1(c2ccccc2)ccccc1.Cl*
134-62-3 205-149-7N,N-Diethyl-3-methylbenzamideCCN(CC)C(=O)c1cccc(C)c1
13410-01-0 236-501-8Selenic Acid, Sodium Salt (1:2)[O-][Se](=O)(=O)[O-].[Na+].[Na+]
13472-08-7 236-740-82,2'-Azobis[2-Methylbutyronitrile]CCC(C)(N=NC(C)(CC)C#N)C#N
13494-80-9 236-813-4Tellurium[Te]
135158-54-2 603-901-2Acibenzolar-S-MethylCSC(=O)c1cccc2nnsc12
13674-84-5 237-158-7Tris(2-Chloro-1-Methylethyl) PhosphateCC(CCl)OP(=O)(OC(C)CCl)OC(C)CCl
13674-87-8 237-159-2Tris[2-Chloro-1-(Chloromethyl)Ethyl] PhosphateClCC(CCl)OP(=O)(OC(CCl)CCl)OC(CCl)CCl
137-26-8 205-286-2ThiramCN(C)C(=S)SSC(=S)N(C)C
137-30-4 205-288-3Zinc, Bis(N,N-Dimethylcarbamodithioato-κs,κs')-, (T-4)-CN(C)C(=S)S[Zn]SC(=S)N(C)C
139-13-9 205-355-7Nitrilotriacetic AcidOC(=O)CN(CC(=O)O)CC(=O)O
139-65-1 205-370-94,4'-ThiodianilineNc1ccc(Sc2ccc(N)cc2)cc1
140-29-4 205-410-5PhenylacetonitrileN#CCc1ccccc1
140-88-5 205-438-8Ethyl AcrylateCCOC(=O)C=C
141-32-2 205-480-7Butyl AcrylateCCCCOC(=O)C=C
141-78-6 205-500-4Ethyl AcetateCCOC(=O)C
142-47-2 205-538-1Sodium Hydrogen Glutamate[Na].N[C@@H](CCC(O)=O)C([O])=O |^1:9|
142-78-9 205-560-1N-(2-Hydroxyethyl)DodecanamideCCCCCCCCCCCC(=O)NCCO
143-50-0 205-601-3ChlordeconeClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl
144-55-8 205-633-8Carbonic Acid Sodium Salt (1:1)C(O)(=O)[O-].[Na+]
14464-46-1 238-455-4CristobaliteO=[Si]=O
1461-22-9 215-958-7Tributyltin ChlorideCCCC[Sn](Cl)(CCCC)CCCC
147-94-4 205-705-9CytarabineNC1=NC(=O)N(C=C1)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O
14808-60-7 238-878-4Quartz (Sio2)O=[Si]=O
149-30-4 205-736-8Benzothiazole-2-ThiolSc1nc2ccccc2s1
149-57-5 205-743-62-Ethylhexanoic AcidCCCC[C@H](CC)C(O)=O
150-68-5 205-766-1MonuronCN(C)C(=O)Nc1ccc(Cl)cc1
1502-95-0 216-124-5O,O'-Diacetylmorphine HydrochlorideCl.[H][C@@]12OC3=C(OC(C)=O)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])C=C[C@@H]2OC(C)=O
151-21-3 205-788-1Sulfuric Acid Monododecyl Ester Sodium Salt (1:1)C(CCCCCCCCCC)COS(=O)(=O)[O-].[Na+]
151-50-8 205-792-3Potassium Cyanide (K(CN))[K]C#N
151-67-7 205-796-5HalothaneFC(F)(F)C(Cl)Br
152-11-4 205-800-5(±)-Verapamil Hydrochloridec1([C@@](CCC[N@@](CCc2cc(c(OC)cc2)OC)C)(C(C)C)C#N)cc(c(OC)cc1)OC.Cl
15481-70-6 239-505-82-Methylbenzene-1,3-Diamine DihydrochlorideCl.Cl.Cc1c(N)cccc1N
156-43-4 205-855-5P-PhenetidineCCOc1ccc(N)cc1
1563-66-2 216-353-07-Benzofuranol, 2,3-Dihydro-2,2-Dimethyl-, 7-(N-Methylcarbamate)CNC(=O)Oc1cccc2CC(C)(C)Oc12
15663-27-1 239-733-8Platinum, Diamminedichloro-, (Sp-4-2)-[Pt+2]([NH3])([Cl-])([Cl-])[NH3]
16065-83-1 605-220-6Chromium, Ion (Cr3+)[Cr+3]
16590-41-3 240-649-9Naltrexone[H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(CC3CC3)[C@]([H])(C4)[C@]1(O)CCC2=O
16984-48-8 Fluoride[FH-]
1746-01-6 217-122-7Dibenzo[B,E][1,4]Dioxin, 2,3,7,8-Tetrachloro-Clc1cc2Oc3cc(Cl)c(Cl)cc3Oc2cc1Cl
17804-35-2 241-775-7BenomylCCCCNC(=O)N1C(NC(=O)OC)=NC2=C1C=CC=C2
17831-71-9 241-789-3Oxybis(2,1-Ethanediyloxy-2,1-Ethanediyl)DiacrylateC=CC(=O)OCCOCCOCCOCCOC(=O)C=C
1836-75-5 217-406-0Benzene, 2,4-Dichloro-1-(4-Nitrophenoxy)-[O-][N+](=O)c1ccc(Oc2ccc(Cl)cc2Cl)cc1
18540-29-9 606-053-1Chromium Hexavalent Ion[Cr+6]
1910-42-5 217-615-7Paraquat Dichloridec1(c2cc[n+](C)cc2)cc[n+](C)cc1.[ClH-].[ClH-]
19774-82-4 243-293-2Amiodarone Hydrochloridec1(c2c(cccc2)oc1CCCC)C(c1cc(c(OCC[NH+](CC)CC)c(c1)I)I)=O.[ClH-]
2008-41-5 217-916-3ButylateCCSC(=O)N(CC(C)C)CC(C)C
205-99-2 205-911-9Benzo[E]Acephenanthrylenec1ccc2c(c1)c3cccc4c5ccccc5cc2c34
20830-75-5 244-068-1DigoxinC[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]1[C@@H](O)C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3CC[C@@]4(C)[C@H](CC[C@@H]5[C@@H]4C[C@@H](O)[C@]4(C)[C@H](CC[C@]54O)C4=CC(=O)OC4)C3)O[C@@H]2C)O[C@@H]1C |t:46|
22839-47-0 245-261-3AspartameCOC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](N)CC(O)=O
22967-92-6 Mercury(1+), Methyl- (9ci)C[Hg+]
2451-62-9 219-514-31,3,5-Tris(Oxiranylmethyl)-1,3,5-Triazine-2,4,6(1h,3h,5h)-TrioneO=C1N(CC2CO2)C(=O)N(CC3CO3)C(=O)N1CC4CO4
25013-16-5 246-563-8Phenol, (1,1-Dimethylethyl)-4-Methoxy-C(C)(*)(C)C.c1(ccc(O)cc1)OC
25103-58-6 246-619-1Tert-DodecanethiolCC(C)C(C)(C)C(C)(C)C(C)(C)S
26447-40-5 247-714-0Methylenediphenyl DiisocyanateO=C=Nc1ccc(Cc2ccc(cc2)N=C=O)cc1
26471-62-5 247-722-4M-Tolylidene DiisocyanateCc1ccc(cc1N=C=O)N=C=O
28289-54-5 248-939-71,2,3,6-Tetrahydro-1-Methyl-4-PhenylpyridineCN1CCC(=CC1)c2ccccc2
2832-40-8 220-600-8N-[4-[(2-Hydroxy-5-Methylphenyl)Azo]Phenyl]AcetamideCC(=O)Nc1ccc(cc1)N=Nc2cc(C)ccc2O
28322-02-3 248-964-3N-9h-Fluoren-4-YlacetamideCC(=O)Nc1cccc2Cc3ccccc3c12
28434-00-6 249-013-5S-BioallethrinCC(C)=C[C@@H]1[C@@H](C(=O)O[C@H]2CC(=O)C(CC=C)=C2C)C1(C)C
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