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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 (535 chemicals) download TOXCAST PHASE II excel file 
CASEINECSJRC CODEChemical NameSMILES
123-30-8204-616-2JRC-0006734-AminophenolNc1ccc(O)cc1
128-37-0204-881-4-2,6-Di-Tert-Butyl-P-CresolCc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C
131-11-3205-011-6-1,2-Benzenedicarboxylic Acid, 1,2-Dimethyl EsterCOC(=O)c1ccccc1C(=O)OC
1333-82-0215-607-8-Chromium TrioxideO=[Cr](=O)=O
137-30-4205-288-3JRC-001064Zinc, Bis(N,N-Dimethylcarbamodithioato-κs,κs')-, (T-4)-CN(C)C(=S)S[Zn]SC(=S)N(C)C
141-78-6205-500-4-Ethyl AcetateCCOC(=O)C
144-55-8205-633-8JRC-000039Carbonic Acid Sodium Salt (1:1)C(O)(=O)[O-].[Na+]
151-21-3205-788-1JRC-000016Sulfuric Acid Monododecyl Ester Sodium Salt (1:1)CCCCCCCCCCCCOS(=O)(=O)O[Na]
151-50-8205-792-3JRC-000083Potassium Cyanide (K(CN))[K]C#N
152-11-4205-800-5JRC-000053(±)-Verapamil Hydrochloridec1([C@@](CCC[N@@](CCc2cc(c(OC)cc2)OC)C)(C(C)C)C#N)cc(c(OC)cc1)OC.Cl
16984-48-8--Fluoride[FH-]
18540-29-9606-053-1-Chromium Hexavalent Ion[Cr+6]
20830-75-5244-068-1JRC-000010DigoxinC[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|
2210-79-9218-645-3-2,3-Epoxypropyl O-Tolyl EtherCc1ccccc1OCC2CO2
22839-47-0245-261-3-AspartameCOC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](N)CC(O)=O
2426-08-6219-376-4JRC-001010Butyl 2,3-Epoxypropyl EtherCCCCOC[C@H]1CO1
121-14-2204-450-0JRC-0006392,4-DinitrotolueneCc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
122-66-7204-563-5JRC-000715HydrazobenzeneN(Nc1ccccc1)c2ccccc2
124-94-7204-718-7-Triamcinolone[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
127-07-1204-821-7JRC-000701HydrixycarbamideNC(=O)NO
127-18-4204-825-9-Ethene, 1,1,2,2-Tetrachloro-ClC(=C(Cl)Cl)Cl
1313-27-5215-204-7-Molybdenum TrioxideO=[Mo](=O)=O
1314-62-1215-239-8-Divanadium PentaoxideO=[V](=O)O[V](=O)=O
1317-36-8215-267-0-Lead MonoxideO=[Pb] |^2:1|
13674-84-5237-158-7-Tris(2-Chloro-1-Methylethyl) PhosphateCC(CCl)OP(=O)(OC(C)CCl)OC(C)CCl
147-94-4205-705-9JRC-000699CytarabineNC1=NC(=O)N(C=C1)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O
156-43-4205-855-5-P-PhenetidineCCOc1ccc(N)cc1
23564-05-8245-740-7JRC-000299Thiophanate-methylCOC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OC
121-75-5204-497-7JRC-000012MalathionCCOC(=O)CC(S[P](=S)(OC)OC)C(=O)OCC
124-19-6204-688-5-NonanalCCCCCCCCC=O
126-72-7204-799-9JRC-000634Tris(2,3-Dibromopropyl) PhosphateBrCC(Br)COP(=O)(OCC(Br)CBr)OCC(Br)CBr
132-27-4205-055-6-Sodium 2-BiphenylateOc1ccccc1c2ccccc2
13674-87-8237-159-2-Tris[2-Chloro-1-(Chloromethyl)Ethyl] PhosphateClCC(CCl)OP(=O)(OC(CCl)CCl)OC(CCl)CCl
140-88-5205-438-8-Ethyl AcrylateCCOC(=O)C=C
1746-01-6217-122-7JRC-000307Dibenzo[B,E][1,4]Dioxin, 2,3,7,8-Tetrachloro-Clc1cc2Oc3cc(Cl)c(Cl)cc3Oc2cc1Cl
1836-75-5217-406-0JRC-000275Benzene, 2,4-Dichloro-1-(4-Nitrophenoxy)-[O-][N+](=O)c1ccc(Oc2ccc(Cl)cc2Cl)cc1
25013-16-5246-563-8-Phenol, (1,1-Dimethylethyl)-4-Methoxy-C(C)(*)(C)C.c1(ccc(O)cc1)OC
120-83-2204-429-6JRC-000533Phenol, 2,4-Dichloro-Oc1ccc(Cl)cc1Cl
121-91-5204-506-4-Isophthalic AcidOC(=O)c1cccc(c1)C(=O)O
129-00-0204-927-3JRC-000061PyreneC1=CC2=C3C(C=CC4=CC=CC(C=C2)=C34)=C1
1319-77-3215-293-2-CresolCc1ccccc1O
1327-53-3215-481-4JRC-000086Arsenic Oxide (As2O3)-
1336-36-3215-648-1-1,1'-Biphenyl, Chloro Derivs.c1(c2ccccc2)ccccc1.Cl*
15663-27-1239-733-8JRC-000056Platinum, Diamminedichloro-, (Sp-4-2)-[Pt+2]([NH3])([Cl-])([Cl-])[NH3]
205-99-2205-911-9-Benzo[E]Acephenanthrylenec1ccc2c(c1)c3cccc4c5ccccc5cc2c34
121-82-4204-500-1-Perhydro-1,3,5-Trinitro-1,3,5-Triazine[O-][N+](=O)N1CN(CN(C1)[N+](=O)[O-])[N+](=O)[O-]
123-63-7204-639-8JRC-000038ParaldehydeCC1OC(C)OC(C)O1
123-91-1204-661-8-1,4-DioxaneC1COCCO1
124-40-3204-697-4-DimethylamineCNC
133-07-3205-088-6JRC-0006701h-Isoindole-1,3(2h)-Dione, 2-[(Trichloromethyl)Thio]-ClC(Cl)(Cl)SN1C(=O)c2ccccc2C1=O
1330-20-7215-535-7JRC-000082Benzene, Dimethyl-c1(ccccc1)C.C*
134-62-3205-149-7JRC-000353N,N-Diethyl-3-methylbenzamideCCN(CC)C(=O)c1cccc(C)c1
135158-54-2603-901-2-Acibenzolar-S-MethylCSC(=O)c1cccc2nnsc12
137-26-8205-286-2JRC-000653ThiramCN(C)C(=S)SSC(=S)N(C)C
139-13-9205-355-7-Nitrilotriacetic AcidOC(=O)CN(CC(=O)O)CC(=O)O
142-47-2205-538-1-Sodium Hydrogen Glutamate[Na].N[C@@H](CCC(O)=O)C([O])=O |^1:9|
151-67-7205-796-5-HalothaneFC(F)(F)C(Cl)Br
15481-70-6239-505-8JRC-0010032-Methylbenzene-1,3-Diamine DihydrochlorideCl.Cl.Cc1c(N)cccc1N
17804-35-2241-775-7-BenomylCCCCNC(=O)N1C(NC(=O)OC)=NC2=C1C=CC=C2
17831-71-9241-789-3-Oxybis(2,1-Ethanediyloxy-2,1-Ethanediyl)DiacrylateC=CC(=O)OCCOCCOCCOCCOC(=O)C=C
1910-42-5217-615-7JRC-000075Paraquat Dichloridec1(c2cc[n+](C)cc2)cc[n+](C)cc1.[ClH-].[ClH-]
23031-25-6245-385-8-TerbutalineCC(C)(C)NCC(O)c1cc(O)cc(O)c1
25103-58-6246-619-1-Tert-DodecanethiolCC(C)C(C)(C)C(C)(C)C(C)(C)S
121-69-7204-493-5-N,N-DimethylanilineCN(C)c1ccccc1
122-60-1204-557-2JRC-0007142,3-Epoxypropyl Phenyl EtherC(Oc1ccccc1)C2CO2
122-79-2204-575-0-Phenyl AcetateCC(=O)Oc1ccccc1
124-13-0204-683-8-OctanalCCCCCCCC=O
126-73-8204-800-2-Tributyl PhosphateCCCCOP(=O)(OCCCC)OCCCC
12674-11-2--Aroclor 1016Clc1cc(cc(Cl)c1)c2cccc(Cl)c2
128-39-2204-884-0-2,6-Di-Tert-ButylphenolCC(C)(C)c1cccc(c1O)C(C)(C)C
133-06-2205-087-0JRC-000669CaptanClC(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O
13410-01-0236-501-8JRC-000096Selenic Acid, Sodium Salt (1:2)[O-][Se](=O)(=O)[O-].[Na+].[Na+]
139-65-1205-370-9JRC-0007184,4'-ThiodianilineNc1ccc(Sc2ccc(N)cc2)cc1
141-32-2205-480-7-Butyl AcrylateCCCCOC(=O)C=C
1502-95-0216-124-5-O,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
1563-66-2216-353-0-7-Benzofuranol, 2,3-Dihydro-2,2-Dimethyl-, 7-(N-Methylcarbamate)CNC(=O)Oc1cccc2CC(C)(C)Oc12
218-01-9205-923-4JRC-000745Chrysenec1ccc2c(c1)ccc3c4ccccc4ccc23
22967-92-6--Mercury(1+), Methyl- (9ci)C[Hg+]
123-54-6204-634-0-Pentane-2,4-DioneCC(=O)CC(=O)C
127-69-5204-858-9-SulfafurazoleCc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C
130-61-0204-992-8JRC-000022Thioridazine Hydrochloridec1cc2N(CC[C@@H]3[N@@](C)CCCC3)c3c(Sc2cc1)ccc(c3)SC.Cl
13292-46-1236-312-0JRC-000054Rifampicin[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
13494-80-9236-813-4-Tellurium[Te]
140-29-4205-410-5-PhenylacetonitrileN#CCc1ccccc1
142-78-9205-560-1-N-(2-Hydroxyethyl)DodecanamideCCCCCCCCCCCC(=O)NCCO
14464-46-1238-455-4-CristobaliteO=[Si]=O
14808-60-7238-878-4-Quartz (Sio2)O=[Si]=O
149-30-4205-736-8-Benzothiazole-2-ThiolSc1nc2ccccc2s1
150-68-5205-766-1-MonuronCN(C)C(=O)Nc1ccc(Cl)cc1
16065-83-1605-220-6-Chromium, Ion (Cr3+)[Cr+3]
16590-41-3240-649-9-Naltrexone[H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(CC3CC3)[C@]([H])(C4)[C@]1(O)CCC2=O
2451-62-9219-514-3JRC-0007601,3,5-Tris(Oxiranylmethyl)-1,3,5-Triazine-2,4,6(1h,3h,5h)-TrioneO=C1N(CC2CO2)C(=O)N(CC3CO3)C(=O)N1CC4CO4
122-39-4204-539-4-Benzenamine, N-Phenyl-N(c1ccccc1)c2ccccc2
123-31-9204-617-8-HydroquinoneOc1ccc(O)cc1
12427-38-2235-654-8-Maneb[Mn++].[S-]C(=S)NCCNC([S-])=S
13472-08-7236-740-8-2,2'-Azobis[2-Methylbutyronitrile]CCC(C)(N=NC(C)(CC)C#N)C#N
143-50-0205-601-3JRC-000180ChlordeconeClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl
1461-22-9215-958-7-Tributyltin ChlorideCCCC[Sn](Cl)(CCCC)CCCC
149-57-5205-743-6JRC-0005082-Ethylhexanoic AcidCCCC[C@H](CC)C(O)=O
19774-82-4243-293-2JRC-000044Amiodarone Hydrochloridec1(c2c(cccc2)oc1CCCC)C(c1cc(c(OCC[NH+](CC)CC)c(c1)I)I)=O.[ClH-]
2008-41-5217-916-3-ButylateCCSC(=O)N(CC(C)C)CC(C)C

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