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path: root/models/mutagenicity-mp2d/download/efsa.csv
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+ID,SMILES,Mutagenicity
+1214-39-7,c1ccc(cc1)CNc1ncnc2c1[nH]cn2,non-mutagenic
+148-24-3,OS(=O)(=O)O.Oc1cccc2c1nccc2.Oc1cccc2c1nccc2,mutagenic
+148-24-3,Oc1cccc2c1nccc2,mutagenic
+71751-41-2,CO[C@H]1C[C@H](O[C@H]2[C@@H](C)/C=C/C=C/3\CO[C@H]4[C@]3(O)[C@@H](C=C([C@H]4O)C)C(=O)O[C@H]3C[C@@H](C/C=C/2\C)O[C@]2(C3)C=C[C@@H]([C@H](O2)[C@H](CC)C)C)O[C@H]([C@@H]1O[C@H]1C[C@H](OC)[C@H]([C@@H](O1)C)O)C,non-mutagenic
+101007-06-1,N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H]1[C@@H](C1(C)C)/C=C\C(=O)OC(C(F)(F)F)C(F)(F)F,non-mutagenic
+150114-71-9,Clc1cc(N)c(c(n1)C(=O)O)Cl,non-mutagenic
+120162-55-2,COc1nc(nc(c1)O)NC(=O)NS(=O)(=O)c1n(C)ncc1c1nnn(n1)C,non-mutagenic
+120162-55-2,COc1cc(OC)nc(n1)N,non-mutagenic
+120162-55-2,Cn1nnc(n1)c1cnn(c1S(=O)(=O)N)C,non-mutagenic
+94-75-7,Clc1ccc(c(c1)Cl)O,non-mutagenic
+94-82-6,OC(=O)CCCOc1ccc(cc1Cl)Cl,non-mutagenic
+83055-99-6,O=C1NS(=O)(=O)Cc2c1cccc2,non-mutagenic
+83055-99-6,COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)Cc1ccccc1C(=O)O,non-mutagenic
+83055-99-6,COC(=O)c1ccccc1CS(=O)(=O)N,non-mutagenic
+25057-89-0,CC(N1C(=O)c2ccccc2NS1(=O)=O)C,non-mutagenic
+177406-68-7,CC(OC(=O)N[C@@H](C(=O)N[C@@H](c1nc2c(s1)cc(cc2)F)C)C(C)C)C,mutagenic
+55179-31-2,OC(C(C)(C)C)C(n1cncn1)Oc1ccc(cc1)c1ccccc1,non-mutagenic
+581809-46-3,Fc1ccc(c(c1)c1ccc(c(c1)Cl)Cl)NC(=O)c1cn(nc1C(F)F)C,non-mutagenic
+28772-56-7,Brc1ccc(cc1)c1ccc(cc1)C(CC(c1c(=O)oc2c(c1O)cccc2)c1ccccc1)O,non-mutagenic
+116255-48-2,BrC1COC(C1)(Cn1cncn1)c1ccc(cc1Cl)Cl,non-mutagenic
+41483-43-6,CCCCc1c(C)nc(nc1OS(=O)(=O)N(C)C)NCC,non-mutagenic
+41483-43-6,CCCCc1c(=O)nc([nH]c1C)NCC,non-mutagenic
+69327-76-0,CC(N1C(=NC(C)(C)C)SCN(C1=O)c1ccccc1)C,non-mutagenic
+95465-99-9,CCOP(=O)(SC(CC)C)SC(CC)C,non-mutagenic
+133-06-2,ClC(SN1C(=O)C2C(C1=O)CC=CC2)(Cl)Cl,mutagenic
+571-58-4,Cc1ccc(c2c1cccc2)C,non-mutagenic
+3100-04-7,CC1=CC1,non-mutagenic
+97-53-0,C=CCc1ccc(c(c1)OC)O,non-mutagenic
+86-86-2,NC(=O)Cc1cccc2c1cccc2,non-mutagenic
+86-87-3,OC(=O)Cc1cccc2c1cccc2,non-mutagenic
+86-87-3,[O-]C(=O)Cc1cccc2c1cccc2.[Na+],non-mutagenic
+94-75-7,OC(=O)COc1ccc(cc1Cl)Cl,non-mutagenic
+71751-41-2,COC1CC(OC2C(C)C=CC=C3COCC4C3(O)C(C=C(C4O)C)C(=O)OC3CC(CC=C2C)OC2(C3)C=CC(C(O2)C(CC)C)C)OC(C1OC1CC(OC)C(C(O1)C)O)C,non-mutagenic
+71751-41-2,CO[C@H]1C[C@H](OC[C@]2(C)C=CC=C3CO[C@H]4[C@]3(O)[C@@H](C=C([C@H]4O)C)C(=O)O[C@H]3C[C@@H](CC=C2C)O[C@]2(C3)C=C[C@@H]([C@H](O2)[C@H](CC)C)C)O[C@H]([C@@H]1O[C@H]1C[C@H](OC)[C@H]([C@@H](O1)C)O)C,non-mutagenic
+57960-19-7,CCCCCCCCCCCCC1=C(OC(=O)C)C(=O)c2c(C1=O)cccc2,non-mutagenic
+57960-19-7,CCCCCCCCCCC(=O)C(=O)c1ccccc1C(=O)O,non-mutagenic
+135158-54-2,CSC(=O)c1cccc2c1snn2,non-mutagenic
+135158-54-2,OC(=O)c1cccc2c1snn2,mutagenic
+135158-54-2,OC(=O)c1ccc(c2c1snn2)O,non-mutagenic
+135158-54-2,Oc1cc2nnsc2c(c1)C(=O)O,non-mutagenic
+74070-46-5,Clc1c(ccc(c1N)[N+](=O)[O-])Oc1ccccc1,non-mutagenic
+101007-06-1,N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)/C=C\C(=O)O,non-mutagenic
+101007-06-1,OC(=O)/C=C\C1C(C1(C)C)C(=O)O,non-mutagenic
+7784-26-1,[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3].O.O.O.O.O.O.O.O.O.O.O.O.[NH4+],non-mutagenic
+20859-73-8,[Mg+2].[Mg+2].[Mg+2].[P-3].[P-3],non-mutagenic
+12057-74-8,P,non-mutagenic
+20859-73-8,[Al]#P,non-mutagenic
+120923-37-7,COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)N(S(=O)(=O)C)C,non-mutagenic
+120923-37-7,COc1nc(nc(c1)O)NC(=O)NS(=O)(=O)N(S(=O)(=O)C)C,non-mutagenic
+120923-37-7,Oc1cc(=O)[nH]c(n1)N,non-mutagenic
+16118-49-3,CCNC(=O)C(OC(=O)Nc1ccccc1)C,non-mutagenic
+348635-87-0,Fc1ccc2c(c1)n(c(c2Br)C)S(=O)(=O)c1ncn(n1)S(=O)(=O)N(C)C,non-mutagenic
+348635-87-0,Cc1c(Br)c2c(n1S(=O)(=O)C1=NN=C[N]1)cc(cc2)F,non-mutagenic
+131860-33-8,CO/C=C(\c1ccccc1Oc1ncnc(c1)Oc1ccccc1C#N)/C(=O)OC,non-mutagenic
+131860-33-8,N#Cc1ccccc1Oc1ncnc(c1)Oc1ccccc1/C(=C/C(=O)C)/C(=O)O,non-mutagenic
+50-81-7,OCC(C1OC(=O)C(=C1O)O)O,non-mutagenic
+11141-17-6,C/C=C(/C(=O)OC1CC(OC(=O)C)C2(C3C41COC(C4C(C)(C(C3OC2)O)C12OC2(C)C2CC1OC1C2(O)C=CO1)(O)C(=O)OC)OC(=O)C)\C,non-mutagenic
+1861-40-1,CCCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CC,non-mutagenic
+120162-55-2,COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1n(C)ncc1c1nnn(n1)C,non-mutagenic
+82560-54-1,CCOC(=O)CCN(C(C)C)SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C,non-mutagenic
+83055-99-6,COc1nc(nc(c1)OC)NC(=O)NS(=O)(=O)Cc1ccccc1C(=O)OC,non-mutagenic
+25057-89-0,CC(N1C(=O)c2ccccc2[N-]S1(=O)=O)C.[Na+],non-mutagenic
+25057-89-0,CC(N1C(=O)c2cccc(c2NS1(=O)=O)O)C,non-mutagenic
+65731-84-2,N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,mutagenic
+42576-02-3,COC(=O)c1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)Cl,non-mutagenic
+71626-11-4,COC(=O)C(N(c1c(C)cccc1C)C(=O)Cc1ccccc1)C,non-mutagenic
+98243-83-5,COC(=O)C(N(c1c(C)cccc1C)C(=O)CC(=O)O)C,non-mutagenic
+71626-11-4,CC(N(c1c(C)cccc1C)C(=O)CC(=O)O)C(=O)O,non-mutagenic
+177406-68-7,Fc1ccc2c(c1)sc(n2)O,non-mutagenic
+177406-68-7,Fc1ccc2c(c1)sc(n2)C(O)C,non-mutagenic
+177406-68-7,Fc1ccc2c(c1)sc(n2)C(=O)C,mutagenic
+177406-68-7,CC(OC(=O)NC(C(=O)NC(c1sc2c(n1)cc(c(c2)F)O)C)C(C)C)C,non-mutagenic
+105512-06-9,C#CCOC(=O)[C@H](Oc1ccc(cc1)Oc1ncc(cc1F)Cl)C,non-mutagenic
+81777-89-1,O=C1N(OCC1(C)C)Cc1ccccc1Cl,non-mutagenic
+81777-89-1,O=C1NOCC1(C)C,non-mutagenic
+51338-27-3,COC(=O)C(Oc1ccc(cc1)Oc1ccc(cc1Cl)Cl)C,non-mutagenic
+64902-72-3,COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1Cl,non-mutagenic
+64902-72-3,Clc1ccccc1S(=O)(=O)N,non-mutagenic
+64902-72-3,O=C(NS(=O)(=O)c1ccccc1Cl)NC(=N)/N=C(/O)\N,non-mutagenic
+1702-17-6,Clc1ccc(c(n1)C(=O)O)Cl,non-mutagenic
+122008-85-9,CCCCOC(=O)C(Oc1ccc(cc1)Oc1ccc(cc1F)C#N)C,non-mutagenic
+35367-38-5,O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1)Cl,non-mutagenic
+16118-49-3,CC(C(=O)NC(=O)O)OC(=O)Nc1ccccc1,non-mutagenic
+5234-68-4,O=C(C1=C(C)OCCS1)Nc1ccccc1,non-mutagenic
+5234-68-4,O=S1CCOC(=C1C(=O)N)C,non-mutagenic
+15165-67-0,OC(=O)[C@H](Oc1ccc(cc1Cl)Cl)C,non-mutagenic
+83164-33-4,Fc1ccc(c(c1)F)NC(=O)c1cccnc1Oc1cccc(c1)C(F)(F)F,non-mutagenic
+83164-33-4,OC(=O)c1cccnc1Oc1cccc(c1)C(F)(F)F,non-mutagenic
+66215-27-8,Nc1nc(NC2CC2)nc(n1)N,non-mutagenic
+99-30-9,[O-][N+](=O)c1cc(Cl)c(c(c1)Cl)N,mutagenic
+7173-51-5,CCCCCCCCCC[N+](CCCCCCCCCC)(C)C.[Cl-],non-mutagenic
+333-41-5,CCOP(=S)(Oc1cc(C)nc(n1)C(C)C)OCC,non-mutagenic
+74115-24-5,Clc1ccccc1c1nnc(nn1)c1ccccc1Cl,non-mutagenic
+57966-95-7,CCNC(=O)NC(=O)/C(=N/OC)/C#N,non-mutagenic
+85-00-7,c1cc[n+]2c(-c3cccc[n+]3CC2)c1,non-mutagenic
+85-00-7,O=C1NCC[n+]2c1cccc2,non-mutagenic
+31717-87-0,CC1OC(C)CN(C1)C1CCCCCCCCCCC1.CC(=O)O,non-mutagenic
+2439-10-3,CC(=O)O.CCCCCCCCCCCCNC(=N)N,non-mutagenic
+106325-08-0,Fc1ccc(cc1)C1(Cn2cncn2)OC1c1ccccc1Cl,non-mutagenic
+1918-00-9,COc1c(Cl)ccc(c1C(=O)O)Cl,non-mutagenic
+1918-00-9,COc1c(Cl)cc(c(c1C(=O)O)Cl)O,non-mutagenic
+66230-04-4,N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C(c1ccc(cc1)Cl)C(C)C,non-mutagenic
+66230-04-4,N#CC(C(c1ccc(cc1)Cl)C(C)C)c1cccc(c1)Oc1ccccc1,non-mutagenic
+66230-04-4,NC(=O)C(c1cccc(c1)Oc1ccccc1)OC(=O)C(c1ccc(cc1)Cl)C(C)C,non-mutagenic
+2593-15-9,CCOc1snc(n1)C(Cl)(Cl)Cl,non-mutagenic
+2593-15-9,CCOc1nc(ns1)C(=O)O,non-mutagenic
+180409-60-3,O=C(N=C(c1c(F)c(F)ccc1C(F)(F)F)NOCC1CC1)Cc1ccccc1,non-mutagenic
+180409-60-3,N/C(=N\OCC1CC1)/c1c(F)c(F)ccc1C(F)(F)F,non-mutagenic
+180409-60-3,NC(=N)c1c(F)c(F)ccc1C(F)(F)F,non-mutagenic
+180409-60-3,NC(=O)c1c(F)c(F)ccc1C(F)(F)F,non-mutagenic
+180409-60-3,O=C(N/C(=N\OCC1CC1)/c1c(F)c(F)ccc1C(F)(F)F)CC(=O)O,non-mutagenic
+180409-60-3,O=C(N/C(=N/OCC1CC1)/c1c(F)c(F)ccc1C(F)(F)F)Cc1ccccc1,non-mutagenic
+180409-60-3,OC(=O)C1CC1,non-mutagenic
+180409-60-3,OCC1CC1,non-mutagenic
+94361-06-5,CC(C(c1ccc(cc1)Cl)(Cn1ncnc1)O)C1CC1,non-mutagenic
+94361-06-5,OC(=O)/C=C/C(C(c1ccc(cc1)Cl)(Cn1cncn1)O)C,non-mutagenic
+94361-06-5,OC(=O)CC(C(C(c1ccc(cc1)Cl)(Cn1cncn1)O)C)O,non-mutagenic
+121552-61-2,Cc1nc(Nc2ccccc2)nc(c1)C1CC1,non-mutagenic
+121552-61-2,Cc1cc(nc(n1)N)C1CC1,non-mutagenic
+121552-61-2,Cc1nc(Nc2cccc(c2)O)nc(c1)C1CC1,non-mutagenic
+121552-61-2,OCc1nc(N)nc(c1)C1CC1,non-mutagenic
+121552-61-2,Cc1cc(nc(n1)O)C1CC1,non-mutagenic
+121552-61-2,OCc1nc(Nc2ccccc2)nc(c1)C1CC1,non-mutagenic
+110488-70-5,COc1cc(ccc1OC)/C(=C/C(=O)N1CCOCC1)/c1ccc(cc1)Cl,non-mutagenic
+50563-36-5,COCCN(c1c(C)cccc1C)C(=O)CCl,non-mutagenic
+50563-36-5,COCCN(c1c(C)cccc1C)C(=O)C(=O)O,non-mutagenic
+50563-36-5,COCCN(c1c(C)cccc1C)C(=O)CS(=O)(=O)O[Na],non-mutagenic
+50563-36-5,[Na]OS(=O)(=O)CC(=O)Nc1c(C)cccc1C,non-mutagenic
+50563-36-5,COC(=O)CN(c1c(C)cccc1C)C(=O)CS(=O)(=O)O[Na],non-mutagenic
+50563-36-5,OCC(=O)N(c1c(C)cccc1C)CCSCC(C(=O)O)O,non-mutagenic
+50563-36-5,COCCN(c1c(C)cccc1C(=O)O)C(=O)CO,non-mutagenic
+87130-20-9,CCOc1cc(ccc1OCC)NC(=O)OC(C)C,non-mutagenic
+80844-07-1,CCOc1ccc(cc1)C(COCc1cccc(c1)Oc1ccccc1)(C)C,non-mutagenic
+80844-07-1,CCOc1ccc(cc1)C(COC(=O)c1cccc(c1)Oc1ccccc1)(C)C,non-mutagenic
+149961-52-4,CON=C(c1ccccc1COc1cc(C)ccc1C)C(=O)NC,non-mutagenic
+149961-52-4,CO/N=C(\c1ccccc1CO)/C(=O)NC,non-mutagenic
+13708-85-5,[O-]P(=O)=O.[Na+].[Na+],non-mutagenic
+82657-04-3,O=C(C1C(C1(C)C)/C=C(/C(F)(F)F)\Cl)OCc1cccc(c1C)c1ccccc1,non-mutagenic
+82560-54-1,CNC(=O)Oc1cccc2c1OC(C2)(C)C,non-mutagenic
+82560-54-1,Oc1cccc2c1OC(C2)(C)C,non-mutagenic
+1563-66-2,CNC(=O)Oc1cccc2c1OC(C2O)(C)C,non-mutagenic
+122-39-4,c1ccc(cc1)Nc1ccccc1,non-mutagenic
+125401-92-5,COc1nc(Oc2cccc(c2C(=O)[O-])Oc2nc(OC)cc(n2)OC)nc(c1)OC.[Na+],non-mutagenic
+125401-92-5,COc1cc(OC)[nH]c(=O)n1,non-mutagenic
+125401-92-5,COc1cc(=O)[nH]c(=O)[nH]1,non-mutagenic
+125401-92-5,COc1cc(OC)nc(n1)Oc1cccc(c1C(=O)O)Oc1nc(OC)c(c(n1)OC)O,non-mutagenic
+125401-92-5,COc1nc(nc(c1)O)Oc1cccc(c1C(=O)[O-])O.[Na+],non-mutagenic
+125401-92-5,COc1cc(OC)nc(n1)Oc1cccc(c1C(=O)O)O,non-mutagenic
+125401-92-5,COc1cc(O)nc(n1)Oc1cccc(c1C(=O)[O-])Oc1nc(OC)cc(n1)OC.[Na+],non-mutagenic
+177406-68-7,Fc1ccc2c(c1)sc(n2)c1nc2c(s1)cc(cc2)F,mutagenic
+99129-21-2,Cl/C=C/CO/N=C(/C1=C(O)CC(CC1=O)CC(SCC)C)\CC,mutagenic
+99129-21-2,CCC(=N)C1=C(O)CC(CC1=O)CC(S(=O)(=O)CC)C,non-mutagenic
+99129-21-2,Cl/C=C/CO/N=C(/C1=C(O)CC(CC1=O)(O)CC(S(=O)(=O)CC)C)\CC,non-mutagenic
+99129-21-2,Cl/C=C/CO/N=C(/C1=C(O)CC(CC1=O)CC(S(=O)(=O)CC)C)\CC,mutagenic
+99129-21-2,CCc1oc2c(n1)C(=O)CC(C2)CC(S(=O)(=O)CC)C,non-mutagenic
+97780-06-8,CCOc1nc(NC(=O)N)nc(n1)NC,non-mutagenic
+97780-06-8,CCOc1nc(NC)nc(n1)N,non-mutagenic
+97780-06-8,CCOc1nc(nc(n1)NC)NC(=O)NS(=O)(=O)c1ccccc1C(=O)O,non-mutagenic
+97780-06-8,CNc1nc(nc(n1)O)NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC,non-mutagenic
+97780-06-8,COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(N)nc(n1)O,non-mutagenic
+97780-06-8,CCOc1nc(nc(n1)N)NC(=O)NS(=O)(=O)c1ccccc1C(=O)O,non-mutagenic
+97780-06-8,OC(=O)c1ccccc1S(=O)(=O)N,non-mutagenic
+97780-06-8,CCOc1nc(N)nc(n1)N,non-mutagenic
+13194-48-4,CCCSP(=O)(SCCC)OCC,non-mutagenic
+3347-22-6,N#Cc1sc2=c(sc1C#N)c(=O)c1c(c2=O)cccc1,non-mutagenic
+1861-32-1,COC(=O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)C(=O)OC,non-mutagenic
+1861-32-1,OC(=O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)C(=O)O,non-mutagenic
+1861-32-1,COC(=O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)C(=O)O,non-mutagenic
+98243-83-5,COC(=O)[C@H](N(c1c(C)cccc1C)C(=O)Cc1ccccc1)C,non-mutagenic
+736994-63-1,N#Cc1cc(C)c(c(c1)C(=O)NC)NC(=O)c1cc(nn1c1ncccc1Cl)Br,non-mutagenic
+736994-63-1,CNC(=O)c1cc(cc(c1NC(=O)c1cc(nn1c1ncccc1Cl)Br)C)C(=O)O,non-mutagenic
+736994-63-1,Brc1nn(c(c1)c1nc(=O)c2c([nH]1)c(C)cc(c2)C(=O)O)c1ncccc1Cl,non-mutagenic
+736994-63-1,CNC(=O)C1=NN=C([CH]1)Br,non-mutagenic
+736994-63-1,N#Cc1cc(C)c2c(c1)c(=O)n1c(n2)c(Cl)ccc1,non-mutagenic
+106-24-1,OCC=C(CCC=C(C)C)C,non-mutagenic
+500008-45-7,CNC(=O)c1cc(Cl)cc(c1NC(=O)c1cc(nn1c1ncccc1Cl)Br)C,non-mutagenic
+500008-45-7,Clc1cc(C)c2c(c1)c(=O)n(c(n2)c1cc(nn1c1ncccc1Cl)Br)C,non-mutagenic
+500008-45-7,Clc1cc(C)c2c(c1)c(=O)n(c(n2)C1=NN=C([CH]1)Br)C,non-mutagenic
+500008-45-7,Clc1cc(C)c2c(c1)c(=O)n1c(n2)c(Cl)ccc1,non-mutagenic
+55285-14-8,CCCCN(SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C)CCCC,non-mutagenic
+1698-60-8,Nc1cnn(c(=O)c1Cl)c1ccccc1,mutagenic
+1698-60-8,Nc1cn[nH]c(=O)c1Cl,non-mutagenic
+1698-60-8,Cn1ncc(c(c1=O)Cl)N,non-mutagenic
+143807-66-3,Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc2c(c1C)CCCO2,non-mutagenic
+143807-66-3,Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc2c(c1C)C(O)CCO2,non-mutagenic
+143807-66-3,O=C1CCc2c(O1)ccc(c2C)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,non-mutagenic
+143807-66-3,Cc1cc(cc(c1)C(=O)O)C(=O)N(C(C)(C)C)NC(=O)c1ccc2c(c1C)C(O)CCO2,non-mutagenic
+999-81-5,ClCC[N+](C)(C)C.[Cl-],non-mutagenic
+400882-07-7,COCCOC(=O)C(C(=O)c1ccccc1C(F)(F)F)(c1ccc(cc1)C(C)(C)C)C#N,non-mutagenic
+400882-07-7,OC(=O)c1ccccc1C(F)(F)F,non-mutagenic
+400882-07-7,NC(=O)c1ccccc1C(F)(F)F,mutagenic
+128639-02-1,CCOC(=O)C(Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C)Cl,non-mutagenic
+128639-02-1,OC(=O)C(Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C)Cl,non-mutagenic
+128639-02-1,Fc1cc(Cl)c(cc1n1nc(n(c1=O)C(F)F)C)C(=O)O,non-mutagenic
+128639-02-1,OC(=O)CCc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C,non-mutagenic
+128639-02-1,OC(=O)/C=C/c1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C,non-mutagenic
+128639-02-1,OC(=O)C(Cc1cc(c(cc1Cl)F)n1ncn(c1=O)C(F)F)Cl,non-mutagenic
+128639-02-1,OC(=O)C(S(=O)(=O)O)Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C,non-mutagenic
+128639-02-1,FC(n1c(C)n[nH]c1=O)F,non-mutagenic
+128639-02-1,OCc1nn(c(=O)n1C(F)F)c1cc(C(=O)O)c(cc1F)Cl,non-mutagenic
+128639-02-1,COc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C,non-mutagenic
+128639-02-1,OC(=O)c1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C(=O)O,non-mutagenic
+330-54-1,O=C(N(C)C)Nc1ccc(c(c1)Cl)Cl,non-mutagenic
+330-54-1,CN(C(=O)Nc1ccc(cc1)Cl)C,non-mutagenic
+330-54-1,Clc1cccc(c1)NC(=O)N(C)C,non-mutagenic
+330-54-1,CN(C(=O)Nc1cc(Cl)cc(c1)Cl)C,non-mutagenic
+101205-02-1,CCO/N=C(/C1=C(O)CC(CC1=O)C1CCCSC1)\CCC,non-mutagenic
+101205-02-1,CCO/N=C(/C1=C(O)CC(CC1=O)(O)C1CCCS(=O)C1)\CCC,non-mutagenic
+101205-02-1,CCO/N=C(/C1=C(O)CC(CC1=O)C1CCCS(=O)C1)\CCC,non-mutagenic
+101205-02-1,OC(=O)CC(C1CCCS(=O)(=O)C1)CC(=O)O,non-mutagenic
+101205-02-1,OC(=O)CC(C1CCCS(=O)C1)CC(=O)O,non-mutagenic
+26225-79-6,CCOC1Oc2c(C1(C)C)cc(cc2)OS(=O)(=O)C,non-mutagenic
+26225-79-6,OC(=O)C(c1cc(ccc1O)OS(=O)(=O)C)(C)C,non-mutagenic
+2921-88-2,CCOP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OCC,non-mutagenic
+2921-88-2,Clc1[nH]c(=O)c(cc1Cl)Cl,non-mutagenic
+10605-21-7,COC(=O)Nc1nc2c([nH]1)cccc2,mutagenic
+10605-21-7,Nc1cc2nc3ccccc3nc2cc1N,mutagenic
+10605-21-7,COC(=O)Nc1nc2c([nH]1)cc(cc2)O,non-mutagenic
+120928-09-8,CC(c1ccc(cc1)CCOc1ncnc2c1cccc2)(C)C,non-mutagenic
+120928-09-8,CC(c1ccc(cc1)C(C)(C)C)O,non-mutagenic
+120928-09-8,O=c1nc[nH]c2c1cccc2,non-mutagenic
+63-25-2,CNC(=O)Oc1cccc2c1cccc2,non-mutagenic
+134098-61-6,Cc1nn(c(c1/C=N/OCc1ccc(cc1)C(=O)OC(C)(C)C)Oc1ccccc1)C,non-mutagenic
+533-74-4,CN1CN(C)CSC1=S,non-mutagenic
+533-74-4,CN=C=S,non-mutagenic
+79241-46-6,CCCCOC(=O)[C@H](Oc1ccc(cc1)Oc1ccc(cn1)C(F)(F)F)C,non-mutagenic
+79241-46-6,O=c1ccc(c[nH]1)C(F)(F)F,mutagenic
+61-82-5,Nc1ncn[nH]1,mutagenic
+131341-86-1,N#Cc1c[nH]cc1c1cccc2c1OC(O2)(F)F,non-mutagenic
+131341-86-1,OC(=O)c1cccc2c1OC(O2)(F)F,non-mutagenic
+131341-86-1,N#CC1=C(C(=O)NC1=O)c1cccc2c1OC(O2)(F)F,non-mutagenic
+131341-86-1,NC(=O)C(c1cccc2c1OC(O2)(F)F)O,non-mutagenic
+131341-86-1,N#CC1C(=O)NC(=O)C1c1cccc2c1OC(O2)(F)F,non-mutagenic
+131341-86-1,N#CC1(OC1(C(=O)N)c1cccc2c1OC(O2)(F)F)C(=O)O,non-mutagenic
+90-43-7,Oc1ccccc1c1ccccc1,mutagenic
+77-06-5,OC(=O)C1C2C3(C4C51CC(=C)C(C5)(O)CC4)C=CC(C2(C)C(=O)O3)O,non-mutagenic
+7440-50-8,ClOCl.[Cu+2],mutagenic
+7440-50-8,[O-]S(=O)(=O)[O-].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-],mutagenic
+7440-50-8,[Cu].[Cu].O,non-mutagenic
+7440-50-8,[O-]S(=O)(=O)[O-].[Cu+2].O.O.O.O.O,non-mutagenic
+7440-50-8,[O-]c1cccc2c1nccc2.[O-]c1cccc2c1nccc2.[Cu+2],mutagenic
+7440-50-8,[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Cu+2].[Cu+2].[Cu+2].[OH-].[OH-],non-mutagenic
+7440-50-8,Cl[Cu]Cl,non-mutagenic
+101463-69-8,O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1F)Oc1ccc(cc1Cl)C(F)(F)F,non-mutagenic
+101463-69-8,NC(=O)Nc1ccc(cc1F)Oc1ccc(cc1Cl)C(F)(F)F,non-mutagenic
+101463-69-8,Clc1cc(ccc1Oc1ccc(c(c1)F)N)C(F)(F)F,mutagenic
+2164-17-2,O=C(N(C)C)Nc1cccc(c1)C(F)(F)F,non-mutagenic
+2164-17-2,CNC(=O)Nc1cccc(c1)C(F)(F)F,non-mutagenic
+62-73-7,COP(=O)(OC=C(Cl)Cl)OC,mutagenic
+62-73-7,[O-]P(=O)(OC)O,non-mutagenic
+119446-68-3,CC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Oc1ccc(cc1)Cl,non-mutagenic
+119446-68-3,Clc1ccc(cc1)Oc1ccc(c(c1)Cl)C(=O)O,non-mutagenic
+119446-68-3,c1ncn[nH]1,non-mutagenic
+119446-68-3,Clc1ccc(cc1)Oc1ccc(c(c1)Cl)C(=O)Cn1cncn1,non-mutagenic
+119446-68-3,Clc1ccc(cc1)Oc1ccc(c(c1)Cl)C(Cn1cncn1)O,non-mutagenic
+60-51-5,CNC(=O)CSP(=S)(OC)OC,mutagenic
+60-51-5,CNC(=O)CSP(=O)(OC)OC,mutagenic
+83121-18-0,O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(c(c1F)Cl)F,non-mutagenic
+83121-18-0,Fc1c(N)cc(c(c1Cl)F)Cl,non-mutagenic
+83121-18-0,NC(=O)Nc1cc(Cl)c(c(c1F)Cl)F,non-mutagenic
+77182-82-2,[O-]C(=O)C(CCP(=O)(O)C)N.[NH4+],non-mutagenic
+77182-82-2,CC(=O)NC(C(=O)O)CCP(=O)(O)C,non-mutagenic
+77182-82-2,OC(=O)CCP(=O)(O)C,non-mutagenic
+77182-82-2,OC(=O)CP(=O)(O)C,non-mutagenic
+100784-20-1,COc1nc(nc(c1)OC)NC(=O)NS(=O)(=O)c1n(C)nc(c1C(=O)OC)Cl,non-mutagenic
+100784-20-1,OC(=O)c1c(Cl)nn(c1S(=O)(=O)N)C,non-mutagenic
+100784-20-1,COc1cc(OC)nc(n1)Cc1n(C)nc(c1C(=O)O)Cl,non-mutagenic
+112281-77-3,Clc1ccc(c(c1)Cl)C(Cn1cncn1)COC(C(F)F)(F)F,non-mutagenic
+112281-77-3,OC(=O)C(c1ccc(cc1Cl)Cl)Cn1cncn1,non-mutagenic
+112281-77-3,OC(=O)Cn1cncn1,non-mutagenic
+112281-77-3,Clc1ccc(c(c1)Cl)C(Cn1cncn1)COC(C(=O)O)(F)F,non-mutagenic
+239110-15-7,Clc1cc(cnc1CNC(=O)c1c(Cl)cccc1Cl)C(F)(F)F,mutagenic
+239110-15-7,NC(=O)c1c(Cl)cccc1Cl,non-mutagenic
+239110-15-7,OC(=O)c1ncc(cc1Cl)C(F)(F)F,non-mutagenic
+239110-15-7,NC(=O)c1c(Cl)ccc(c1Cl)O,non-mutagenic
+239110-15-7,CS(=O)c1cc(cnc1C(=O)O)C(F)(F)F,non-mutagenic
+239110-15-7,OC(=O)c1ccc(cc1S(=O)(=O)O)C(F)(F)F,non-mutagenic
+239110-15-7,Oc1ncc(cc1S(=O)(=O)C)C(F)(F)F,non-mutagenic
+335104-84-2,O=C1CCCC(=O)C1C(=O)c1ccc(c(c1Cl)COCC(F)(F)F)S(=O)(=O)C,non-mutagenic
+335104-84-2,OC(=O)c1ccc(c(c1Cl)COCC(F)(F)F)S(=O)(=O)C,non-mutagenic
+335104-84-2,O=C1C(O)CC(C(=O)C1C(=O)c1ccc(c(c1Cl)COCC(F)(F)F)S(=O)(=O)C)O,non-mutagenic
+335104-84-2,OCc1c(Cl)c(ccc1S(=O)(=O)C)C(=O)O,non-mutagenic
+335104-84-2,O=C1CCCc2c1c(=O)c1c(o2)c(COCC(F)(F)F)c(cc1)S(=O)(=O)C,non-mutagenic
+907204-31-3,Cn1nc(c(c1)C(=O)Nc1ccccc1c1cc(F)c(c(c1)F)F)C(F)F,non-mutagenic
+907204-31-3,Cn1nc(c(c1)C(=O)O)C(F)F,non-mutagenic
+907204-31-3,FC(C1=C(C=N[N]1)C(=O)O)F,non-mutagenic
+907204-31-3,OC[C@H]1O[C@@H](On2nc(c(c2)C(=O)Nc2ccccc2c2cc(F)c(c(c2)F)F)C(F)F)[C@@H]([C@H]([C@@H]1O)O)O,non-mutagenic
+79277-27-3,COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccsc1C(=O)OC,non-mutagenic
+79277-27-3,COc1nc(C)nc(n1)N,non-mutagenic
+79277-27-3,OC(=O)c1sccc1S(=O)(=O)N,non-mutagenic
+79277-27-3,COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccsc1C(=O)O,non-mutagenic
+79277-27-3,NC(=O)Nc1nc(C)nc(n1)C(=O)C,non-mutagenic
+79277-27-3,O=C1NS(=O)(=O)c2c1scc2,non-mutagenic
+79277-27-3,Cc1nc(nc(n1)O)NC(=O)NS(=O)(=O)c1ccsc1C(=O)O,non-mutagenic
+79277-27-3,COC(=O)c1sccc1S(=O)(=O)N,non-mutagenic
+153719-23-4,[O-][N+](=O)/N=C\1/N(Cc2cnc(s2)Cl)COCN1C,non-mutagenic
+153719-23-4,[O-][N+](=O)NC(=NC)NCc1cnc(s1)Cl,non-mutagenic
+153719-23-4,CN1COCN(C1=N)Cc1cnc(s1)Cl,non-mutagenic
+10605-21-7,Nc1nc2c([nH]1)cccc2,non-mutagenic
+133-07-3,ClC(SN1C(=O)c2c(C1=O)cccc2)(Cl)Cl,mutagenic
+145701-23-1,COc1ncc(c2n1nc(n2)S(=O)(=O)Nc1c(F)cccc1F)F,non-mutagenic
+145701-23-1,Fc1cccc(c1NS(=O)(=O)c1nn2c(n1)c(F)cnc2O)F,non-mutagenic
+145701-23-1,OC(=O)c1n[nH]c(n1)S(=O)(=O)N,non-mutagenic
+145701-23-1,NS(=O)(=O)c1ncn[nH]1,non-mutagenic
+82560-54-1,Oc1cccc2c1OC(C2O)(C)C,non-mutagenic
+116255-48-2,Clc1ccc(c(c1)Cl)C1(C=CCO1)Cn1cncn1,non-mutagenic
+131860-33-8,N#Cc1ccccc1Oc1ncnc(c1)Oc1ccccc1C(=O)O,non-mutagenic
+98243-83-5,COC(=O)[C@H](N(c1c(C)cccc1C)C(=O)CC(=O)O)C,non-mutagenic
+98243-83-5,COC(=O)C(N(c1c(C)cccc1C(=O)O)C(=O)CC(=O)O)C,non-mutagenic
+98243-83-5,OC(=O)CC(=O)N(c1c(C)cccc1C(=O)O)C(C(=O)O)C,non-mutagenic
+69327-76-0,CC(N1C(=O)SCN(C1=O)c1ccccc1)C,non-mutagenic
+69327-76-0,CC(N(C(=O)NC(C)(C)C)C(=O)Nc1ccccc1)C,non-mutagenic
+69327-76-0,CC(NC(=O)Nc1ccccc1)C,non-mutagenic
+69327-76-0,CC(N(C(=S)NC(C)(C)C)C(=O)Nc1ccccc1)C,non-mutagenic
+128639-02-1,OCc1nn(c(=O)n1C(F)F)c1cc(CCC(=O)O)c(cc1F)Cl,non-mutagenic
+99129-21-2,CCS(=O)C(CC(CC(=O)O)CC(=O)O)C,non-mutagenic
+99129-21-2,CCS(=O)(=O)C(CC(CC(=O)O)CC(=O)O)C,non-mutagenic
+736994-63-1,Brc1nn(c(c1)C(=O)N)c1ncccc1Cl,non-mutagenic
+122008-85-9,C[C@H](C(=O)O)Oc1ccc(cc1)Oc1ccc(cc1F)C(=O)O,non-mutagenic
+35554-44-0,C=CCOC(c1ccc(cc1Cl)Cl)Cn1cncc1,non-mutagenic
+81335-37-7,CC(C1(C)N=C(NC1=O)c1nc2ccccc2cc1C(=O)O)C,non-mutagenic
+138261-41-3,[O-][N+](=O)/N=C/1\NCCN1Cc1ccc(nc1)Cl,non-mutagenic
+125225-28-7,CC(C1CCC(C1(O)Cn1ncnc1)Cc1ccc(cc1)Cl)C,non-mutagenic
+143390-89-0,CO/N=C(\c1ccccc1COc1ccccc1C)/C(=O)OC,non-mutagenic
+143390-89-0,CO/N=C(\c1ccccc1COc1ccccc1CO)/C(=O)O,non-mutagenic
+143390-89-0,CO/N=C(\c1ccccc1COc1ccc(cc1C)O)/C(=O)O,non-mutagenic
+143390-89-0,CO/N=C(\c1ccccc1COc1cc(O)ccc1C)/C(=O)O,non-mutagenic
+,CC(OC(=O)NC(C(=O)NC(c1ccc(cc1)C)C)C(C)C)C,non-mutagenic
+82558-50-7,CCC(c1noc(c1)NC(=O)c1c(OC)cccc1OC)(CC)C,non-mutagenic
+,Cc1ccc(cc1)C(N)C,non-mutagenic
+138261-41-3,[O-][N+](=O)NC1=NCC(N1Cc1ccc(nc1)Cl)O,non-mutagenic
+138261-41-3,[O-][N+](=O)NC1=NC(CN1Cc1ccc(nc1)Cl)O,non-mutagenic
+138261-41-3,[O-][N+](=O)Nc1nccn1Cc1ccc(nc1)Cl,non-mutagenic
+138261-41-3,O=N/N=C/1\NCCN1Cc1ccc(nc1)Cl,non-mutagenic
+82558-50-7,CCc1noc(c1)NC(=O)c1c(OC)cccc1OC,non-mutagenic
+82558-50-7,COc1cccc(c1C(=O)N)OC,non-mutagenic
+2164-08-1,O=c1[nH]c2CCCc2c(=O)n1C1CCCCC1,non-mutagenic
+7720-78-7,[O-]S(=O)(=O)[O-].[Fe+2],non-mutagenic
+143390-89-0,CO/N=C(\c1ccccc1COc1ccccc1C)/C(=O)O,non-mutagenic
+881685-58-1,CC(C1C2CCC1c1c2cccc1NC(=O)c1cn(nc1C(F)F)C)C,non-mutagenic
+881685-58-1,Cn1nc(c(c1)C(=O)Nc1cccc2c1[C@@H]1CC[C@H]2[C@@H]1C(O)(C)C)C(F)F,non-mutagenic
+881685-58-1,Cn1nc(c(c1)C(=O)Nc1cccc2c1[C@H]1CC[C@@H]2[C@H]1C(O)(C)C)C(F)F,non-mutagenic
+121-75-5,CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC,non-mutagenic
+133-32-4,OC(=O)CCCc1c[nH]c2c1cccc2,non-mutagenic
+108-62-3,CC1OC(C)OC(OC(O1)C)C,non-mutagenic
+3060-89-7,CON(C(=O)Nc1ccc(cc1)Br)C,non-mutagenic
+137641-05-5,Fc1ccc(cc1)NC(=O)c1cccc(n1)Oc1cccc(c1)C(F)(F)F,non-mutagenic
+34123-59-6,O=C(N(C)C)Nc1ccc(cc1)C(C)C,mutagenic
+1918-02-1,OC(=O)c1nc(Cl)c(c(c1Cl)N)Cl,non-mutagenic
+95737-68-1,CC(Oc1ccccn1)COc1ccc(cc1)Oc1ccccc1,non-mutagenic
+52888-80-9,CCCN(C(=O)SCc1ccccc1)CCC,non-mutagenic
+688046-61-9,COc1c(OC)cc(c(c1OC)C(=O)c1c(OC)ncc(c1C)Cl)C,non-mutagenic
+688046-61-9,[CH2]OC1C(=C(O)C=C([C]1C(=O)c1c(OC)ncc(c1C)Cl)C)OC,non-mutagenic
+96489-71-3,O=c1c(Cl)c(SCc2ccc(cc2)C(C)(C)C)cnn1C(C)(C)C,non-mutagenic
+96489-71-3,OC(=O)C(c1ccc(cc1)CSc1cnn(c(=O)c1Cl)C(C)(C)C)(C)C,non-mutagenic
+131-72-6,CCCCCCC(c1cc(cc(c1OC(=O)C=CC)[N+](=O)[O-])[N+](=O)[O-])C,non-mutagenic
+24307-26-4,C[N+]1(C)CCCCC1.[Cl-],non-mutagenic
+24307-26-4,OC1CC[N+](CC1)(C)C.[Cl-],non-mutagenic
+23135-22-0,CNC(=O)O/N=C(/C(=O)N(C)C)\SC,non-mutagenic
+23135-22-0,CN(C(=O)C#N)C,non-mutagenic
+129630-19-9,CCOC(=O)COc1cc(c(cc1Cl)F)c1nn(c(c1Cl)OC(F)F)C,non-mutagenic
+16752-77-5,CNC(=O)ON=C(SC)C,non-mutagenic
+220899-03-6,COc1c(OC)cc(c(c1OC)C(=O)c1c(OC)ccc(c1C)Br)C,non-mutagenic
+127277-53-6,CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].[Ca+2],non-mutagenic
+189278-12-4,CCCn1c(OCCC)nc2c(c1=O)cc(cc2)I,non-mutagenic
+189278-12-4,CCCn1c(OCCC)nc2c(c1=O)cccc2,non-mutagenic
+53112-28-0,Cc1cc(C)nc(n1)Nc1ccccc1,non-mutagenic
+53112-28-0,Cc1cc(C)nc(n1)N,non-mutagenic
+19666-30-9,CC(Oc1cc(c(cc1Cl)Cl)n1nc(oc1=O)C(C)(C)C)C,mutagenic
+2032-65-7,CNC(=O)Oc1cc(C)c(c(c1)C)SC,non-mutagenic
+8003-34-7,C=CC=CCC1=C(C)C(CC1=O)OC(=O)C1C(C1(C)C)C=C(C)C.C=CC=CCC1=C(C)C(CC1=O)OC(=O)C1C(C1(C)C)C=C(C(=O)OC)C,non-mutagenic
+41394-05-2,Cc1nnc(c(=O)n1N)c1ccccc1,non-mutagenic
+41394-05-2,Cc1n[n+]([O-])c(c(=O)n1N)c1ccccc1,mutagenic
+70630-17-0,COCC(=O)N(c1c(C)cccc1C)C(C(=O)OC)C,non-mutagenic
+374726-62-2,C#CCOC(c1ccc(cc1)Cl)C(=O)NCCc1ccc(c(c1)OC)OCC#C,non-mutagenic
+374726-62-2,C#CCOC(c1ccc(cc1)Cl)C(=O)NCCC(=O)O,non-mutagenic
+103055-07-8,O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(cc1Cl)OC(C(C(F)(F)F)F)(F)F,non-mutagenic
+103055-07-8,FC(C(Oc1cc(Cl)c(cc1Cl)N)(F)F)C(F)(F)F,non-mutagenic
+139528-85-1,COc1cc(OC)n2c(n1)nc(n2)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,non-mutagenic
+139528-85-1,NC1=NN=C([N]1)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,non-mutagenic
+139528-85-1,COc1cc(O)n2c(n1)nc(n2)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,non-mutagenic
+139528-85-1,Oc1cc(O)n2c(n1)nc(n2)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,non-mutagenic
+139968-49-3,N#Cc1ccc(cc1)CC(=NNC(=O)Nc1ccc(cc1)OC(F)(F)F)c1cccc(c1)C(F)(F)F,non-mutagenic
+139968-49-3,N#Cc1ccc(cc1)C1(O)N(C(=O)NN=C1c1cccc(c1)C(F)(F)F)c1ccc(cc1)OC(F)(F)C,non-mutagenic
+139968-49-3,OC(=O)c1cccc(c1)C(F)(F)F,non-mutagenic
+139968-49-3,N#Cc1ccc(cc1)CC(=O)c1cccc(c1)C(F)(F)F,non-mutagenic
+139968-49-3,N#Cc1ccc(cc1)C(=O)O,non-mutagenic
+422556-08-9,COc1cc(OC)n2c(n1)nc(n2)NS(=O)(=O)c1c(OC)nccc1C(F)(F)F,non-mutagenic
+422556-08-9,COc1nc2nc(nn2c(c1Cl)O)NS(=O)(=O)c1c(OC)nccc1C(F)(F)F,non-mutagenic
+422556-08-9,COc1nccc(c1S(=O)(=O)O)C(F)(F)F,non-mutagenic
+422556-08-9,COc1nccc(c1S(=O)(=O)N)C(F)(F)F,non-mutagenic
+178928-70-6,Clc1ccccc1CC(C1(Cl)CC1)(Cn1[nH]cnc1=S)O,non-mutagenic
+178928-70-6,Clc1ccccc1CC(C1(Cl)CC1)(Cn1nccc1S(=O)(=O)O)O,non-mutagenic
+178928-70-6,Clc1ccccc1CC(C1(Cl)CC1)(Cn1nc[nH]c1=O)O,non-mutagenic
+178928-70-6,Clc1ccccc1C(C(C1(Cl)CC1)(Cn1cncn1)O)O,non-mutagenic
+178928-70-6,CC(=O)OC(C(C1(Cl)CC1)(Cn1cncn1)O)c1ccccc1Cl,non-mutagenic
+178928-70-6,OCC(C1(Cl)CC1)(Cc1ccccc1Cl)O,non-mutagenic
+219714-96-2,COc1ncc(c2n1nc(n2)NS(=O)(=O)c1c(cccc1C(F)(F)F)OCC(F)F)OC,non-mutagenic
+219714-96-2,COc1cnc(n2c1nc(n2)NS(=O)(=O)c1c(cccc1C(F)(F)F)OCC(F)F)O,non-mutagenic
+219714-96-2,FC(COc1cccc(c1S(=O)(=O)Nc1nnc([nH]1)C(=O)O)C(F)(F)F)F,non-mutagenic
+219714-96-2,FC(COc1cccc(c1S(=O)(=O)NC1=NN=C[N]1)C(F)(F)F)F,non-mutagenic
+55512-33-9,CCCCCCCCSC(=O)Oc1cc(Cl)nnc1c1ccccc1,non-mutagenic
+55512-33-9,Clc1nnc(c(c1)O)c1ccccc1,non-mutagenic
+55512-33-9,COc1cc(Cl)nnc1c1ccccc1,non-mutagenic
+94125-34-5,COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1CCC(F)(F)F,non-mutagenic
+94125-34-5,NC(=N)NC(=O)NS(=O)(=O)c1ccccc1CCC(F)(F)F,non-mutagenic
+94125-34-5,FC(CCc1ccccc1S(=O)(=O)N)(F)F,non-mutagenic
+179101-81-6,ClC(=CCOc1cc(Cl)c(c(c1)Cl)OCCCOc1cccc(n1)C(F)(F)F)Cl,non-mutagenic
+179101-81-6,O=c1[nH]cc(cc1O)C(F)(F)F,mutagenic
+19044-88-3,CCCN(c1c(cc(cc1[N+](=O)[O-])S(=O)(=O)N)[N+](=O)[O-])CCC,non-mutagenic
+91465-08-6,N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H]1[C@@H](C1(C)C)/C=C(/C(F)(F)F)\Cl,non-mutagenic
+91465-08-6,Cl/C(=C\[C@H]1[C@H](C1(C)C)C(=O)O)/C(F)(F)F,non-mutagenic
+91465-08-6,Cl/C(=C\[C@@H]1[C@@H](C1(C)C)C(=O)O)/C(F)(F)F,non-mutagenic
+91465-08-6,NC(=O)C(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)/C=C(/C(F)(F)F)\Cl,non-mutagenic
+91465-08-6,N#CC(c1cccc(c1)Oc1ccccc1)O,non-mutagenic
+91465-08-6,OCc1cccc(c1)Oc1ccccc1,non-mutagenic
+91465-08-6,OC(=O)C(c1cccc(c1)Oc1ccccc1)O,non-mutagenic
+123312-89-0,CC1=NNC(=O)N(C1)N=Cc1cccnc1,non-mutagenic
+123312-89-0,CC1=NNC(=O)N(C1)N,non-mutagenic
+123312-89-0,O=Cc1cccnc1,non-mutagenic
+111479-05-1,O=C([C@H](Oc1ccc(cc1)Oc1cnc2c(n1)ccc(c2)Cl)C)OCCO/N=C(\C)/C,non-mutagenic
+25606-41-1,CCCOC(=O)NCCC[NH+](C)C.[Cl-],non-mutagenic
+21087-64-9,CSc1nnc(c(=O)n1N)C(C)(C)C,non-mutagenic
+21087-64-9,O=c1[nH]c(=O)[nH]nc1C(C)(C)C,non-mutagenic
+55219-65-3,NC(C(=O)O)Cc1ncn[nH]1,non-mutagenic
+67747-09-5,CCCN(C(=O)n1cncc1)CCOc1c(Cl)cc(cc1Cl)Cl,non-mutagenic
+67747-09-5,CCCN(C(=O)N)CCOc1c(Cl)cc(cc1Cl)Cl,non-mutagenic
+67747-09-5,CCCN(C(=O)NC=O)CCOc1c(Cl)cc(cc1Cl)Cl,non-mutagenic
+23103-98-2,CN(C(=O)Oc1nc(nc(c1C)C)N(C)C)C,non-mutagenic
+23103-98-2,CNc1nc(C)c(c(n1)O)C,non-mutagenic
+23103-98-2,CN(c1nc(C)c(c(n1)O)C)C,non-mutagenic
+29232-93-7,CCN(c1nc(cc(n1)C)OP(=S)(OC)OC)CC,mutagenic
+141112-29-0,O=C(c1ccc(cc1S(=O)(=O)C)C(F)(F)F)c1cnoc1C1CC1,non-mutagenic
+141112-29-0,N#CC(C(=O)c1ccc(cc1S(=O)(=O)C)C(F)(F)F)C(=O)C1CC1,non-mutagenic
+141112-29-0,OC(=O)c1ccc(cc1S(=O)(=O)C)C(F)(F)F,non-mutagenic
+243973-20-8,CCc1cc(C)cc(c1c1c(OC(=O)C(C)(C)C)n2n(c1=O)CCOCC2)CC,non-mutagenic
+243973-20-8,CCc1cc(C)cc(c1C1(O)C(=O)N2N(C1=O)CCOCC2)CC,non-mutagenic
+243973-20-8,CCc1cc(cc(c1c1c(O)n2n(c1=O)CCOCC2)CC)C(=O)O,non-mutagenic
+243973-20-8,CCc1cc(CO)cc(c1C1(O)C(=O)N2N(C1=O)CCOCC2)CC,non-mutagenic
+66063-05-6,Clc1ccc(cc1)CN(C(=O)Nc1ccccc1)C1CCCC1,non-mutagenic
+66063-05-6,Clc1ccc(cc1)CNC1CCCC1,non-mutagenic
+2310-17-0,CCOP(=S)(SCn1c(=O)oc2c1ccc(c2)Cl)OCC,non-mutagenic
+2310-17-0,Clc1ccc2c(c1)oc1-c(n2)cc(c(=O)c1)N,mutagenic
+494793-67-8,CC(CC(c1ccccc1NC(=O)c1c(C)nn(c1F)C)C)C,non-mutagenic
+494793-67-8,CC(c1ccccc1NC(=O)c1c(C)nn(c1F)C)CC(O)(C)C,non-mutagenic
+494793-67-8,O=C(c1c(C)nn(c1F)C)Nc1ccccc1C(=O)C,non-mutagenic
+42874-03-3,CCOc1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)C(F)(F)F,mutagenic
+76738-62-0,OC(C(C)(C)C)C(n1ncnc1)Cc1ccc(cc1)Cl,non-mutagenic
+76738-62-0,OC(C(=O)O)Cn1cncn1,non-mutagenic
+213464-77-8,COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)Nc1ccccc1C(=O)N(C)C,non-mutagenic
+213464-77-8,O=C(c1ccccc1NS(=O)(=O)O)N(C)C,non-mutagenic
+213464-77-8,COc1nc(NC(=O)N)nc(c1)OC,non-mutagenic
+213464-77-8,COc1nc(NC(=O)NOS(=O)Nc2ccccc2C(=O)N(C)C)nc(c1)O,non-mutagenic
+732-11-6,COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC,mutagenic
+,[O-]P([O-])[O-].[K+].[K+].[K+],non-mutagenic
+39148-24-8,[O-][P+](=O)OCC.[O-][P+](=O)OCC.[O-][P+](=O)OCC.[Al+3],non-mutagenic
+39148-24-8,OP(O)O,non-mutagenic
+301-12-2,CCS(=O)CCSP(=O)(OC)OC,mutagenic
+88671-89-0,CCCCC(c1ccc(cc1)Cl)(Cn1cncn1)C#N,non-mutagenic
+88671-89-0,N#CC(c1ccc(cc1)Cl)(Cn1cncn1)CC(=O)O,non-mutagenic
+67129-08-2,ClCC(=O)N(c1c(C)cccc1C)Cn1cccn1,non-mutagenic
+67129-08-2,NC(=O)C(=O)N(c1c(C)cccc1C)Cn1cccn1,non-mutagenic
+67129-08-2,O=C(N(c1c(C)cccc1C)Cn1cccn1)CS(=O)(=O)O,non-mutagenic
+67129-08-2,[Na]OS(=O)(=O)CC(=O)N(c1c(C)cccc1C)Cn1cccn1,non-mutagenic
+67129-08-2,O=S(CC(=O)N(c1c(C)cccc1C)Cn1cccn1)CC(=O)O,non-mutagenic
+67129-08-2,CS(=O)CC(=O)N(c1c(C)cccc1C)Cn1cccn1,non-mutagenic
+67129-08-2,OC(=O)C(=O)N(c1c(C)cccc1C(=O)O)Cn1cccn1,non-mutagenic
+67129-08-2,O=S(CC(C(=O)O)O)CC(=O)N(c1c(C)cccc1C)Cn1cccn1,non-mutagenic
+66246-88-6,CCCC(c1ccc(cc1Cl)Cl)Cn1cncn1,non-mutagenic
+125116-23-6,OC1(Cn2ncnc2)C(CCC1(C)C)Cc1ccc(cc1)Cl,non-mutagenic
+104206-82-8,O=C1CCCC(=O)C1C(=O)c1ccc(cc1[N+](=O)[O-])S(=O)(=O)C,mutagenic
+104206-82-8,O=N(=O)c1cc(ccc1C(=O)O)S(=O)(=O)C,non-mutagenic
+104206-82-8,OC(=O)c1ccc(cc1N)S(=O)(=O)C,non-mutagenic
+137-42-8,[S-]C(=S)NC.[Na+],mutagenic
+137-42-8,CN=C=O,non-mutagenic
+15299-99-7,CCN(C(=O)C(Oc1cccc2c1cccc2)C)CC,non-mutagenic
+15299-99-7,OC(=O)C(Oc1cccc2c1cccc2)C,non-mutagenic
+,CC1=CC[C@@H](CC1)C(=C)C,non-mutagenic
+15299-99-7,O=C1C=C(O)c2c(C1=O)cccc2,non-mutagenic
+34123-59-6,CNC(=O)Nc1ccc(cc1)C(C)C,non-mutagenic
+74223-64-6,COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC,non-mutagenic
+74223-64-6,COC(=O)c1ccccc1S(=O)(=O)NC(=O)N,non-mutagenic
+74223-64-6,COC(=O)c1ccccc1S(=O)(=O)N,non-mutagenic
+111991-09-4,COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1ncccc1C(=O)N(C)C,non-mutagenic
+111991-09-4,CN(C(=O)c1cccnc1S(=O)(=O)N)C,non-mutagenic
+111991-09-4,NC(=N)NC(=O)NS(=O)(=O)c1ncccc1C(=O)N(C)C,non-mutagenic
+111991-09-4,O=C(NS(=O)(=O)c1ncccc1C(=O)N(C)C)NC(=O)N,non-mutagenic
+111991-09-4,CNC(=O)c1cccnc1S(=O)(=O)N,non-mutagenic
+111991-09-4,COc1nc(nc(c1)O)NC(=O)NS(=O)(=O)c1ncccc1C(=O)N(C)C,non-mutagenic
+70630-17-0,COCC(=O)N(c1c(C)cccc1C(=O)O)C(C(=O)O)C,non-mutagenic
+70630-17-0,COCC(=O)N(c1c(C)cccc1C)C(C(=O)O)C,non-mutagenic
+70630-17-0,COCC(=O)Nc1c(C)cccc1C,non-mutagenic
+5915-41-3,CCNc1nc(Cl)nc(n1)NC(C)(C)C,non-mutagenic
+5915-41-3,Nc1nc(nc(n1)O)NC(C)(C)C,non-mutagenic
+5915-41-3,CCNc1nc(O)nc(n1)NC(C)(C)C,non-mutagenic
+5915-41-3,Nc1nc(N)nc(n1)Cl,non-mutagenic
+5915-41-3,Nc1nc(nc(n1)Cl)NC(C)(C)C,non-mutagenic
+5915-41-3,Oc1nc2NC(C(n2c(=O)n1)O)(C)C,non-mutagenic
+5915-41-3,CC(Nc1nc(O)nc(n1)O)(C)C,non-mutagenic
+5915-41-3,Cn1c(O)nc(nc1=O)NC(C)(C)C,non-mutagenic
+121-75-5,CCOC(=O)CC(C(=O)O)SP(=S)(OC)OC,non-mutagenic
+121-75-5,COP(=S)(SC(C(=O)O)CC(=O)O)OC,non-mutagenic
+121-75-5,CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)O,non-mutagenic
+70630-17-0,Cc1cccc(c1N)C,non-mutagenic
+3060-89-7,CNC(=O)Nc1ccc(cc1)Br,non-mutagenic
+3060-89-7,NC(=O)Nc1ccc(cc1)Br,non-mutagenic
+3060-89-7,CONC(=O)Nc1ccc(cc1)Br,non-mutagenic
+15299-99-7,Oc1cccc2c1cccc2,non-mutagenic
+213464-77-8,COc1cc(O)nc(n1)NC(=O)N,non-mutagenic
+34123-59-6,OCC(c1ccc(cc1)NC(=O)N(C)C)C,non-mutagenic
+34123-59-6,O=C(N(C)C)Nc1ccc(cc1)C(O)(C)C,non-mutagenic
+34123-59-6,CC(c1ccc(cc1)NC(=O)N)C,non-mutagenic
+34123-59-6,CC(c1ccc(cc1)NC(=O)N(C)C)C(=O)O,non-mutagenic
+16672-87-0,ClCCP(=O)(O)O,non-mutagenic
+16672-87-0,OCCP(=O)(O)O,non-mutagenic
+21293-29-8,OC(=O)/C=C(\C=C\[C@@]1(O)C(=CC(=O)CC1(C)C)C)/C,non-mutagenic
+7681-52-9,[O-]Cl.[Na+],mutagenic
+2699-79-8,FS(=O)(=O)F,non-mutagenic
+99105-77-8,O=C1CCCC(=O)C1C(=O)c1ccc(cc1Cl)S(=O)(=O)C,mutagenic
+99105-77-8,OC(=O)c1ccc(cc1Cl)S(=O)(=O)C,non-mutagenic
+141776-32-1,COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1n2ccccc2nc1S(=O)(=O)CC,non-mutagenic
+141776-32-1,CCS(=O)(=O)c1nc2n(c1S(=O)(=O)NC(=O)NC(=N)N)cccc2,non-mutagenic
+141776-32-1,CCS(=O)(=O)c1nc2n(c1S(=O)(=O)NC(=O)NC(=O)N)cccc2,non-mutagenic
+107534-96-3,Clc1ccc(cc1)CCC(C(C)(C)C)(Cn1cncn1)O,non-mutagenic
+119168-77-3,CCc1nn(c(c1Cl)C(=O)NCc1ccc(cc1)C(C)(C)C)C,non-mutagenic
+119168-77-3,CCc1nn(c(c1Cl)C(=O)Nc1ccc(cc1)C(C(=O)O)(C)C)C,non-mutagenic
+119168-77-3,CCc1nn(c(c1Cl)C(=O)N)C,non-mutagenic
+148-79-8,c1scc(n1)c1nc2c([nH]1)cccc2,non-mutagenic
+89-83-8,Cc1ccc(c(c1)O)C(C)C,non-mutagenic
+57018-04-9,COP(=S)(Oc1c(Cl)cc(cc1Cl)C)OC,non-mutagenic
+210631-68-8,Cc1c(ccc(c1C1=NOCC1)S(=O)(=O)C)C(=O)c1c[nH]n(c1=O)C,mutagenic
+210631-68-8,OC(=O)c1ccc(c(c1C)C1=NOCC1)S(=O)(=O)C,non-mutagenic
+72459-58-6,Clc1ccc2c(c1)[n+]([O-])nc(n2)n1cncc1,non-mutagenic
+101200-48-0,COc1nc(C)nc(n1)N(C(=O)NS(=O)(=O)c1ccccc1C(=O)OC)C,non-mutagenic
+52-68-6,COP(=O)(C(C(Cl)(Cl)Cl)O)OC,non-mutagenic
+55335-06-3,OC(=O)COc1nc(Cl)c(cc1Cl)Cl,non-mutagenic
+55335-06-3,CCCCOCCOC(=O)COc1nc(Cl)c(cc1Cl)Cl,non-mutagenic
+99387-89-0,CCCOCC(=Nc1ccc(cc1C(F)(F)F)Cl)n1cncc1,non-mutagenic
+95266-40-3,CCOC(=O)C1CC(=O)C(=C(C2CC2)O)C(=O)C1,non-mutagenic
+95266-40-3,OC(=O)C(CC(=O)O)CC(=O)O,non-mutagenic
+95266-40-3,O=C(/C=C(/C1CC1)\O)CC(C(=O)O)CC(=O)O,non-mutagenic
+95266-40-3,O=C(c1c(O)cc(cc1O)C(=O)O)C1CC1,non-mutagenic
+131983-72-7,OC1(Cn2ncnc2)C(=Cc2ccc(cc2)Cl)CCC1(C)C,non-mutagenic
+131983-72-7,O[C@@H](C1/C(=C/c2ccc(cc2)Cl)/[C@@H](CC1(C)C)O)Cn1cncn1,non-mutagenic
+131983-72-7,OC1(Cn2ncnc2)/C(=C/c2ccc(cc2)Cl)/CCC1(C)C,non-mutagenic
+283159-90-0,COC(=O)CC(c1ccc(cc1)Cl)NC(=O)[C@H](C(C)C)NC(=O)OC(C)C,non-mutagenic
+283159-90-0,OC(=O)CC(c1ccc(cc1)Cl)NC(=O)[C@H](C(C)C)NC(=O)OC(C)C,non-mutagenic
+1582-09-8,CCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CCC,non-mutagenic
+130561-48-7,COCCOc1cccc2c1c(=O)c(nn2c1ccc(cc1)Cl)C(=O)O,non-mutagenic
+130561-48-7,OCCOc1cccc2c1c(=O)c(nn2c1ccc(cc1)Cl)C(=O)O,non-mutagenic
+82097-50-5,ClCCOc1ccccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(n1)OC,non-mutagenic
+82097-50-5,COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)O,non-mutagenic
+87820-88-0,CCONC(=C1C(=O)CC(CC1=O)c1c(C)cc(cc1C)C)CC,non-mutagenic
+122931-48-0,COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1ncccc1S(=O)(=O)CC,non-mutagenic
+122931-48-0,CCS(=O)(=O)c1cccnc1S(=O)(=O)N,non-mutagenic
+122931-48-0,COc1cc(OC)nc(n1)N(c1ncccc1S(=O)(=O)CC)C(=O)N,non-mutagenic
+935545-74-7,CCO[C@H]1[C@@H](OC)[C@H](OC2C[C@@H]3[C@@H](C2)[C@@H]2C=C4C([C@@H]2CC3)CC(=O)O[C@@H](CC)CCC[C@@H]([C@H](C4=O)C)O[C@H]2CC[C@@H]([C@H](O2)C)N(C)C)O[C@H]([C@@H]1OC)C,non-mutagenic
+935545-74-7,CCO[C@H]1[C@@H](OC)[C@H](O[C@@H]2C[C@@H]3[C@@H](C2)[C@@H]2C=C4[C@H]([C@@H]2CC3)CC(=O)O[C@@H](CC)CCC[C@@H]([C@H](C4=O)C)OC2CC[C@@H]([C@H](O2)C)NC)O[C@H]([C@@H]1OC)C,non-mutagenic
+935545-74-7,O=CN[C@H]1CC[C@@H](O[C@@H]1C)OC1CCC[C@H](CC)OC(=O)C[C@@H]2C(=C[C@@H]3[C@H]2CC[C@H]2[C@H]3C[C@@H](C2)OC2O[C@@H](C)[C@@H]([C@H]([C@H]2OC)OCC)OC)C(=O)[C@@H]1C,non-mutagenic
+935545-74-7,O=CN[C@H]1CC[C@@H](O[C@@H]1C)OC1CCC[C@H](CC)OC(=O)C[C@@H]2C(=C[C@@H]3[C@H]2C=C([C@H]2[C@H]3C[C@@H](C2)OC2O[C@@H](C)[C@@H]([C@H]([C@H]2OC)OCC)OC)C)C(=O)[C@@H]1C,non-mutagenic
+2797-51-5,NC1=C(Cl)C(=O)c2c(C1=O)cccc2,non-mutagenic
+2303-17-5,CC(N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C)C,mutagenic
+2303-17-5,ClC(=C(Cl)Cl)CS(=O)(=O)O,non-mutagenic
+317815-83-1,COC(=O)c1csc(c1S(=O)(=O)NC(=O)n1nc(n(c1=O)C)OC)C,non-mutagenic
+317815-83-1,COc1nn(c(=O)n1C)C(=O)NS(=O)(=O)c1c(C)scc1C(=O)O,non-mutagenic
+317815-83-1,COC(=O)c1csc(c1S(=O)(=O)N)C,non-mutagenic
+317815-83-1,COC(=O)c1csc(c1S(=O)(=O)NC(=O)n1nc([nH]c1=O)OC)C,non-mutagenic
+64628-44-0,O=C(NC(=O)c1ccccc1Cl)Nc1ccc(cc1)OC(F)(F)F,non-mutagenic
+64628-44-0,FC(Oc1ccc(cc1)N)(F)F,non-mutagenic
+131807-57-3,O=C1OC(C(=O)N1Nc1ccccc1)(C)c1ccc(cc1)Oc1ccccc1,non-mutagenic
+100646-51-3,CCOC(=O)[C@H](Oc1ccc(cc1)Oc1cnc2c(n1)ccc(c2)Cl)C,non-mutagenic
+119738-06-6,Clc1ccc2c(c1)ncc(n2)Oc1ccc(cc1)OC(C(=O)OCC1CCCO1)C,non-mutagenic
+173159-57-4,O=CNc1ccc(c(c1)S(=O)(=O)NC(=O)Nc1nc(OC)cc(n1)OC)C(=O)N(C)C,non-mutagenic
+102851-06-9,N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H](C(C)C)Nc1ccc(cc1Cl)C(F)(F)F,non-mutagenic
+102851-06-9,Nc1ccc(cc1Cl)C(F)(F)F,non-mutagenic
+102851-06-9,CC(C(C(=O)O)Nc1ccc(cc1Cl)C(F)(F)F)C,non-mutagenic
+102851-06-9,N#CC(C(C(C)C)Nc1ccc(cc1Cl)C(F)(F)F)c1cccc(c1)Oc1ccccc1,non-mutagenic
+67233-85-6,COc1ccc(cc1[O-])[N+](=O)[O-].[Na+],non-mutagenic
+824-39-5,[O-][N+](=O)c1ccccc1[O-].[Na+],non-mutagenic
+824-78-2,[O-]c1ccc(cc1)[N+](=O)[O-].[Na+],non-mutagenic
+148477-71-8,CCC(C(=O)OC1=C(C(=O)OC21CCCCC2)c1cc(Cl)cc(c1)Cl)(C)C,non-mutagenic
+731-27-1,OC[C@H]1O[C@@H](OCc2ccc(cc2)NS(=O)(=O)N(C)C)C[C@@H]([C@@H]([C@@H]1O)O)O,non-mutagenic
+731-27-1,Cc1ccc(cc1)N(S(=O)(=O)N(C)C)SC(Cl)(Cl)F,non-mutagenic
+731-27-1,OCc1ccc(cc1)NS(=O)(=O)N(C)C,non-mutagenic
+731-27-1,OCC1OC(Oc2cc(C)ccc2NS(=O)(=O)N(C)C)C(C(C1O)O)O,non-mutagenic
+731-27-1,Cc1ccc(c(c1)O)NS(=O)(=O)N(C)C,non-mutagenic
+283594-90-1,O=C(CC(C)(C)C)OC1=C(C(=O)OC21CCCC2)c1c(C)cc(cc1C)C,non-mutagenic
+118134-30-8,CCCN(CC1COC2(O1)CCC(CC2)C(C)(C)C)CC,non-mutagenic
+118134-30-8,CCC[N+](CC1COC2(O1)CCC(CC2)C(C)(C)C)(CC)[O-],non-mutagenic
+126833-17-8,O=C(C1(C)CCCCC1)Nc1ccc(c(c1Cl)Cl)O,non-mutagenic
+203313-25-1,CCOC(=O)OC1=C(C(=O)NC21CCC(CC2)OC)c1cc(C)ccc1C,non-mutagenic
+203313-25-1,COC1CCC2(CC1)NC(=O)C(C2=O)(O)c1cc(C)ccc1C,non-mutagenic
+203313-25-1,OC1CCC2(CC1)NC(=O)C(C2=O)(O)c1cc(C)ccc1C,non-mutagenic
+203313-25-1,OC1CCC2(CC1)NC(=O)C(C2O)(O)c1cc(C)ccc1C,non-mutagenic
+203313-25-1,COC1CCC2(CC1)NC(=O)C(C2O)c1cc(C)ccc1C,non-mutagenic
+79622-59-6,Clc1cc(cnc1Nc1c(cc(c(c1[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F,non-mutagenic
+79622-59-6,Clc1cc(cnc1Nc1c(cc(c(c1[N+](=O)[O-])O)C(F)(F)F)[N+](=O)[O-])C(F)(F)F,mutagenic
+79622-59-6,Clc1cc(cnc1Nc1c(cc(c(c1N)Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F,non-mutagenic
+161326-34-7,CSC1=NC(C(=O)N1Nc1ccccc1)(C)c1ccccc1,non-mutagenic
+161326-34-7,O=C1NC(=O)N[C@@]1(C)c1ccccc1,non-mutagenic
+161326-34-7,O=C1N[C@@](C(=O)N1Nc1ccccc1)(C)c1ccccc1,non-mutagenic
+161326-34-7,CSC1=N[C@@](C(=O)N1)(C)c1ccccc1,non-mutagenic
+72490-01-8,CCOC(=O)NCCOc1ccc(cc1)Oc1ccccc1,non-mutagenic
+22224-92-6,CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C,non-mutagenic
+13356-08-6,CC(c1ccccc1)(C[Sn](O[Sn](CC(c1ccccc1)(C)C)(CC(c1ccccc1)(C)C)CC(c1ccccc1)(C)C)(CC(c1ccccc1)(C)C)CC(c1ccccc1)(C)C)C,non-mutagenic
+122-14-5,COP(=S)(Oc1ccc(c(c1)C)[N+](=O)[O-])OC,mutagenic
+67564-91-4,CC(Cc1ccc(cc1)C(C)(C)C)CN1C[C@H](C)O[C@@H](C1)C,non-mutagenic
+272451-65-7,O=C(c1cccc(c1C(=O)NC(CS(=O)(=O)C)(C)C)I)Nc1ccc(cc1C)C(C(F)(F)F)(C(F)(F)F)F,non-mutagenic
+272451-65-7,O=C(c1ccccc1C(=O)Nc1ccc(cc1C)C(C(F)(F)F)(C(F)(F)F)F)NC(CS(=O)(=O)C)(C)C,non-mutagenic
+272451-65-7,O=C(c1cccc(c1C(=O)NC(CS(=O)(=O)C)(C)C)O)Nc1ccc(cc1C)C(C(F)(F)F)(C(F)(F)F)F,non-mutagenic
+158062-67-0,N#CCNC(=O)c1cnccc1C(F)(F)F,non-mutagenic
+158062-67-0,OC(=O)c1cnccc1C(F)(F)F,non-mutagenic
+158062-67-0,NC(=O)c1cnccc1C(F)(F)F,non-mutagenic
+158062-67-0,O=C(c1cnccc1C(F)(F)F)NCC(=O)O,non-mutagenic
+158062-67-0,O=C(c1cnccc1C(F)(F)F)NCC(=O)N,non-mutagenic
+158062-67-0,Oc1ncc(c(c1)C(F)(F)F)C(=O)O,non-mutagenic
+361377-29-9,CO/N=C(\c1ccccc1Oc1ncnc(c1F)Oc1ccccc1Cl)/C1=NOCCO1,non-mutagenic
+361377-29-9,CO/N=C(\c1ccccc1Oc1ncnc(c1F)O)/C1=NOCCO1,non-mutagenic
+67306-00-7,CC(Cc1ccc(cc1)C(C)(C)C)CN1CCCCC1,non-mutagenic
+67306-00-7,CC(C[N+]1([O-])CCCCC1)Cc1ccc(cc1)C(C)(C)C,non-mutagenic
+136426-54-5,Clc1ccc(c(c1)Cl)n1c(nc2c(c1=O)cc(cc2)F)n1cncn1,non-mutagenic
+136426-54-5,Clc1ccc(c(c1)Cl)n1c(=O)[nH]c2c(c1=O)cc(cc2)F,non-mutagenic
+103361-09-7,C#CCN1C(=O)COc2c1cc(c(c2)F)N1C(=O)C2=C(C1=O)CCCC2,non-mutagenic
+90717-03-6,Cc1cnc2c(c1)ccc(c2C(=O)O)Cl,non-mutagenic
+90717-03-6,OC(=O)c1c(Cl)ccc2c1nc(O)c(c2)C,non-mutagenic
+90717-03-6,OC(=O)c1cnc2c(c1)ccc(c2C(=O)O)Cl,mutagenic
+946578-00-3,N#CN=S(=O)(C(c1ccc(nc1)C(F)(F)F)C)C,non-mutagenic
+946578-00-3,NC(=O)N=S(=O)(C(c1ccc(nc1)C(F)(F)F)C)C,non-mutagenic
+946578-00-3,CC(c1ccc(nc1)C(F)(F)F)O,non-mutagenic
+946578-00-3,CCc1ccc(nc1)C(F)(F)F,non-mutagenic
+946578-00-3,CC(S(=O)(=N)C)c1ccc(nc1)C(F)(F)F,non-mutagenic
+946578-00-3,CC(S(=O)(=O)C)c1ccc(nc1)C(F)(F)F,non-mutagenic
+61213-25-0,ClCC1CN(C(=O)C1Cl)c1cccc(c1)C(F)(F)F,non-mutagenic
+23422-53-9,CNC(=O)Oc1cccc(c1)N=CN(C)C.Cl,non-mutagenic
+3878-19-1,c1coc(c1)c1nc2c([nH]1)cccc2,non-mutagenic
+71283-80-2,CCOC(=O)[C@H](Oc1ccc(cc1)Oc1nc2c(o1)cc(cc2)Cl)C,non-mutagenic
+71283-80-2,CCOC(=O)C(Oc1ccc(cc1)Oc1nc2c(o1)cc(cc2)Cl)C,non-mutagenic
+81406-37-3,CCCCCCC(OC(=O)COc1nc(F)c(c(c1Cl)N)Cl)C,non-mutagenic
+10045-86-0,[O-]P(=O)([O-])[O-].[Fe+3],non-mutagenic
+874967-67-6,Cn1nc(c(c1)C(=O)Nc1ccccc1C1CC1C1CC1)C(F)F,non-mutagenic
+66332-96-5,CC(Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F)C,non-mutagenic
+658066-35-4,Clc1cc(cnc1CCNC(=O)c1ccccc1C(F)(F)F)C(F)(F)F,non-mutagenic
+78587-05-0,C[C@@H]1N(C(=O)NC2CCCCC2)C(=O)S[C@H]1c1ccc(cc1)Cl,non-mutagenic
+78587-05-0,C[C@@H]1N(C(=O)N)C(=O)S[C@H]1c1ccc(cc1)Cl,non-mutagenic
+78587-05-0,O=C1CCCC(C1)NC(=O)N1C(=O)SC(C1C)c1ccc(cc1)Cl,non-mutagenic
+78587-05-0,O[C@H]1CCCC[C@@H]1NC(=O)N1C(=O)S[C@H]([C@@H]1C)c1ccc(cc1)Cl,non-mutagenic
+78587-05-0,O[C@@H]1CC[C@H](CC1)NC(=O)N1C(=O)S[C@@H]([C@H]1C)c1ccc(cc1)Cl,non-mutagenic
+78587-05-0,OC1CCCC(C1)NC(=O)N1C(=O)SC(C1C)c1ccc(cc1)Cl,non-mutagenic
+78587-05-0,C[C@@H]1NC(=O)S[C@H]1c1ccc(cc1)Cl,non-mutagenic
+78587-05-0,O[C@@H]1CC[C@@H](CC1)NC(=O)N1C(=O)S[C@H]([C@@H]1C)c1ccc(cc1)Cl,non-mutagenic
+78587-05-0,O=C1CCC(CC1)NC(=O)N1C(=O)S[C@@H]([C@H]1C)c1ccc(cc1)Cl,non-mutagenic
+114369-43-6,N#CC(c1ccccc1)(Cn1cncn1)CCc1ccc(cc1)Cl,non-mutagenic
+114369-43-6,Clc1ccc(cc1)[C@H]1OC(=O)[C@@](C1)(Cn1cncn1)c1ccccc1,non-mutagenic
+114369-43-6,Clc1ccc(cc1)[C@@H]1OC(=O)[C@@](C1)(Cn1cncn1)c1ccccc1,non-mutagenic
+144740-54-5,COc1nc(nc(c1)OC)[N-]C(=O)NS(=O)(=O)c1nc(ccc1C(=O)OC)C(F)(F)F.[Na+],non-mutagenic
+144740-54-5,COc1cc(OC)nc(n1)n1c(=O)[nH]c(=O)c2c1nc(cc2)C(F)(F)F,non-mutagenic
+144740-54-5,COc1cc(O)nc(n1)n1c(=O)[nH]c(=O)c2c1nc(cc2)C(F)(F)F,non-mutagenic
+144740-54-5,OC(=O)c1ccc(nc1S(=O)(=O)N)C(F)(F)F,non-mutagenic
+144740-54-5,COC(=O)c1ccc(nc1S(=O)(=O)N)C(F)(F)F,non-mutagenic
+112410-23-8,CCc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,non-mutagenic
+112410-23-8,Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc(cc1)C(=O)C,non-mutagenic
+112410-23-8,O=C(c1ccc(cc1)C(=O)O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,non-mutagenic
+112410-23-8,CCc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)CO,non-mutagenic
+112410-23-8,O=C(c1ccc(cc1)C(=O)C)NN(C(C)(C)C)C(=O)c1cc(cc(c1)C(=O)O)C(=O)O,non-mutagenic
+112410-23-8,OC(=O)Cc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,non-mutagenic
+112410-23-8,Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc(cc1)C(O)C,non-mutagenic
+112410-23-8,CCc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C=O,non-mutagenic
+79538-32-2,O=C(C1C(C1(C)C)/C=C(/C(F)(F)F)\Cl)OCc1c(F)c(F)c(c(c1F)F)C,non-mutagenic
+120068-37-3,N#Cc1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,non-mutagenic
+120068-37-3,N#Cc1nn(c(c1SC(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,non-mutagenic
+120068-37-3,N#Cc1nn(c(c1S(=O)(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,non-mutagenic
+120068-37-3,N#Cc1nn(c(c1C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,non-mutagenic
+120068-37-3,N#Cc1nn(c(c1S(=O)(=O)O)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,non-mutagenic
+120068-37-3,OC(=O)c1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,non-mutagenic
+120068-37-3,NC(=O)c1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,non-mutagenic
+10004-44-1,Cc1cc(=O)[nH]o1,non-mutagenic
+55219-65-3,OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(cc1)Cl,non-mutagenic
+76674-21-0,Fc1ccc(cc1)C(c1ccccc1F)(Cn1cncn1)O,non-mutagenic
+473798-59-3,C=CCSC(=O)n1c(N)c(c(=O)n1C(C)C)c1ccccc1C,non-mutagenic
+473798-59-3,Cc1ccccc1c1c(N)[nH]n(c1=O)C(C)C,non-mutagenic
+95977-29-0,OC(=O)[C@H](Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F)C,non-mutagenic
+95977-29-0,COC(=O)C(Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F)C,non-mutagenic
+95977-29-0,O=c1[nH]cc(cc1Cl)C(F)(F)F,non-mutagenic
+95977-29-0,Cn1cc(cc(c1=O)Cl)C(F)(F)F,non-mutagenic
+126535-15-7,COC(=O)c1cccc(c1S(=O)(=O)NC(=O)Nc1nc(OCC(F)(F)F)nc(n1)N(C)C)C,non-mutagenic
+126535-15-7,Nc1nc(OCC(F)(F)F)nc(n1)N(C)C,non-mutagenic
+126535-15-7,CNc1nc(OCC(F)(F)F)nc(n1)N,non-mutagenic
+126535-15-7,FC(COc1nc(N)nc(n1)N)(F)F,non-mutagenic
+126535-15-7,O=C1NS(=O)(=O)c2c1cccc2C,non-mutagenic
+1071-83-6,OC(=O)CNCP(=O)(O)O,non-mutagenic
+1071-83-6,NCP(=O)(O)O,non-mutagenic
+96525-23-4,CNC1=C(c2cccc(c2)C(F)(F)F)C(=O)C(O1)c1ccccc1,non-mutagenic
+96525-23-4,OC(=O)C(F)(F)F,non-mutagenic
+59669-26-0,CSC(=NOC(=O)N(SN(C(=O)ON=C(SC)C)C)C)C,non-mutagenic