path: root/data/Carcinogenicity-Mouse.csv

SID,SMILES,Carcinogenicity-Mouse
48413127,C1=CC=C2C(=C1)C3=C(N2)N=C(C=C3)N,carcinogen
48413128,CC1=CC(=O)[N-]S(=O)(=O)O1.[K+],non-carcinogen
48413130,CC=NN(C)C=O,carcinogen
48413132,CC(=O)N,carcinogen
48413133,CC(=O)NC1=CC=C(C=C1)O,carcinogen
48413134,CC(=O)C1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2CCCCC2,non-carcinogen
48413136,CC#N,non-carcinogen
48413138,CC(=O)OC(C=C)C1=CC2=C(C=C1)OCO2,non-carcinogen
48413139,CC(=O)NNC1=CC=C(C=C1)CO,carcinogen
48413140,CC(=O)NNC(=O)C1=CC=NC=C1,carcinogen
48413141,CC1=CC(=O)C(C(=O)O1)C(=O)C,non-carcinogen
48413142,CC(=O)NNC1=CC=CC=C1,carcinogen
48413145,CC(=O)NC1=CC2=C(C=C1)C3=CC=CC=C3C2,carcinogen
48413147,CC(=O)NC1=CC=C(C=C1)CC(=O)O,non-carcinogen
48413149,C1=CC(=C(C=C1C(F)(F)F)Cl)OC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O,carcinogen
48413150,C=CC=O,non-carcinogen
48413156,C=CC#N,carcinogen
48413159,C(CCC(=O)N)CC(=O)N,non-carcinogen
48413160,C1=COC(=C1)C(=CC2=CC=C(O2)[N+](=O)[O-])C(=O)N,carcinogen
48413162,COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4C5C=COC5OC4=C1,non-carcinogen
48413163,COC1=C2C3=C(C(=O)OCC3)C(=O)OC2=C4C5C=COC5OC4=C1,carcinogen
48413166,CC(C)(C=NOC(=O)NC)SC,non-carcinogen
48413167,C1C2C=CC1C3C2C4(C(=C(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl,carcinogen
48413172,C=CCCl,non-carcinogen
48413173,C=CCOCC1CO1,carcinogen
48413174,C=CCN=C=S,non-carcinogen
48413175,CC(C)CC(=O)OCC=C,carcinogen
48413177,C=CCNN.Cl,carcinogen
48413178,[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3].[K+],non-carcinogen
48413179,C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3Br)Br)N,carcinogen
48413180,CCOC1=C(C=C(C=C1)NC(=O)C)N,carcinogen
48413181,CCN1C2=C(C=C(C=C2)N)C3=CC=CC=C31.Cl,carcinogen
48413182,CCN1C2=C(C=C(C=C2)N)C3=CC=CC=C31,carcinogen
48413184,CC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)N,carcinogen
48413187,C1=C(OC(=C1)[N+](=O)[O-])C2=CSC(=N2)N,carcinogen
48413188,C1=C(OC(=C1)[N+](=O)[O-])C=CC2=NOC(=N2)N,carcinogen
48413189,C1=CC(=C(C=C1[N+](=O)[O-])N)O,non-carcinogen
48413190,C1=CC(=C(C=C1[N+](=O)[O-])O)N,non-carcinogen
48413191,C1=CC(=C(C=C1N)[N+](=O)[O-])O,non-carcinogen
48413192,C1=CC(=CC=C1C2=CSC(=N2)N)[N+](=O)[O-],carcinogen
48413193,C1=C(SC(=N1)N)[N+](=O)[O-],non-carcinogen
48413195,C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)N,carcinogen
48413196,CC1=CC=CC=C1N=NC2=CC(=C(C=C2)N)C,non-carcinogen
48413198,C1=CC=C(C=C1)C2=CC=C(C=C2)N,carcinogen
48413200,C1=CC=C2C(=C1)C3=C(O2)C=CC(=C3)N,carcinogen
48413203,C1=NNC(=N1)N,carcinogen
48413204,C(CCCCCN)CCCCC(=O)O,non-carcinogen
48413205,[NH4+].[Cl-],non-carcinogen
48413207,[NH4+].[OH-],non-carcinogen
48413209,CC(CC1=CC=CC=C1)N.CC(CC1=CC=CC=C1)N.OS(=O)(=O)O,non-carcinogen
48413210,CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)C.O.O.O,non-carcinogen
48413213,CC=CC1=CC=C(C=C1)OC,non-carcinogen
48413215,C(C(C1C(C2C(O1)OC(O2)C(Cl)(Cl)Cl)O)O)O,non-carcinogen
48413216,C1=CC=C(C(=C1)NC2=NC(=NC(=N2)Cl)Cl)Cl,non-carcinogen
48413218,C1=CC=C(C=C1)N.Cl,non-carcinogen
48413219,COC1=CC=CC=C1N.Cl,carcinogen
48413220,COC1=CC=C(C=C1)N.Cl,non-carcinogen
48413221,C1=CC=C(C(=C1)C(=O)O)N,non-carcinogen
48413222,C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3C2=O,non-carcinogen
48413223,C12C(O[Sb]3OC(C(O[Sb](O1)OC2=O)C(=O)[O-])C(=O)O3)C(=O)[O-].O.O.O.[K+].[K+],non-carcinogen
48413224,CC(COC1=CC=C(C=C1)C(C)(C)C)OS(=O)OCCCl,carcinogen
48413225,CN1CCC=C(C1)C(=O)OC.Cl,carcinogen
48413229,C1=CC(=C(C(=C1)Cl)Cl)C2=C(C(=C(C=C2)Cl)Cl)Cl,carcinogen
48413232,O1[As]2O[As]3O[As]1O[As](O2)O3,non-carcinogen
48413233,[O-][As]=O.[Na+],non-carcinogen
48413235,C(C(C1C(=C(C(=O)O1)O)O)O)O,non-carcinogen
48413237,CC(=O)OC1=CC=CC=C1C(=O)O,non-carcinogen
48413239,COC1=CC=C(C=C1)CCN2CCC(CC2)NC3=NC4=CC=CC=C4N3CC5=CC=C(C=C5)F,non-carcinogen
48413241,CCNC1=NC(=NC(=N1)Cl)NC(C)C,non-carcinogen
48413243,CN(C)C1=CC=C(C=C1)C(=N)C2=CC=C(C=C2)N(C)C.Cl,carcinogen
48413245,C1=NC(=NC(=O)N1C2C(C(C(O2)CO)O)O)N,carcinogen
48413248,CN1C=NC(=C1SC2=NC=NC3=C2NC=N3)[N+](=O)[O-],carcinogen
48413249,CC1=C(C(C(=C(N1)N)C(=O)OC2CN(C2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC(C)C,non-carcinogen
48413251,COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2N=N1,non-carcinogen
48413252,C1=CC=C(C=C1)N=NC2=CC=CC=C2,non-carcinogen
48413256,CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)N=[N+]=[N-],carcinogen
48413259,CC(=O)[O-].CC(=O)[O-].[Ba+2],non-carcinogen
48413260,O.O.[Cl-].[Cl-].[Ba+2],non-carcinogen
48413262,C1=CC(=CC=C1C(=O)O)NN=C2C=CC(=O)C(=C2)C(=O)O,non-carcinogen
48413263,C1=CC=C(C=C1)C=O,carcinogen
48413264,C1=CC=CC=C1,carcinogen
48413265,C1=CC=C(C=C1)[N+]#N.OS(=O)(=O)[O-],carcinogen
48413266,C1=CC=C(C=C1)S(=O)(=O)NNC(=S)N,non-carcinogen
48413267,C1=CC(=CC=C1C2=CC=C(C=C2)N)N,carcinogen
48413268,C1=CC(=CC=C1C2=CC=C(C=C2)N)N.Cl.Cl,carcinogen
48413269,C1=CC=C2C3=C4C(=CC2=C1)C=CC5=C4C(=CC=C5)C=C3,carcinogen
48413270,C1=CC=C(C=C1)C(=O)[O-].[Na+],non-carcinogen
48413271,C1=CC=C2C(=C1)C=CO2,carcinogen
48413272,C1=CC=C(C=C1)C2=NC(=NC(=N2)N)N,non-carcinogen
48413274,C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)O,non-carcinogen
48413275,C1=CC(=O)C=CC1=O,carcinogen
48413276,C1=CC=C2C(=C1)N=C(S2)SSC3=NC4=CC=CC=C4S3,non-carcinogen
48413277,C1=CC2=NNN=C2C=C1,non-carcinogen
48413278,C1=CC=C(C=C1)C(Cl)(Cl)Cl,carcinogen
48413279,C1=CC=C(C=C1)C(=O)NN,carcinogen
48413280,CC(=O)OCC1=CC=CC=C1,carcinogen
48413281,C1=CC=C(C=C1)CO,non-carcinogen
48413282,C1=CC=C(C=C1)CCl,carcinogen
48413283,C1=CC=C(C=C1)CC2=C(C=CC(=C2)Cl)O,carcinogen
48413286,C1=CC=C(C=C1)CNN.Cl.Cl,carcinogen
48413287,C1=CC=C(C=C1)C[N+]2=NOC(=C2CC(=O)N)[O-],carcinogen
48413288,[Be+2].[O-]S(=O)(=O)[O-],non-carcinogen
48413289,CC1=C(C=CC=C1COC(=O)C2C(C2(C)C)C=C(C(F)(F)F)Cl)C3=CC=CC=C3,non-carcinogen
48413290,C1=CC=C(C=C1)C2=CC=CC=C2,non-carcinogen
48413291,CC(C)(CCCOC1=CC(=C(C=C1)OCCCC(C)(C)C(=O)O)C2=CC=CC=C2)C(=O)O,carcinogen
48413292,C1=CC=C(C=C1)C2=CC=CC=C2N.Cl,carcinogen
48413293,C(C(CO)(CBr)CBr)O,carcinogen
48413294,CC1CC(CC(C1)(OOC(C)(C)C)OOC(C)(C)C)(C)C,non-carcinogen
48413296,CC(CCl)OC(C)CCl,carcinogen
48413297,C(CCl)OCCCl,carcinogen
48413298,C(CCOCCl)COCCl,non-carcinogen
48413299,C(COCCl)OCCl,carcinogen
48413300,C(CCCOCCl)CCOCCl,non-carcinogen
48413301,C1=CC(=CC=C1COCCl)COCCl,carcinogen
48413302,C(OCCl)Cl,carcinogen
48413307,C(CO)N(CCO)C(=S)[S-].[K+],carcinogen
48413309,CN(C)C(=S)S[Bi](SC(=S)N(C)C)SC(=S)N(C)C,non-carcinogen
48413311,CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O,non-carcinogen
48413312,CC(=O)NC1=C2C(=C(C=C1)S(=O)(=O)[O-])C=C(C(=NNC3=C4C=C(C=CC4=C(C=C3)N=NC5=CC=C(C=C5)S(=O)(=O)[O-])S(=O)(=O)[O-])C2=O)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+],non-carcinogen
48413313,C1=CC=C(C=C1)NN=C2C(=CC3=CC(=C(C(=C3C2=O)N)N=NC4=CC=C(C=C4)C5=CC=C(C=C5)N=NC6=C(C=C(C=C6)N)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+],carcinogen
48413316,C1=CC(=C(C=C1C2=CC(=C(C=C2)NN=C3C(=CC4=CC(=CC(=C4C3=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-])O)O)NN=C5C(=CC6=CC(=CC(=C6C5=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Cu].[Cu],carcinogen
48413317,C1=CC(=C2C(=C1N)C(=O)C3=C(C=CC(=C3C2=O)N)N)N,non-carcinogen
48413318,CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)[O-])C=C3)C5=CC=CC=C5S(=O)(=O)[O-].[Na+].[Na+],non-carcinogen
48413319,C1=CC2=C(C=C1S(=O)(=O)[O-])C(=O)C(=C3C(=O)C4=C(N3)C=CC(=C4)S(=O)(=O)[O-])N2.[Na+].[Na+],non-carcinogen
48413320,CNC1=C(C=C(C=C1)N(CCO)CCO)[N+](=O)[O-],carcinogen
48413320,CNC1=C(C=C(C=C1)N(CCO)CCO)[N+](=O)[O-],carcinogen
48413322,C1=CC(=C(C=C1N(CCO)CCO)[N+](=O)[O-])NCCO,non-carcinogen
48413324,B(O)(O)O,non-carcinogen
48413325,[O-]Br(=O)=O.[K+],carcinogen
48413326,C(C=O)Br,non-carcinogen
48413327,CC(C)CC1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CN(C5CC6=C(NC7=CC=CC(=C67)C5=C4)Br)C)O.CS(=O)(=O)O,non-carcinogen
48413328,C(Cl)(Cl)Br,carcinogen
48413329,CCBr,carcinogen
48413330,C(CBr)O,carcinogen
48413333,C=CC=C,carcinogen
48413334,CCCCOCCO,carcinogen
48413335,CC(C)(C)O,carcinogen
48413336,CCCCOC(=O)C1=CC=CC=C1C(=O)OCC2=CC=CC=C2,non-carcinogen
48413337,CCCCCl,non-carcinogen
48413338,CCC(C)C1=CC(=CC(=C1O)[N+](=O)[O-])[N+](=O)[O-],non-carcinogen
48413339,CCCCN(C=O)N,carcinogen
48413340,CCCCOC(=O)C1=CC=C(C=C1)O,non-carcinogen
48413346,CC(C)(C)C1=C(C=CC(=C1)OC)O,carcinogen
48413347,CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C,carcinogen
48413348,CCCCN(CCCC)N,carcinogen
48413349,CCCCNN.Cl,carcinogen
48413350,CCCCNNCCCC.Cl.Cl,carcinogen
48413351,CC(C)(C)C1=C(C=CC(=C1)O)O,non-carcinogen
48413354,CCCCNC(=O)N,non-carcinogen
48413356,C1CC(=O)OC1,non-carcinogen
48413357,CC(=O)[O-].CC(=O)[O-].[Cd+2],non-carcinogen
48413358,[Cl-].[Cl-].[Cd+2],non-carcinogen
48413360,CCN(CC)C(=S)[S-].CCN(CC)C(=S)[S-].[Cd+2],non-carcinogen
48413361,[O-]S(=O)(=O)[O-].[Cd+2],non-carcinogen
48413362,O.O.O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Cd+2].[Cd+2].[Cd+2],non-carcinogen
48413363,C1=CC(=C(C=C1C=CC(=O)O)O)O,carcinogen
48413364,CN1C=NC2=C1C(=O)N(C(=O)N2C)C,non-carcinogen
48413365,CC(C)C(C)C=CC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C,non-carcinogen
48413372,C1CCC(=O)NCC1,non-carcinogen
48413373,CC(C)C=CCCCCC(=O)NCC1=CC(=C(C=C1)O)OC,carcinogen
48413374,C1C=CCC2C1C(=O)N(C2=O)SC(C(Cl)Cl)(Cl)Cl,carcinogen
48413375,C1C=CCC2C1C(=O)N(C2=O)SC(Cl)(Cl)Cl,carcinogen
48413376,C(=O)(N)NN.Cl,carcinogen
48413377,C1=CC=C(C=C1)NNC(=O)N,carcinogen
48413379,CNC(=O)OC1=CC=CC2=CC=CC=C21,non-carcinogen
48413380,C1=CC=C2C(=C1)C3=CC=CC=C3N2,carcinogen
48413381,CC1(CC2=C(O1)C(=CC=C2)OC(=O)NC)C,non-carcinogen
48413382,C(Cl)(Cl)(Cl)Cl,carcinogen
48413384,CCC(CC)(C(=O)NC(=O)N)Br,non-carcinogen
48413385,CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CCCC2(C)C)C)C)C,non-carcinogen
48413388,CC1=CCC(CC1=O)C(=C)C,non-carcinogen
48413390,C1=CC=C(C(=C1)O)O,carcinogen
48413392,CCN(CC)C(=O)NC1=CC(=C(C=C1)OCC(CNC(C)(C)C)O)C(=O)C,non-carcinogen
48413394,CC(CCC(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C,non-carcinogen
48413395,C(C(Cl)(Cl)Cl)(O)O,carcinogen
48413396,C1=C(C=C(C(=C1N)Cl)C(=O)O)Cl,carcinogen
48413397,C1=CC(=CC=C1CCCC(=O)O)N(CCCl)CCCl,carcinogen
48413400,C1(=C(C(=O)C(=C(C1=O)Cl)Cl)Cl)Cl,non-carcinogen
48413401,C1C2C(C(C1Cl)Cl)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl,carcinogen
48413402,C1(C(C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)C(=O)O)C(=O)O,carcinogen
48413403,CCC(CCC(C(CC(C(C(CCl)Cl)Cl)Cl)Cl)Cl)Cl,carcinogen
48413404,CCCC(CCC(CCC(CCC(CCC(CCC(CCC(C)Cl)Cl)Cl)Cl)Cl)Cl)Cl,carcinogen
48413405,[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]Cl.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+],non-carcinogen
48413407,ClCl,non-carcinogen
48413408,CC(=O)C1(CCC2C1(CCC3C2C=C(C4=CC(=O)CCC34C)Cl)C)OC(=O)C,non-carcinogen
48413409,C1=CC(=CC=C1N)OC2=CC=C(C=C2)Cl,carcinogen
48413412,C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])Cl,non-carcinogen
48413413,CC(=C)CCl,carcinogen
48413413,CC(=C)CCl,carcinogen
48413415,C1=CC=C(C(=C1)[N+](=O)[O-])Cl,carcinogen
48413416,C1=CC(=CC=C1[N+](=O)[O-])Cl,carcinogen
48413417,C1=CC(=C(C=C1N)N)Cl,carcinogen
48413418,C1=CC(=C(C=C1Cl)N)N,carcinogen
48413419,C1=CC(=C(C=C1N)Cl)N.OS(=O)(=O)O,non-carcinogen
48413420,CC(CCl)O,non-carcinogen
48413421,CC1=C(C=C(C=C1)N)Cl,non-carcinogen
48413422,CC1=C(C=C(C=C1)Cl)N,carcinogen
48413423,CC1=C(C=CC(=C1)Cl)N.Cl,carcinogen
48413425,CC1=C(C(=CC=C1)NC2=CC(=NC(=N2)SCC(=O)O)Cl)C,carcinogen
48413426,CC1=C(C(=CC=C1)NC2=CC(=NC(=N2)SCC(=O)NCCO)Cl)C,carcinogen
48413427,C(C=O)Cl,carcinogen
48413428,C1=CC=C(C=C1)C(=O)CCl,non-carcinogen
48413429,CC(=O)NC1=CC=C(C=C1)C(=O)CCl,non-carcinogen
48413430,C1=CC(=CC=C1N)Cl,non-carcinogen
48413431,C1=CC(=CC=C1N)Cl.Cl,carcinogen
48413432,C1=CC=C(C(=C1)C=C(C#N)C#N)Cl,non-carcinogen
48413433,C1=CC=C(C=C1)Cl,non-carcinogen
48413434,CCOC(=O)C(C1=CC=C(C=C1)Cl)(C2=CC=C(C=C2)Cl)O,carcinogen
48413435,C(Cl)(Br)Br,carcinogen
48413436,C(F)(F)Cl,non-carcinogen
48413437,CCCl,carcinogen
48413438,C[N+](C)(C)CCCl.[Cl-],non-carcinogen
48413441,C(Cl)(Cl)Cl,carcinogen
48413443,C1=CC=NC(=C1)CCl.Cl,non-carcinogen
48413444,C1=CC(=CN=C1)CCl.Cl,carcinogen
48413445,C1=CC(=CC=C1OS(=O)(=O)C2=CC=C(C=C2)Cl)Cl,non-carcinogen
48413446,CN(C)C(=O)NC1=CC=C(C=C1)Cl,non-carcinogen
48413450,C([N+](=O)[O-])(Cl)(Cl)Cl,non-carcinogen
48413451,C=CC(=C)Cl,carcinogen
48413453,CC(C=O)Cl,carcinogen
48413454,CC=CCl,carcinogen
48413456,C(#N)C1=C(C(=C(C(=C1Cl)Cl)Cl)C#N)Cl,non-carcinogen
48413458,C[NH+](C)CCC(C1=CC=C(C=C1)Cl)C2=CC=CC=N2.C(=CC(=O)[O-])C(=O)O,non-carcinogen
48413459,CCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)Cl,non-carcinogen
48413461,C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])NN=C3C=C(C(=O)C(=NNC4=CC=C(C5=CC=CC=C54)S(=O)(=O)[O-])C3=O)CO.[Na+].[Na+],non-carcinogen
48413462,C[N+](C)(C)CCO.[Cl-],non-carcinogen
48413464,CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Cr+3],non-carcinogen
48413465,C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC=C3O,carcinogen
48413466,CC1=C(N=CN1)CSCCNC(=NC)NC#N,non-carcinogen
48413467,C1=CC=C(C=C1)C=CC=O,non-carcinogen
48413468,C1=CC=C(C=C1)C=CCOC(=O)C2=CC=CC=C2N,carcinogen
48413469,CC(C)(C(=O)O)OC1=CC=C(C=C1)C2CC2(Cl)Cl,carcinogen
48413470,CC(=CCCC(=CC=O)C)C,non-carcinogen
48413474,CC(C)(C(=O)O)OCC1=CC=C(C=C1)C2=CC=C(C=C2)Cl,carcinogen
48413475,CCOC(=O)C(C)(C)OC1=CC=C(C=C1)Cl,non-carcinogen
48413476,CCN(CC)CCOC1=CC=C(C=C1)C(=C(C2=CC=CC=C2)Cl)C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O,non-carcinogen
48413477,C1=CC(=C(C=C1[N+](=O)[O-])Cl)NC(=O)C2=C(C=CC(=C2)Cl)O.C(CO)N,non-carcinogen
48413479,O.O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[Co+2],carcinogen
48413480,CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O,non-carcinogen
48413482,CC1=CC2=C(C=C1)C(=NC(=O)N2C(C)C)C3=CC(=CC=C3)O,non-carcinogen
48413483,CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCC2=NNN=N2,carcinogen
48413484,CN(C)C(=S)[S-].CN(C)C(=S)[S-].[Cu+2],non-carcinogen
48413485,C1=CC2=C(C(=C1)O)N=CC=C2.C1=CC2=C(C(=C1)O)N=CC=C2.[Cu],non-carcinogen
48413486,CCOP(=S)(OCC)OC1=CC2=C(C=C1)C(=C(C(=O)O2)Cl)C,non-carcinogen
48413487,C1=CC=C2C(=C1)C=CC(=O)O2,carcinogen
48413488,CC1=C(C=CC(=C1)OC)N,non-carcinogen
48413489,CC1=CC(=C(C=C1)OC)N,carcinogen
48413491,C1=CC=C(C=C1)N(N=O)[O-].[NH4+],carcinogen
48413495,C1CCC(CC1)NS(=O)(=O)[O-].[Na+],carcinogen
48413496,CCC1C(=O)NC(C(=O)NC(CC(=O)NC(C(=O)N2CC(C(C2C(=O)N1)Cl)Cl)CO)C3=CC=CC=C3)CO,carcinogen
48413498,C(C1C2C(C(C(O1)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)OC7C(OC(C(C7O)O)OC8C(OC(O2)C(C8O)O)CO)CO)CO)CO)CO)CO)O)O)O,non-carcinogen
48413499,C1CCC(=O)CC1,non-carcinogen
48413500,C1CCC(CC1)NSC2=NC3=CC=CC=C3S2,non-carcinogen
48413501,C1CCC(CC1)N.Cl,non-carcinogen
48413502,C1CCC(CC1)N.OS(=O)(=O)O,non-carcinogen
48413505,C1CNP(=O)(OC1)N(CCCl)CCCl,carcinogen
48413506,CCC1C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1)C(C(C)CC=CC)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C,non-carcinogen
48413507,CC(=O)C1(CCC2C1(CCC3C2C=C(C4=CC(=O)C5CC5C34C)Cl)C)OC(=O)C,carcinogen
48413509,COC1=CC=C(C=C1)C(=O)C(=CC(=O)[O-])Br.[Na+],non-carcinogen
48413510,CN(C)NN=C1C(=NC=N1)C(=O)N,carcinogen
48413511,CN(C)NC(=O)CCC(=O)O,carcinogen
48413512,C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)N,non-carcinogen
48413513,C1=CC=C(C(=C1)C(C2=CC=C(C=C2)Cl)C(Cl)Cl)Cl,non-carcinogen
48413514,C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)C(Cl)Cl)Cl,carcinogen
48413515,C1=CC(=CC=C1C(=C(Cl)Cl)C2=CC=C(C=C2)Cl)Cl,carcinogen
48413516,C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)C(Cl)(Cl)Cl)Cl,carcinogen
48413517,C1(=C(C(=C(C(=C1Br)Br)Br)Br)Br)OC2=C(C(=C(C(=C2Br)Br)Br)Br)Br,non-carcinogen
48413522,CC12CCC3C(C1CCC2=O)CC=C4C3(CCC(C4)OS(=O)(=O)O)C,non-carcinogen
48413523,CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Br)Br)C,non-carcinogen
48413524,CC1=CC2C(C(C1=O)O)(C3(CC(C(C34CO4)O2)O)C)CO,non-carcinogen
48413532,CC(=O)NNC(=O)C,non-carcinogen
48413533,CC(C)N(C(C)C)C(=O)SCC(=CCl)Cl,carcinogen
48413534,C=CCOC(=O)C1=CC=CC=C1C(=O)OCC=C,non-carcinogen
48413535,C=CCN(CC=C)N,carcinogen
48413536,C=CCNNCC=C.Cl.Cl,carcinogen
48413539,C1=CC(=C(C=C1N)S(=O)(=O)[O-])C=CC2=C(C=C(C=C2)N)S(=O)(=O)[O-].[Na+].[Na+],non-carcinogen
48413540,COC1=C(C=C(C=C1)N)N.OS(=O)(=O)O,carcinogen
48413541,C1=CC(=CC=C1N)N=NC2=CC=C(C=C2)N,non-carcinogen
48413542,C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)N)N,non-carcinogen
48413543,C1=CC(=C(C=C1N)N)O.Cl.Cl,carcinogen
48413544,CC1=C(C=C(C=C1)N)N,carcinogen
48413545,CC1=C(C=C(C=C1)N)N.Cl.Cl,carcinogen
48413546,CC1=C(C=CC=C1N)N.Cl.Cl,non-carcinogen
48413547,CC1=C(C=CC(=C1)N)N.OS(=O)(=O)O,non-carcinogen
48413548,CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3,non-carcinogen
48413549,CCOP(=S)(OCC)OC1=NC(=NC(=C1)C)C(C)C,non-carcinogen
48413551,C1=CC=C2C(=C1)C=CC3=CC4=C(C=CC5=CC=CC=C54)C=C32,carcinogen
48413552,C1=CC=C2C(=C1)OC3=CC=CC=C3O2,non-carcinogen
48413555,C(C(CBr)Br)Cl,carcinogen
48413556,C(C(C(C(C(CBr)O)O)O)O)Br,carcinogen
48413557,C(CBr)Br,carcinogen
48413558,C(C(C(C(C(CBr)O)O)O)O)Br,carcinogen
48413561,CCCC[Sn](CCCC)(OC(=O)C)OC(=O)C,non-carcinogen
48413562,CC(C)(C#C)NC(=O)C1=CC(=CC(=C1)Cl)Cl,carcinogen
48413563,C1COC(C(O1)Cl)Cl,non-carcinogen
48413565,C(=O)C(=C(C(=O)O)Cl)Cl,non-carcinogen
48413566,CC(=C)C(=O)NC1=CC(=C(C=C1)Cl)Cl,non-carcinogen
48413567,C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)Cl,non-carcinogen
48413568,C1=C(C=C(C(=C1Cl)N)Cl)[N+](=O)[O-],non-carcinogen
48413569,C1=C(C=C(C(=C1Cl)N)Cl)N,carcinogen
48413570,C(C(=O)O)(Cl)Cl,carcinogen
48413571,C(#CCl)Cl,carcinogen
48413572,C1=CC=C(C(=C1)Cl)Cl,non-carcinogen
48413573,C1=CC(=CC=C1Cl)Cl,carcinogen
48413575,C1=CC(=C(C=C1C2=CC(=C(C=C2)N)Cl)Cl)N.Cl.Cl,carcinogen
48413577,C(C=CCCl)Cl,carcinogen
48413578,C1=CC2=C(C=C1Cl)OC3=C(O2)C=C(C=C3)Cl,non-carcinogen
48413579,C(F)(F)(Cl)Cl,non-carcinogen
48413580,C1=CC(=CC=C1S(=O)(=O)C2=CC=C(C=C2)Cl)Cl,non-carcinogen
48413581,CC(Cl)Cl,non-carcinogen
48413582,C(CCl)Cl,carcinogen
48413583,C1=CC(=C(C=C1Cl)Cl)O,non-carcinogen
48413584,CC(C(=O)O)OC1=C(C=C(C=C1)Cl)Cl,non-carcinogen
48413585,CC(C(=O)O)OC1=C(C=CC(=C1)Cl)Cl,non-carcinogen
48413586,C1=CC(=C(C=C1Cl)Cl)OCC(=O)O,non-carcinogen
48413587,CCCCOC(=O)COC1=C(C=C(C=C1)Cl)Cl,non-carcinogen
48413588,CCCCC(CC)COC(=O)COC1=C(C=C(C=C1)Cl)Cl,non-carcinogen
48413589,CC(C)OC(=O)COC1=C(C=C(C=C1)Cl)Cl,non-carcinogen
48413590,CN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl,non-carcinogen
48413591,C1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)Cl)Cl,non-carcinogen
48413592,CC(CCl)Cl,carcinogen
48413593,COP(=O)(OC)OC=C(Cl)Cl,carcinogen
48413595,C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)(C(Cl)(Cl)Cl)O)Cl,carcinogen
48413596,C1CCC(CC1)NC(=S)NC2CCCCC2,non-carcinogen
48413597,C1C2C3CC4C(C3C1C5C2O5)O4,non-carcinogen
48413598,C1C2C3C(C1C4C2O4)C5(C(=C(C3(C5(Cl)Cl)Cl)Cl)Cl)Cl,carcinogen
48413599,C12C3C(C4C1C5(C(C3(C4(C5(Cl)Cl)Cl)Cl)Cl)Cl)C6C2O6,non-carcinogen
48413601,CCOP(=O)(CC1CO1)OCC,non-carcinogen
48413603,CCN(CC)C(=O)C1=CC(=CC=C1)C,non-carcinogen
48413607,CCN(CC)CC#CC(C)(C)OC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O.O.Cl,non-carcinogen
48413611,CCC(=C(CC)C1=CC=C(C=C1)O)C2=CC=C(C=C2)O,carcinogen
48413612,CCNC(=S)NCC,non-carcinogen
48413614,C(=O)NNC=O,carcinogen
48413615,C1C2=CC=CC=C2C(=O)N3N1C(=O)C4=CC=CC=C4C3,carcinogen
48413616,C1C(O1)COC2=CC(=CC=C2)OCC3CO3,carcinogen
48413620,C1CC(=O)OC2=CC=CC=C21,carcinogen
48413621,CCCC1=CC2=C(C=C1)OCO2,carcinogen
48413622,C1=CC(=C(C=C1C2=CC(=C(C=C2)N)O)O)N.Cl.Cl,carcinogen
48413624,CC(C)CCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCC(C)C,carcinogen
48413627,CNC(=O)CSP(=S)(OC)OC,non-carcinogen
48413629,CC1CC(OC(O1)C)OC(=O)C,non-carcinogen
48413630,COC1=CC(=C(C=C1)OC)C=CC2=CC=C(C=C2)N,carcinogen
48413631,COC1=CC(=C(C=C1)N)OC.Cl,non-carcinogen
48413632,COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=C=O)OC)N=C=O,non-carcinogen
48413633,COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)OC)N.Cl.Cl,carcinogen
48413641,CO[P+](=O)OC,non-carcinogen
48413642,COP(=O)(C)OC,non-carcinogen
48413643,COP(=O)(N1CCOCC1)OC,non-carcinogen
48413646,COC(=O)C1=CC=C(C=C1)C(=O)OC,non-carcinogen
48413647,CC(=O)N(C)C,non-carcinogen
48413648,CCC(C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2)OC(=O)C.Cl,non-carcinogen
48413649,CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2.Cl,non-carcinogen
48413651,CC1=CC(=CC(=C1N(C)C)C)O,non-carcinogen
48413652,CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)C,non-carcinogen
48413653,CN(C)CCO,non-carcinogen
48413656,CN(C)C1=CC=CC=C1,non-carcinogen
48413657,C[As](=O)(C)O,non-carcinogen
48413659,CC1=C2C=CC3=CC=CC=C3C2=C(C4=CC=CC=C14)C,carcinogen
48413660,CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)C)N.Cl.Cl,carcinogen
48413661,CN(C)C(=O)Cl,carcinogen
48413662,CNC.CN(C)C(=S)S,non-carcinogen
48413664,CN(C)C=O,non-carcinogen
48413665,CN(C)N,carcinogen
48413666,CNNC.Cl.Cl,carcinogen
48413670,CC(=CCl)C,carcinogen
48413672,CCCCCCC(C)C1=CC(=CC(=C1OC(=O)C=CC)[N+](=O)[O-])[N+](=O)[O-],non-carcinogen
48413673,C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])O,non-carcinogen
48413674,C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[O-].[Na+],non-carcinogen
48413678,C1CN(CCN1N=O)N=O,carcinogen
48413681,CC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-],carcinogen
48413681,CC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-],carcinogen
48413684,C1COCCO1,carcinogen
48413685,CCOP(=S)(OCC)SC1C(OCCO1)SP(=S)(OCC)OCC,non-carcinogen
48413686,C1CCN(CC1)C(=S)SSSSSSC(=S)N2CCCCC2,non-carcinogen
48413688,CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2.Cl,non-carcinogen
48413689,C1=CC=C(C=C1)NC2=CC=C(C=C2)NC3=CC=CC=C3,non-carcinogen
48413690,C1=CC=C(C=C1)C(C#N)C2=CC=CC=C2,non-carcinogen
48413691,C1=CC=C(C=C1)OC(=O)OC2=CC=CC=C2,non-carcinogen
48413692,C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC=CC=C3,carcinogen
48413694,CCC(O)OC(CC)O,non-carcinogen
48413695,CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)CS(=O)(=O)[O-].[Na+],carcinogen
48413697,C(=S)(N)NNC(=S)N,non-carcinogen
48413700,CCCCCCCCCCCCN=C(N)N.CC(=O)O,non-carcinogen
48413704,CC(C1=CC=CC=C1)(C2=CC=CC=N2)OCCN(C)C.C(CC(=O)O)C(=O)O,carcinogen
48413705,CC(C1CCC2(C1(CCC3C2=CC(=O)C4C3(CC(C(C4)O)O)C)C)O)C(CCC(C)(C)O)O,carcinogen
48413708,C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)O)CC(=O)[O-].O.O.O.[Na+].[Na+].[Na+],non-carcinogen
48413709,CCO.CC1=C(C(C(=C(N1)C)P2(=O)OCC(CO2)(C)C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCCN(CC4=CC=CC=C4)C5=CC=CC=C5.Cl,non-carcinogen
48413713,CC1=CC(=C2C(=C1)C(=O)C3=CC(=CC(=C3C2=O)O)O)O,non-carcinogen
48413715,C1C2C(COS(=O)O1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl,non-carcinogen
48413716,C1C2C3C(C1C4C2O4)C5(C(=C(C3(C5(Cl)Cl)Cl)Cl)Cl)Cl,non-carcinogen
48413717,C(C(OC(F)F)(F)F)(F)Cl,non-carcinogen
48413718,CC12CCC3C(C1CCC2(C#C)O)CCC4=C3CCC(=O)C4,carcinogen
48413718,CC12CCC3C(C1CCC2(C#C)O)CCC4=C3CCC(=O)C4,carcinogen
48413720,CC(C(C1=CC=CC=C1)O)NC.CC(C(C1=CC=CC=C1)O)NC.OS(=O)(=O)O,non-carcinogen
48413721,C1C(O1)CCl,non-carcinogen
48413722,C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O,non-carcinogen
48413724,CCC1CO1,non-carcinogen
48413725,C(C(C1C(=C(C(=O)O1)O)O)O)[O-].[Na+],non-carcinogen
48413726,CCCCCCCCCCCCCCCCCC(=O)[O-].CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)[NH+](C)C)O)(C)O)C)C)O)(C)O,non-carcinogen
48413727,C1C2=NN=CN2C3=C(C=C(C=C3)Cl)C(=N1)C4=CC=CC=C4,non-carcinogen
48413728,CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O,non-carcinogen
48413729,CC12CCC3C(C1CCC2OC(=O)CC4=CC=C(C=C4)N(CCCl)CCCl)CCC5=C3C=CC(=C5)OC(=O)CC6=CC=C(C=C6)N(CCCl)CCCl,carcinogen
48413730,COC1=CC=C(C=C1)CC=C,carcinogen
48413732,CCC1=NC=CC(=C1)C(=S)N,carcinogen
48413734,CCSCCC(C(=O)O)N,carcinogen
48413736,CCOC1=CC=CC=C1C(=O)N,carcinogen
48413738,CCOC(=O)C=C,carcinogen
48413739,CCO,non-carcinogen
48413742,CCOC(=O)CBr,non-carcinogen
48413744,CCC1=CC=C(C=C1)C(C2=CC=C(C=C2)CC)C(Cl)Cl,non-carcinogen
48413745,CCN(C=O)N,carcinogen
48413747,CCN(C(=N[N+](=O)[O-])N)N=O,carcinogen
48413749,CCN(CC)C(=S)S[Te](SC(=S)N(CC)CC)(SC(=S)N(CC)CC)SC(=S)N(CC)CC,non-carcinogen
48413751,CCC1=CC=CC=C1,carcinogen
48413752,C(CO)O,non-carcinogen
48413753,C1COS(=O)(=O)O1,non-carcinogen
48413754,C1CN1,carcinogen
48413755,C1CO1,carcinogen
48413756,C1CNC(=S)N1,carcinogen
48413757,C1CNC(=O)N1,non-carcinogen
48413758,C(CNC(=S)[S-])NC(=S)[S-].[Na+].[Na+],non-carcinogen
48413760,CCCCC(CC)CO,carcinogen
48413761,CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC,carcinogen
48413762,CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OCC(CC)CCCC,carcinogen
48413763,CCNN.Cl,carcinogen
48413768,CCS(=O)(=O)C1=CC=C(C2=CC=CC=C21)S(=O)(=O)N,carcinogen
48413769,CC(=O)OC1CCC2C3CCC4(C(C3CCC2=C1)CCC4(C#C)OC(=O)C)C,non-carcinogen
48413770,CCC1=CC=CC2=C1NC3=C2CCOC3(CC)CC(=O)O,non-carcinogen
48413771,CC1(C2CCC(O1)(CC2)C)C,non-carcinogen
48413772,COC1=C(C=CC(=C1)CC=C)O,non-carcinogen
48413774,CN(C)C1=CC=C(C=C1)N=NS(=O)(=O)[O-].[Na+],non-carcinogen
48413775,CC1=C(C=CC(=C1)OP(=S)(OC)OC)SC,non-carcinogen
48413776,CC(C)C(C1=CC=C(C=C1)Cl)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3,non-carcinogen
48413778,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.O.O.O.O.[Fe+3],non-carcinogen
48413779,CN(C)C(=S)[S-].CN(C)C(=S)[S-].CN(C)C(=S)[S-].[Fe+3],non-carcinogen
48413780,CC12CCC3C(C1CCC2C(=O)NC(C)(C)C)CCC4C3(C=CC(=O)N4)C,carcinogen
48413781,CC(=O)O.C1CCNC(C1)CNC(=O)C2=C(C=CC(=C2)OCC(F)(F)F)OCC(F)(F)F,non-carcinogen
48413782,C1=CC(=C(C=C1F)F)C(CN2C=NC=N2)(CN3C=NC=N3)O,non-carcinogen
48413783,CN(C)C(=O)NC1=CC=CC(=C1)C(F)(F)F,non-carcinogen
48413785,[F-].[Na+],non-carcinogen
48413786,C1=CC(=CC=C1C2=CC=C(C=C2)F)N,carcinogen
48413789,C1=C(C(=O)NC(=O)N1)F,carcinogen
48413790,CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F.Cl,non-carcinogen
48413792,C=O,carcinogen
48413795,C1=C(OC(=C1)[N+](=O)[O-])C2=CSC(=N2)NNC=O,carcinogen
48413797,C(=O)NN,carcinogen
48413799,CCCCC(C)C(C(CC(C)CC(CCCCC(CC(C(C)N)O)O)O)OC(=O)CC(CC(=O)O)C(=O)O)OC(=O)CC(CC(=O)O)C(=O)O,carcinogen
48413801,C1=COC=C1,carcinogen
48413802,C1=COC(=C1)C=O,carcinogen
48413803,C1=COC(=C1)CO,carcinogen
48413804,C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)Cl,carcinogen
48413808,CC1=CC(=C(C=C1)C)OCCCC(C)(C)C(=O)O,non-carcinogen
48413809,CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=C(C=C3)N(C)C.[Cl-],carcinogen
48413810,CC(=CCCC(=CCOC(=O)C)C)C,non-carcinogen
48413812,CC12C(C=CC3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)OC2=O)O,non-carcinogen
48413813,CC1=CC=CN2C1=NC3=C2N=C(C=C3)N,carcinogen
48413814,C1=CC2=NC3=C(N2C=C1)N=C(C=C3)N,carcinogen
48413815,C(CC(=O)O)C(C(=O)O)N,non-carcinogen
48413816,C1=CC(=CC=C1C(=O)O)NNC(=O)CCC(C(=O)O)N,carcinogen
48413817,C1=CC(=CC=C1CO)NNC(=O)CCC(C(=O)O)N,non-carcinogen
48413818,C(CC=O)CC=O,non-carcinogen
48413823,C1C(O1)CO,carcinogen
48413825,C1COS(=O)O1,non-carcinogen
48413827,CC1(C2CCC3(C(C2(CCC1OC4C(C(C(C(O4)C(=O)[O-])O)O)OC5C(C(C(C(O5)C(=O)[O-])O)O)O)C)C(=O)C=C6C3(CCC7(C6CC(CC7)(C)C(=O)O)C)C)C)C.[Na+].[Na+],non-carcinogen
48413828,CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)[O-])C=C3)C5=CC=CC=C5.[Na+],non-carcinogen
48413829,CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)[O-])C=C3)C5=CC=C(C=C5)S(=O)(=O)[O-].[Na+].[Na+],non-carcinogen
48413830,CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)[O-])C=C3)C5=C(C=C(C=C5)O)S(=O)(=O)[O-].[Na+].[Na+],non-carcinogen
48413831,CC1CC(=O)C=C(C12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)OC,carcinogen
48413834,C1=C2C(=C(C(=C1Cl)Cl)Cl)OC3=C(C(=C(C=C3O2)Cl)Cl)Cl,carcinogen
48413836,C1=CC(C2C1C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl)Cl,carcinogen
48413839,C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)Cl,carcinogen
48413841,C1(C(C(C(C(C1Cl)Cl)Cl)Cl)Cl)Cl,carcinogen
48413841,C1(C(C(C(C(C1Cl)Cl)Cl)Cl)Cl)Cl,carcinogen
48413841,C1(C(C(C(C(C1Cl)Cl)Cl)Cl)Cl)Cl,carcinogen
48413841,C1(C(C(C(C(C1Cl)Cl)Cl)Cl)Cl)Cl,carcinogen
48413845,C1(=C(C(C(=C1Cl)Cl)(Cl)Cl)Cl)Cl,non-carcinogen
48413846,C(C(Cl)(Cl)Cl)(Cl)(Cl)Cl,carcinogen
48413847,C1=C(C(=C(C(=C1Cl)Cl)CC2=C(C(=CC(=C2Cl)Cl)Cl)O)O)Cl,non-carcinogen
48413848,CC=CC=CC=O,carcinogen
48413849,CN(C)C(=O)NC1CC2CC1C3C2CCC3,non-carcinogen
48413850,C1N2CN3CN1CN(C2)C3,non-carcinogen
48413853,CCCCCC=NN(C)C=O,carcinogen
48413854,CCCCCC(=O)N,carcinogen
48413855,CCCCCC,carcinogen
48413858,CCCCCCC1=C(C=C(C=C1)O)O,non-carcinogen
48413861,NN,carcinogen
48413862,NN.OS(=O)(=O)O,carcinogen
48413863,C1=CC(=CC=C1C2=CSC(=N2)NN)N,carcinogen
48413864,C1=C(OC(=C1)[N+](=O)[O-])C2=CSC(=N2)NN,carcinogen
48413865,C1=CC(=CC=C1C2=CSC(=N2)NN)[N+](=O)[O-],carcinogen
48413867,C1=CC(=CC=C1C(=O)O)NN,non-carcinogen
48413868,C1=CC(=CC=C1C(=O)O)NN.Cl,carcinogen
48413869,C1=CC=C(C=C1)NNC2=CC=CC=C2,carcinogen
48413872,C1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl,non-carcinogen
48413874,OO,carcinogen
48413875,C1=CC(=CC=C1O)O,carcinogen
48413876,C1=CC=C(C=C1)COC2=CC=C(C=C2)O,non-carcinogen
48413878,CC(=O)N(C1=CC2=C(C=C1)C3=CC=CC=C3C2)O,carcinogen
48413880,CCOC1=CC=C(C=C1)NC(=O)CC(C)O,carcinogen
48413882,COC1=CC=C(C=C1)C(C=C)O,carcinogen
48413885,C(CO)N(C(=O)N)N=O,carcinogen
48413887,C(CO)NN,carcinogen
48413889,C1=CC2=C(C(=C1)O)N=CC=C2,non-carcinogen
48413890,C=CC(C1=CC2=C(C=C1)OCO2)O,carcinogen
48413892,CC(CN1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2,carcinogen
48413893,C1=CN(N=C1NC(=NCC(F)(F)F)N)CCCCC(=O)N,carcinogen
48413894,CS(=O)(=O)OCCCNCCCOS(=O)(=O)C.Cl,non-carcinogen
48413896,C1=CC=C2C(=C1)C=CN2,non-carcinogen
48413897,C1=CC=C2C(=C1)C(=CN2)CC(=O)O,non-carcinogen
48413900,CC(C1OCC(O1)CO)I,carcinogen
48413902,C(I)(I)I,non-carcinogen
48413904,CN1C2=C(C3=C(C=C2)N=CC=C3)N=C1N,carcinogen
48413908,CC(=C)C,non-carcinogen
48413909,CC(C)COC(=O)C1=CC=C(C=C1)O,non-carcinogen
48413910,CC(C)CON=O,carcinogen
48413912,CC(C)C=O,non-carcinogen
48413913,C(C(F)(F)F)(OC(F)F)Cl,non-carcinogen
48413914,C(C1C(C(C(C(O1)OCC(C(C(C(CO)O)O)O)O)O)O)O)O,non-carcinogen
48413916,C1=CN=CC=C1C(=O)NN,carcinogen
48413917,C1=CN=CC=C1C(=O)N,non-carcinogen
48413918,C1=CN=CC=C1C(=O)O,non-carcinogen
48413919,COC1=CC(=CNNC(=O)C2=CC=NC=C2)C=CC1=O,carcinogen
48413920,CC1=CC(=O)CC(C1)(C)C,non-carcinogen
48413921,C1CN(P(=O)(OC1)NCCCl)CCCl,carcinogen
48413922,CC(=C)C=C,carcinogen
48413923,CC(C)O,non-carcinogen
48413924,CC(C)OC1=CC=C(C=C1)NC2=CC=CC=C2,non-carcinogen
48413925,CC(C)OC(=O)NC1=CC(=CC=C1)Cl,non-carcinogen
48413926,CC1=NN(C(=C1)OC(=O)N(C)C)C(C)C,non-carcinogen
48413927,CC(C)OC(=O)NC1=CC=CC=C1,non-carcinogen
48413928,CC=CC1=CC2=C(C=C1)OCO2,non-carcinogen
48413933,C1(=O)C2(C3(C4(C1(C5(C2(C3(C(C45Cl)(Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl,carcinogen
48413935,C1=C(OC=C(C1=O)O)CO,carcinogen
48413937,CC(=O)[O-].CC(=O)[O-].[Pb+2],non-carcinogen
48413938,CC(=O)O[Pb]OC(=O)C.O.O.O.O.[Pb].[Pb],carcinogen
48413939,CN(C)C(=S)S[Pb]SC(=S)N(C)C,non-carcinogen
48413940,CC(C)CC(C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C=O)NC(=O)C,carcinogen
48413941,CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O.Cl,non-carcinogen
48413942,CC1=CCC(CC1)C(=C)C,non-carcinogen
48413943,CC(CCC(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C,non-carcinogen
48413948,CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)C,carcinogen
48413950,CC1=NC=C(C=C1)CC2=CN=C(NC2=O)NCCSCC3=CC=C(O3)CN(C)C.Cl.Cl.Cl,non-carcinogen
48413951,CC1=CC(=C2C(=C1O)C(=O)C34C5C6C(C3C(=O)C7=C(C8=C(C=C(C(=C8C(=O)C67C(C5O)C(=O)C4=C2O)O)C)O)O)O)O,carcinogen
48413952,CC(=O)C1(CCC2C1(CCC3C2C=C(C4=CC(=O)CCC34C)Cl)C)OC(=O)C,non-carcinogen
48413953,O.O.O.O.O.O.[Mg+2].[Cl-].[Cl-],non-carcinogen
48413954,CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC,non-carcinogen
48413955,CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC,non-carcinogen
48413956,C1=CC(=O)NNC1=O,non-carcinogen
48413957,C(=C[O-])C=O.[Na+],carcinogen
48413958,C(CNC(=S)[S-])NC(=S)[S-].[Mn+2],non-carcinogen
48413959,O.[O-]S(=O)(=O)[O-].[Mn+2],non-carcinogen
48413960,CC1=C(C(C(=C(N1)C)C(=O)OCCN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC.Cl.Cl,non-carcinogen
48413961,C(C(C(C(C(CO)O)O)O)O)O,non-carcinogen
48413963,CC1=C(N=C2C(=C1)C3=CC=CC=C3N2)[NH3+].CC(=O)[O-],carcinogen
48413964,CC1=CC2=C(C=CC=N2)C3=C1N(C(=N3)N)C,carcinogen
48413965,CC1=CN=C2C=CC3=C(C2=N1)N=C(N3C)N,carcinogen
48413966,C1(=NC(=NC(=N1)N)N)N,non-carcinogen
48413968,C1=CC(=CC=C1CC(C(=O)O)N)N(CCCl)CCCl,carcinogen
48413969,CC1CCC(C(C1)O)C(C)C,non-carcinogen
48413971,C1=CC=C2C(=C1)NC(=S)S2,non-carcinogen
48413972,C1=CC=C2C(=C1)N=C(S2)[S-].C1=CC=C2C(=C1)N=C(S2)[S-].[Zn+2],non-carcinogen
48413975,[Cl-].[Cl-].[Hg+2],non-carcinogen
48413976,[Cl-].[Hg+],non-carcinogen
48413977,C[Hg]Cl,carcinogen
48413978,CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)OC,non-carcinogen
48413980,CC(=C)C#N,non-carcinogen
48413984,COC1=NN(C(=O)S1)CSP(=S)(OC)OC,carcinogen
48413986,CSCCC(C(=O)O)N,non-carcinogen
48413987,CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O,non-carcinogen
48413988,COC1=C(C=CC(=C1)N)N=NC2=CC=CC=C2,non-carcinogen
48413989,COC1=C(C=CC(=C1)N=NC2=CC=CC=C2)N,carcinogen
48413992,COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)C(Cl)(Cl)Cl,non-carcinogen
48413994,COC(C1=CC=CC=C1)C(=O)O,non-carcinogen
48413995,COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2,non-carcinogen
48413997,CBr,non-carcinogen
48413998,CC(C)(C)OC,carcinogen
48413999,COC(=O)N,non-carcinogen
48414001,CC1=C(C=CC(=C1)Cl)OCC(=O)O,non-carcinogen
48414002,CC(C)(C(=O)OC)OC1=CC=C(C=C1)C2=CC=C(C=C2)Cl,carcinogen
48414003,CN1C=C(C(=O)C2=C1N=C(C=C2)C=CC3=CC=C(O3)[N+](=O)[O-])C(=O)[O-].[K+],carcinogen
48414006,CN(C=O)N,carcinogen
48414007,CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)OC)OC)O)O)O)O)O)O)O,non-carcinogen
48414010,CC(=C)C(=O)OC,non-carcinogen
48414011,COS(=O)(=O)C,carcinogen
48414012,CN(C(=N[N+](=O)[O-])N)N=O,carcinogen
48414013,CC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-],carcinogen
48414020,CCCCCCC(=O)C=CCCCCCCCCC(=O)OC,non-carcinogen
48414021,COP(=S)(OC)OC1=CC=C(C=C1)[N+](=O)[O-],non-carcinogen
48414022,CN1CCCC1=O,carcinogen
48414023,CNC1=NC=NC2=C1NC=N2,non-carcinogen
48414024,CNC1=NC=NC2=C1N=CN2C3C(C(C(O3)CO)O)O,non-carcinogen
48414025,CC(C1=CC=CC=C1)O,non-carcinogen
48414026,CC(C)CC=NN(C)C=O,carcinogen
48414029,CC(CC1=CC(=C(C=C1)O)O)(C(=O)O)N.CC(CC1=CC(=C(C=C1)O)O)(C(=O)O)N.O.O.O,non-carcinogen
48414032,C1=CC(=C(C=C1CC2=CC(=C(C=C2)N)Cl)Cl)N.Cl.Cl,carcinogen
48414034,C(Cl)Cl,carcinogen
48414035,CN(C)C1=CC=C(C=C1)CC2=CC=C(C=C2)N(C)C,carcinogen
48414037,C1=CC(=CC=C1CC2=CC=C(C=C2)N)N.Cl.Cl,carcinogen
48414038,CCC(=NO)C,carcinogen
48414039,COC1=C(C=C(C=C1)CC=C)OC,carcinogen
48414042,CNN,carcinogen
48414043,CN[NH3+].OS(=O)(=O)[O-],carcinogen
48414045,CC1=NC=CN1,carcinogen
48414046,CC1=CC=CC2=CC=CC=C12,non-carcinogen
48414047,CC1=CC2=CC=CC=C2C=C1,non-carcinogen
48414051,CN(C1=NC=NC2=C1NC=N2)N=O,carcinogen
48414052,CN(C1=NC=NC2=C1N=CN2C3C(C(C(O3)CO)O)O)N=O,carcinogen
48414054,C=CC(=O)NCO,carcinogen
48414055,COC(=O)C(C1CCCCN1)C2=CC=CC=C2.Cl,carcinogen
48414058,CC1=CC=C(C=C1)C=C,non-carcinogen
48414059,CC1=CC(=O)NC(=S)N1,non-carcinogen
48414061,C(CNC(=S)[S-])NC(=S)[S-].[Zn+2],non-carcinogen
48414062,CC1=NC=C(N1CCO)[N+](=O)[O-],carcinogen
48414063,CC1=CC(=CC(=C1N(C)C)C)OC(=O)NC,non-carcinogen
48414064,CN(C)C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)N(C)C,carcinogen
48414065,C12(C3(C4(C5(C3(C(C1(C5(C2(C4(Cl)Cl)Cl)Cl)Cl)(Cl)Cl)Cl)Cl)Cl)Cl)Cl,carcinogen
48414067,CCCCC(C)(CC=CC1C(CC(=O)C1CCCCCCC(=O)OC)O)O,non-carcinogen
48414069,O=[Mo](=O)=O,carcinogen
48414070,CC(=O)NN,carcinogen
48414071,C(C(=O)O)Cl,non-carcinogen
48414073,C[As](=O)(O)O,non-carcinogen
48414076,C(CC(=O)[O-])C(C(=O)O)N.[Na+],non-carcinogen
48414077,C(CC(=O)O)C(C(=O)[O-])N.[Na+],non-carcinogen
48414083,CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)O,non-carcinogen
48414084,C1=CC=C2C=CC=CC2=C1,carcinogen
48414085,C1=CC=C2C(=C1)C=CC=C2CC(=O)N,non-carcinogen
48414086,C1=CC=C2C(=C1)C=CC=C2CC(=O)O,non-carcinogen
48414087,C1=CC2=C(C=CC=C2N)C(=C1)N,carcinogen
48414088,C1=CC=C2C(=C1)C=CC=C2NCCN.Cl.Cl,non-carcinogen
48414089,C1=CC=C2C=C(C=CC2=C1)NC3=CC=C(C=C3)NC4=CC5=CC=CC=C5C=C4,non-carcinogen
48414090,C1=CC=C2C(=C1)C=CC=C2NC(=S)N,non-carcinogen
48414091,C1=CC=C2C(=C1)C=CC=C2N,carcinogen
48414092,C1=CC=C2C=C(C=CC2=C1)N,carcinogen
48414093,C1=CC=C2C(=C1)C=CC(=C2S(=O)(=O)O)N,non-carcinogen
48414094,CC1=C(C(=CC=C1)C)NC(=O)CN2CCCC2=O,non-carcinogen
48414097,CC(=O)[O-].CC(=O)[O-].[Ni+2],non-carcinogen
48414098,CCCCN(CCCC)C(=S)[S-].CCCCN(CCCC)C(=S)[S-].[Ni+2],non-carcinogen
48414099,O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[Ni+2],non-carcinogen
48414100,C1=CC(=CN=C1)C(=O)N,non-carcinogen
48414102,CN1CCCC1C2=CN=CC=C2.Cl,non-carcinogen
48414103,C1=CC(=CN=C1)C(=O)O,non-carcinogen
48414104,C1=CC(=CN=C1)C(=O)NN,carcinogen
48414106,[O-][Nb](=O)=O.[Na+],non-carcinogen
48414107,CCNC(=O)NC1=NC=C(S1)[N+](=O)[O-],carcinogen
48414109,[N]=O,non-carcinogen
48414110,C(C(=O)O)N(CC(=O)O)CC(=O)O,carcinogen
48414111,C(C(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].O.[Na+].[Na+].[Na+],non-carcinogen
48414112,N(=O)[O-].[Na+],non-carcinogen
48414113,CCOC1=C(C=C(C=C1)NC(=O)C)[N+](=O)[O-],carcinogen
48414114,COC1=C(C=C(C=C1)[N+](=O)[O-])N,carcinogen
48414115,C1=C(OC(=C1)[N+](=O)[O-])C=NNC(=O)N,carcinogen
48414118,C1=CC2=NC=C(N2C=C1)C3=CC=C(O3)[N+](=O)[O-],carcinogen
48414121,CC(=O)NC1=NN=C(S1)C2=CC=C(O2)[N+](=O)[O-],carcinogen
48414124,C1=C(OC(=C1)[N+](=O)[O-])C2=CSC(=N2)NC=O,carcinogen
48414126,CCC=C(CC)[N+](=O)[O-],carcinogen
48414127,C1=CC(=C(C=C1[As](=O)(O)O)[N+](=O)[O-])O,non-carcinogen
48414128,C1=CC(=C(C=C1N)[N+](=O)[O-])N,carcinogen
48414129,C1=CC(=C(C=C1[N+](=O)[O-])N)N,non-carcinogen
48414130,CC1=C(C=C(C=C1)[N+](=O)[O-])N,carcinogen
48414131,C1CC2=CC=CC3=C(C=CC1=C23)[N+](=O)[O-],carcinogen
48414132,C1=CC(=CC=C1N)[N+](=O)[O-],non-carcinogen
48414133,COC1=CC=CC=C1[N+](=O)[O-],carcinogen
48414134,C1=CC(=C(C=C1[N+](=O)[O-])N)C(=O)O,non-carcinogen
48414135,C1=CC=C(C=C1)[N+](=O)[O-],carcinogen
48414136,C1=CC2=C(C=C1[N+](=O)[O-])NC=N2,carcinogen
48414137,C1=CC(=CC=C1C(=O)O)[N+](=O)[O-],non-carcinogen
48414141,C1=CC(=CC=C1[N+](=O)[O-])OC2=C(C=C(C=C2)Cl)Cl,carcinogen
48414143,C1C(=O)NC(=O)N1N=CC2=CC=C(O2)[N+](=O)[O-],carcinogen
48414148,C[N+](=O)[O-],carcinogen
48414149,C1=CC=C2C(=C1)C=CC=C2[N+](=O)[O-],non-carcinogen
48414153,C(C[N+](=O)[O-])C(=O)O,non-carcinogen
48414177,CN(C(=O)N)N=O,carcinogen
48414195,CN(C1=NC2=C(C=C(C=C2)Cl)C(=[N+](C1)[O-])C3=CC=CC=C3)N=O,non-carcinogen
48414196,CC1=C(N=CN1)CSCCN=C(NC#N)N(C)N=O,non-carcinogen
48414197,CCCCN(CCCC)N=O,carcinogen
48414200,CN(C)N=O,carcinogen
48414201,C1=CC=C(C=C1)N(C2=CC=CC=C2)N=O,non-carcinogen
48414202,C1=CC=C(C=C1)NC2=CC=C(C=C2)N=O,carcinogen
48414211,C1CCCN(CC1)N=O,carcinogen
48414226,COC(=O)C(C1CCCCN1N=O)C2=CC=CC=C2,non-carcinogen
48414233,C1CCN(CC1)N=O,carcinogen
48414235,C1CCN(C1)N=O,carcinogen
48414239,CC1=CC=CC=C1[N+](=O)[O-],carcinogen
48414240,CC1=CC=C(C=C1)[N+](=O)[O-],non-carcinogen
48414241,N#[N+][O-],non-carcinogen
48414242,CC1=CC2C(C(C1=O)O)(C3(C(C(C(C34CO4)O2)O)O)C)CO,non-carcinogen
48414243,C1=C(C(=C(C(=C1Br)Br)Br)C2=C(C(=C(C(=C2Br)Br)Br)Br)Br)Br,carcinogen
48414244,CC12CCC3C(C1CCC2(C#C)O)CCC4=C3CCC(=O)C4,non-carcinogen
48414246,CC(=O)OC1(CCC2C1(CCC3C2CCC4=CC(=O)CCC34)C)C#C,carcinogen
48414247,C1=CC=C(C=C1)C(=O)OOC(=O)C2=CC=CC=C2,non-carcinogen
48414248,CC1CC2=C(C=C(C(=C2C(=O)O1)O)C(=O)NC(CC3=CC=CC=C3)C(=O)O)Cl,carcinogen
48414249,C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)C(=C(Cl)Cl)Cl,non-carcinogen
48414255,CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC,non-carcinogen
48414256,C1=CC=C(C=C1)NC2=C(C=C(C=C2)NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)[O-].[Na+],non-carcinogen
48414257,C1=CC=C(C=C1)NN=C2C(=O)C=CC3=CC(=CC(=C32)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+],non-carcinogen
48414259,CC(CCC=C(C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)OC(=O)C=CC6=CC(=C(C=C6)O)OC)C)C,non-carcinogen
48414261,CC(=O)OC1CCC2C3CCC4(C(C3CCC2=C1)CCC4(C#C)OC(=O)C)C,non-carcinogen
48414262,CNC(=O)ON=C(C(=O)N(C)C)SC,non-carcinogen
48414263,C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)O,carcinogen
48414265,CCN1C=C(C(=O)C2=CC3=C(C=C21)OCO3)C(=O)O,non-carcinogen
48414269,CC(C)NCC(COC1=CC=CC=C1OCC=C)O.Cl,non-carcinogen
48414270,C1=CC(=CC=C1N)OC2=CC=C(C=C2)N,carcinogen
48414272,C1COCCN1SC2=NC3=CC=CC=C3S2,non-carcinogen
48414274,CC1(C2C(C3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O)O.Cl,non-carcinogen
48414275,[O-][O+]=O,carcinogen
48414277,CCOP(=S)(OCC)OC1=CC=C(C=C1)[N+](=O)[O-],non-carcinogen
48414279,CC1(C(N2C(S1)C(C2=O)NC(=O)COC3=CC=CC=C3)C(=O)[O-])C.[K+],non-carcinogen
48414280,COC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl,carcinogen
48414281,C(C(Cl)(Cl)Cl)(Cl)Cl,carcinogen
48414282,C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)[N+](=O)[O-],carcinogen
48414283,C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)O,non-carcinogen
48414283,C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)O,non-carcinogen
48414283,C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)O,non-carcinogen
48414286,C(C(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-])O[N+](=O)[O-],non-carcinogen
48414287,CCCCC=NN(C)C=O,carcinogen
48414289,CCCCCNN.Cl,carcinogen
48414293,CCOC1=CC=C(C=C1)NC(=O)C,carcinogen
48414295,C1=CC=C(C=C1)N=NC2=C(N=C(C=C2)N)N.Cl,carcinogen
48414296,CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CC5=CC=C(C=C5)N(CCCl)CCCl)C)C,carcinogen
48414298,C1=CC=C(C=C1)CCN=C(N)N=C(N)N.Cl,non-carcinogen
48414299,CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2,carcinogen
48414300,CCC1(C(=O)NC(=NC1=O)[O-])C2=CC=CC=C2.[Na+],carcinogen
48414301,C1=CC=C(C=C1)O,non-carcinogen
48414302,C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O,carcinogen
48414303,C1=CC=C2C(=C1)NC3=CC=CC=C3S2,non-carcinogen
48414304,CC(COC1=CC=CC=C1)N(CCCl)CC2=CC=CC=C2.Cl,carcinogen
48414306,C1=CC=C(C=C1)N=C=S,non-carcinogen
48414307,CC1=NN(C(=O)C1)C2=CC=CC=C2,non-carcinogen
48414308,C1=CC=C(C=C1)NC2=CC3=CC=CC=C3C=C2,non-carcinogen
48414309,C1=CC=C(C=C1)NC2=CC=C(C=C2)N.Cl,non-carcinogen
48414310,C1=CC=C(C=C1)C(COC(=O)N)COC(=O)N,carcinogen
48414311,C1=CC=C(C=C1)C(=CCCCCC(=O)O)C2=CN=CC=C2,non-carcinogen
48414312,C1=CC=C(C=C1)NC(=S)N,non-carcinogen
48414313,C1=CC=C(C=C1)NN=C2C(=O)C=CC3=CC=CC=C32,non-carcinogen
48414314,CCCCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3,carcinogen
48414315,C1=CC(=CC(=C1)N)N,non-carcinogen
48414317,C1=CC(=CC(=C1)N)N.Cl.Cl,non-carcinogen
48414318,C1=CC=C(C(=C1)N)N.Cl.Cl,carcinogen
48414319,C1=CC(=CC=C1N)N.Cl.Cl,non-carcinogen
48414320,CNCC(C1=CC(=CC=C1)O)O.Cl,non-carcinogen
48414322,C1=CC=C(C=C1)CCNN.OS(=O)(=O)O,carcinogen
48414325,C1=CC=C(C=C1)NN,non-carcinogen
48414326,C1=CC=C(C=C1)NN.Cl,carcinogen
48414327,CC(CC1=CC=CC=C1)NN.Cl,non-carcinogen
48414328,CC(=O)O[Hg]C1=CC=CC=C1,non-carcinogen
48414329,C1=CC=C(C=C1)C2=CC=CC=C2O,non-carcinogen
48414330,C1=CC=C(C=C1)C2=CC=C(C=C2)O,non-carcinogen
48414331,C1=CC=C(C=C1)C2=CC=CC=C2[O-].[Na+],non-carcinogen
48414333,CN1C2=C(N=CC(=C2)C3=CC=CC=C3)N=C1N.Cl,carcinogen
48414334,CC1C(C2(C(C2(C)C)C3C1(C4C=C(C(=O)C4(CC(=C3)CO)O)C)O)O)O,carcinogen
48414335,CCN(CC)C(=O)C(=C(C)OP(=O)(OC)OC)Cl,non-carcinogen
48414337,C1=CC=C(C(=C1)C(=O)N)C(=O)N,non-carcinogen
48414338,C1=CC=C2C(=C1)C(=O)OC2=O,non-carcinogen
48414339,C1(=C(C(=NC(=C1Cl)Cl)C(=O)O)Cl)N,non-carcinogen
48414340,CC(CN(C)C1=NN=C(C=C1)NN)O.Cl.Cl,non-carcinogen
48414345,CCCCOCCOCCOCC1=CC2=C(C=C1CCC)OCO2,carcinogen
48414345,CCCCOCCOCCOCC1=CC2=C(C=C1CCC)OCO2,carcinogen
48414347,CCCCCCCCS(=O)C(C)CC1=CC2=C(C=C1)OCO2,carcinogen
48414348,CC1CCCC(N1CCCC(C2=CC=CC=C2)(C3=CC=CC=N3)O)C.Cl,non-carcinogen
48414350,CC1(COC1=O)C,non-carcinogen
48414352,C1=C(C(=CC(=C1Br)Br)Br)C2=CC(=C(C=C2Br)Br)Br,carcinogen
48414355,CCCCCCCCCC1=CC=C(C=C1)OCCOCCO,non-carcinogen
48414356,CCCCCCCCC=CCCCCCCCC(=O)OCCOCC(C1C(CC(O1)OCCO)OCCO)OCCO,non-carcinogen
48414357,C=CC1=CC=CC=[N+]1[O-],non-carcinogen
48414361,CC(C)NCC(COC1=CC=C(C=C1)NC(=O)C)O,non-carcinogen
48414363,C1CC1CN2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4,non-carcinogen
48414367,CC12CC(=O)C3C(C1CCC2(C(=O)CO)O)CCC4=CC(=O)C=CC34C,non-carcinogen
48414369,CC1=CC=CC=C1OCC(CNCCN2C=C(C(=O)NC2=O)C)O.Cl,non-carcinogen
48414370,CCC1(C(=O)NCNC1=O)C2=CC=CC=C2,carcinogen
48414371,CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)O,carcinogen
48414373,CC(C)NC(=O)C1=CC=C(C=C1)CNNC.Cl,carcinogen
48414375,CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)N(C)C.Cl,non-carcinogen
48414376,CC(C)NCC(C1=CC2=CC=CC=C2C=C1)O,non-carcinogen
48414377,CC(C)NCC(C1=CC2=CC=CC=C2C=C1)O.Cl,non-carcinogen
48414379,CC(C)NC1=NC(=NC(=N1)Cl)NC(C)C,non-carcinogen
48414380,C1COC1=O,carcinogen
48414381,CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O.Cl,non-carcinogen
48414382,CCCCN(CC)C(=O)SCCC,non-carcinogen
48414383,CCCN(C=O)N,carcinogen
48414384,CCCOC(=O)C1=CC(=C(C(=C1)O)O)O,non-carcinogen
48414385,CCCOC(=O)C1C(CC2=CC3=C(C=C2C1C(=O)OCCC)OCO3)C,non-carcinogen
48414388,CC=C,non-carcinogen
48414390,CC(COC(C)(C)C)O,carcinogen
48414391,CC1CO1,carcinogen
48414392,CCCNN.Cl,carcinogen
48414393,CCCC1=CC(=O)NC(=S)N1,carcinogen
48414394,CC1=CC2=C(C=C1)C(=NC(=O)N2C(C)C)C3=CC=CC=C3,non-carcinogen
48414399,C1=CN=C(C=N1)C(=O)N,non-carcinogen
48414400,C1=CC=NC=C1,carcinogen
48414401,CN(C)CCN(CC1=CC=C(C=C1)OC)C2=CC=CC=N2.C(=CC(=O)O)C(=O)O,non-carcinogen
48414402,CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl,non-carcinogen
48414403,C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O,non-carcinogen
48414406,CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CC3=CC=CC=C3CC2C(=O)O.Cl,non-carcinogen
48414407,C1=CC(=CC=C1NO)N=O,non-carcinogen
48414408,CN1C=C(C2=CC=CC=C21)C(=O)C3CCC4=C(C3)NC=N4.Cl,non-carcinogen
48414410,C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])NN=C3C=C(C4=CC=CC=C4C3=O)S(=O)(=O)[O-].[Na+].[Na+],non-carcinogen
48414411,CC1=CC(=C(C=C1)NN=C2C(=O)C=CC3=CC=CC=C32)[N+](=O)[O-],carcinogen
48414412,COC1=C(C=C(C=C1)[N+](=O)[O-])NN=C2C3=CC=CC=C3C=C(C2=O)C(=O)NC4=CC(=CC=C4)[N+](=O)[O-],non-carcinogen
48414413,CC1=CC(=C(C=C1)NN=C2C3=C(C=CC(=C3)S(=O)(=O)[O-])C=C(C2=O)S(=O)(=O)[O-])C.[Na+].[Na+],carcinogen
48414414,CC1=CC(=C(C=C1Cl)S(=O)(=O)[O-])NN=C2C(=O)C=CC3=CC=CC=C32.CC1=CC(=C(C=C1Cl)S(=O)(=O)[O-])NN=C2C(=O)C=CC3=CC=CC=C32.[Ba+2],non-carcinogen
48414418,C1=CC=C(C(=C1)C2=C3C=C(C(=O)C(=C3OC4=C(C(=C(C=C24)I)[O-])I)I)I)C(=O)[O-].[Na+].[Na+],non-carcinogen
48414419,CC1=CC(=C(C=C1NN=C2C=C(C3=CC=CC=C3C2=O)S(=O)(=O)[O-])S(=O)(=O)[O-])C.[Na+].[Na+],non-carcinogen
48414421,C1=CC(=C(C=C1N)[N+](=O)[O-])NCCO,non-carcinogen
48414422,COC1C(CC2CN3CCC4=C(C3CC2C1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC,carcinogen
48414423,C1=CC(=CC(=C1)O)O,non-carcinogen
48414424,CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C,non-carcinogen
48414426,CCCCCCCCCCCCCCCC(=O)OCC=C(C)C=CC=C(C)C=CC1=C(CCCC1(C)C)C,non-carcinogen
48414428,CCNC1=C(C=C2C(=C1)OC3=CC(=NCC)C(=CC3=C2C4=CC=CC=C4C(=O)OCC)C)C.Cl,non-carcinogen
48414429,CC=C1CC(=C)C(C(=O)OCC2=CCN3C2C(CC3)OC1=O)(CO)O,carcinogen
48414430,CC1C=CC=C(C(=O)NC2=C(C3=C(C(=C4C(=C3C(=O)C2=CNN5CCN(CC5)C)C(=O)C(O4)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)C,carcinogen
48414431,CCN1C2=C(C(=N1)C)NC(=O)CN=C2C3=CC=CC=C3,carcinogen
48414433,C1=CC(=N)C=CC1=C(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N.Cl,carcinogen
48414434,CC(=C)C1CC2=C(O1)C=CC3=C2OC4COC5=CC(=C(C=C5C4C3=O)OC)OC,non-carcinogen
48414437,C1=CC=C2C(=C1)C(=O)NS2(=O)=O,non-carcinogen
48414439,C1=CC=C2C(=C1)C(=O)[N-]S2(=O)=O.[Na+],non-carcinogen
48414440,C=CCC1=CC2=C(C=C1)OCO2,carcinogen
48414442,C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NN=C3C=CC(=O)C(=C3)C(=O)O,carcinogen
48414443,CC1=CCCC(=CC=C(C(CC(=CCC1)C)O)C(C)C)C,non-carcinogen
48414444,CN1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4.O.O.O.Br,non-carcinogen
48414446,[Se],non-carcinogen
48414447,CCN(CC)C(=S)S[Se](SC(=S)N(CC)CC)(SC(=S)N(CC)CC)SC(=S)N(CC)CC,carcinogen
48414448,CN(C)C(=S)S[Se](SC(=S)N(C)C)(SC(=S)N(C)C)SC(=S)N(C)C,non-carcinogen
48414449,O=[Se]=O,non-carcinogen
48414450,S=[Se],carcinogen
48414452,CNC1CCC(C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl.Cl,non-carcinogen
48414453,C1OC2=C(O1)C=C(C=C2)O,carcinogen
48414454,CCNC1=NC(=NC(=N1)Cl)NCC,non-carcinogen
48414455,C(=O)(O)[O-].[Na+],non-carcinogen
48414456,C1=C(C=C(C(=C1Cl)[O-])SC2=CC(=CC(=C2[O-])Cl)Cl)Cl.[Na+].[Na+],non-carcinogen
48414457,[Na+].[Cl-],non-carcinogen
48414458,[O-]Cl=O.[Na+],non-carcinogen
48414460,CCN(CC)C(=S)[S-].O.O.O.[Na+],non-carcinogen
48414461,[O-]Cl.[Na+],non-carcinogen
48414463,CC=CC=CC(=O)O,non-carcinogen
48414464,CC(C)NCC(C1=CC=C(C=C1)NS(=O)(=O)C)O.Cl,non-carcinogen
48414466,COC1=C2C(=C3C4C=COC4OC3=C1)OC5=C(C2=O)C(=CC=C5)O,carcinogen
48414469,CN(C(=O)NC1C(C(C(OC1O)CO)O)O)N=O,carcinogen
48414470,CC1(C(=C)C2(C(C1(C(C2(Cl)Cl)(Cl)Cl)Cl)Cl)Cl)C,carcinogen
48414471,C=CC1=CC=CC=C1,carcinogen
48414472,C1=CC=C(C=C1)C=C[N+](=O)[O-],non-carcinogen
48414473,C1C(O1)C2=CC=CC=C2,carcinogen
48414474,C1CC(=O)OC1=O,non-carcinogen
48414475,C(C1C(C(C(C(O1)OC2(C(C(C(O2)CCl)O)O)CCl)O)O)Cl)O,non-carcinogen
48414476,C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O)O,non-carcinogen
48414477,CC(C)C(=O)OCC1C(C(C(O1)(COC(=O)C)OC2C(C(C(C(O2)COC(=O)C)OC(=O)C(C)C)OC(=O)C(C)C)OC(=O)C(C)C)OC(=O)C(C)C)OC(=O)C(C)C,non-carcinogen
48414478,CCN(CC)C(=S)SCC(=C)Cl,carcinogen
48414479,CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N)C,carcinogen
48414480,[O-]S(=O)(=O)[O-].[Na+].[Na+],non-carcinogen
48414481,CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)N,non-carcinogen
48414482,[O-]S(=O)S(=O)(=O)[O-].[K+].[K+],non-carcinogen
48414483,C1C=CCS1(=O)=O,non-carcinogen
48414488,CC1=CC2C(CC1OC(=O)CC(C)C)(C3(C(C(C(C34CO4)O2)O)OC(=O)C)C)COC(=O)C,carcinogen
48414490,CN1C(=O)CC(NC1=O)C(=O)NC(CC2=CN=CN2)C(=O)N3CCCC3C(=O)N.O.O.O.O,non-carcinogen
48414491,CCC(=C(C1=CC=CC=C1)C2=CC=C(C=C2)OCCN(C)C)C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O,carcinogen
48414495,C1CC(OC1)N2C=C(C(=O)NC2=O)F,non-carcinogen
48414496,C12C(C(OC1Cl)Cl)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl,non-carcinogen
48414497,C(C=CCl)Cl,carcinogen
48414497,C(C=CCl)Cl,carcinogen
48414499,CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)O)C3=CC=CC=C3,non-carcinogen
48414501,C1=CC(=C(C=C1C2=CC(=C(C=C2)N)N)N)N.Cl.Cl.Cl.Cl,carcinogen
48414502,COC1=C(C(=C(C(=C1Cl)Cl)[N+](=O)[O-])Cl)Cl,non-carcinogen
48414503,C1=C(C(=CC(=C1Cl)N)Cl)C2=CC(=C(C=C2Cl)N)Cl,non-carcinogen
48414504,C1=C2C(=CC(=C1Cl)Cl)OC3=CC(=C(C=C3O2)Cl)Cl,carcinogen
48414505,C1=CC(=CC=C1S(=O)(=O)C2=CC(=C(C=C2Cl)Cl)Cl)Cl,non-carcinogen
48414506,C(C(Cl)(Cl)Cl)Cl,carcinogen
48414507,C(C(Cl)Cl)(Cl)Cl,carcinogen
48414508,C(=C(Cl)Cl)(Cl)Cl,carcinogen
48414509,COP(=O)(OC)OC(=CCl)C1=CC(=C(C=C1Cl)Cl)Cl,carcinogen
48414510,CC1(C2CC3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O.Cl,non-carcinogen
48414511,CCN(CC)C(=S)SSC(=S)N(CC)CC,non-carcinogen
48414512,C1(=C(C(=C(C(=C1F)F)F)N)F)N.Cl.Cl,carcinogen
48414513,C(C(F)(F)F)F,non-carcinogen
48414514,C(=C(F)F)(F)F,carcinogen
48414516,CCCCCC1=CC2=C(C3C=C(CCC3C(O2)(C)C)C)C(=C1)O,non-carcinogen
48414517,C1CCOC1,carcinogen
48414519,C(O)[P+](CO)(CO)CO.[Cl-],non-carcinogen
48414520,C(O)[P+](CO)(CO)CO.C(O)[P+](CO)(CO)CO.[O-]S(=O)(=O)[O-],non-carcinogen
48414521,CN(C)C(=S)SSC(=S)N(C)C,non-carcinogen
48414522,CN(C)C(=S)SC(=S)N(C)C,non-carcinogen
48414523,C([N+](=O)[O-])([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-],carcinogen
48414525,CN1C2=C(C(=O)N(C1=O)C)NC=N2,non-carcinogen
48414526,C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3,non-carcinogen
48414528,C1CN1P(=S)(N2CC2)N3CC3,carcinogen
48414529,CC(=S)N,carcinogen
48414530,CC1=CC(=C(C=C1SC2=CC(=C(C=C2C)O)C(C)(C)C)C(C)(C)C)O,non-carcinogen
48414531,C1=C(C=C(C(=C1Cl)O)SC2=CC(=CC(=C2O)Cl)Cl)Cl,non-carcinogen
48414533,C1=CC(=CC=C1N)SC2=CC=C(C=C2)N,carcinogen
48414535,C(=S)(N)NN,non-carcinogen
48414536,C1=CNC(=S)NC1=O,carcinogen
48414537,C(=S)(N)N,non-carcinogen
48414538,CCOC(=O)C1(CCC=CC1N(C)C)C2=CC=CC=C2.C(=CC(=O)O)C(=O)O,non-carcinogen
48414539,CC(C)(C)NCC(COC1=CN(C(=O)C2=CC=CC=C21)C)O.Cl,non-carcinogen
48414540,[Cl-].[Cl-].[Sn+2],non-carcinogen
48414541,O=[Ti]=O,non-carcinogen
48414542,C(=O)(C(=O)[O-])O.C(=O)(C(=O)[O-])O.O=[Ti].[K+].[K+],non-carcinogen
48414546,CC1=CC(=C(C2=C1OC(CC2)(C)CCCC(C)CCCC(C)CCCC(C)C)C)O,carcinogen
48414547,CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN2CCCCCC2,non-carcinogen
48414548,CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)C,non-carcinogen
48414549,CC1=CC=CC=C1,non-carcinogen
48414550,CC1=C(C=C(C=C1)N=C=O)N=C=O,carcinogen
48414552,CC1=CC(=CC=C1)N.Cl,carcinogen
48414553,CC1=CC=CC=C1N.Cl,carcinogen
48414554,CC1=CC=C(C=C1)N.Cl,carcinogen
48414555,CC1=CC=C(C=C1)NC(=O)N,carcinogen
48414557,C=C1C(C2(C(C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)(CCl)CCl,carcinogen
48414561,C1=CC(=CC=C1N)OC2=CC(=C(C=C2)N)N,carcinogen
48414562,C1=CC=C(C=C1)C2=NC3=C(N=C2N)N=C(N=C3N)N,carcinogen
48414563,C(Br)(Br)Br,non-carcinogen
48414564,CCCCOP(=O)(OCCCC)OCCCC,carcinogen
48414566,C1=C(C(=C(C(=C1[N+](=O)[O-])Cl)Cl)Cl)[N+](=O)[O-],non-carcinogen
48414568,C(=O)(C(Cl)(Cl)Cl)O,carcinogen
48414569,C1=C(C=C(C(=C1Cl)N)Cl)Cl,carcinogen
48414570,C(C(Cl)Cl)Cl,carcinogen
48414571,CC(Cl)(Cl)Cl,non-carcinogen
48414572,C(=C(Cl)Cl)Cl,carcinogen
48414572,C(=C(Cl)Cl)Cl,carcinogen
48414574,C(F)(Cl)(Cl)Cl,non-carcinogen
48414575,C1=CC=C2C(=C1)C(=O)N(C2=O)SC(Cl)(Cl)Cl,carcinogen
48414576,C1=C(C=C(C(=C1Cl)O)Cl)Cl,carcinogen
48414577,CC(C(=O)O)OC1=CC(=C(C=C1Cl)Cl)Cl,non-carcinogen
48414578,C1=C(C(=CC(=C1Cl)Cl)Cl)OCC(=O)O,non-carcinogen
48414580,C(C(CCl)Cl)Cl,carcinogen
48414581,CC1=CC=C(C=C1)OP(=O)(OC2=CC=C(C=C2)C)OC3=CC=C(C=C3)C,non-carcinogen
48414582,C(CO)N(CCO)CCO,carcinogen
48414584,C1=C(OC(=C1)[N+](=O)[O-])C2=CSC(=N2)NC(=O)C(F)(F)F,carcinogen
48414585,CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-],carcinogen
48414588,CC1=CC(=C(C=C1C)N)C,carcinogen
48414589,CC1=CC(=C(C=C1C)N)C.Cl,carcinogen
48414590,CC1=CC(=C(C(=C1)C)N)C.Cl,carcinogen
48414593,COP(=O)(OC)OC,carcinogen
48414594,CNC(=S)N(C)C,non-carcinogen
48414595,CC1=C(C(=C(C(=C1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C)[N+](=O)[O-],carcinogen
48414598,CC(=O)O[Sn](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,non-carcinogen
48414599,C1=CC=C(C=C1)[Sn](C2=CC=CC=C2)C3=CC=CC=C3.O,non-carcinogen
48414600,CC1=CC=C(C=C1)C(=CCN2CCCC2)C3=CC=CC=N3.O.Cl,non-carcinogen
48414601,C(CCl)OP(=O)(OCCCl)OCCCl,carcinogen
48414602,C(C(COCCl)OCCl)OCCl,carcinogen
48414603,C(C(CBr)Br)OP(=O)(OCC(CBr)Br)OCC(CBr)Br,carcinogen
48414605,CCCCC(CC)COP(=O)(OCC(CC)CCCC)OCC(CC)CCCC,carcinogen
48414608,CC1=C(N=C(C2=C1NC3=CC=CC=C32)C)N.CC(=O)O,carcinogen
48414609,CC1=C2C3=CC=CC=C3NC2=CC(=N1)N.CC(=O)O,carcinogen
48414611,C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N,non-carcinogen
48414614,COC1=C(C=CC(=C1)C=CC(=O)CC(=O)C=CC2=CC(=C(C=C2)O)OC)O,non-carcinogen
48414615,CCC1C(C=C(C=CC(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)O)(C)O)N(C)C)O)CC=O)C)C)COC4C(C(C(C(O4)C)O)OC)OC.CC(C(=O)O)O,non-carcinogen
48414616,C1=CNC(=O)NC1=O,carcinogen
48414618,C(=O)(N)N,non-carcinogen
48414619,CCOC(=O)N,carcinogen
48414620,[O-]S(=O)(=O)[O-].O=[V+2],non-carcinogen
48414521,CN(C)C(=S)SSC(=S)N(C)C,non-carcinogen
48414623,CC(=O)OC=C,carcinogen
48414625,C=COC(=O)N,carcinogen
48414626,C=CCl,carcinogen
48414627,C=CF,carcinogen
48414628,CC1=CC=CC(=C1)C=C,non-carcinogen
48414629,C=CC1CCC=CC1,carcinogen
48414630,C=C(Cl)Cl,carcinogen
48414633,CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)C(=C3C=CC(=[N+](C)C)C=C3)C4=CC=C(C=C4)N(CC)CC5=CC(=CC=C5)S(=O)(=O)[O-].[Na+],non-carcinogen
48414634,C1C(C(C(C(C1(CO)O)O)O)O)NC(CO)CO,non-carcinogen
48414635,CC1=C(C(C(=C(N1)C)C(=O)OCCC2=CC=C(C=C2)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC(=CC=C6)[N+](=O)[O-])C(=O)OC.Cl.Cl,non-carcinogen
48414637,CC1=C(C(=CC=C1)OCC(CNC(C)(C)C)O)C.Cl,non-carcinogen
48414640,CC1=CC(=CC=C1)C,non-carcinogen
48414641,CC1=CC(=C(C=C1)N)C.Cl,carcinogen
48414642,CC1=CC(=C(C=C1)C)N.Cl,carcinogen
48414643,CC1=CC(=NNC2=CC=C(C=C2)NC(=O)C)C(=O)C=C1,carcinogen
48414644,CC(=O)C(C(=O)NC1=CC=CC=C1)N=NC2=C(C=C(C=C2)C3=CC(=C(C=C3)N=NC(C(=O)C)C(=O)NC4=CC=CC=C4)Cl)Cl,non-carcinogen
48414645,CC1=C(C=CC(=C1)C2=CC(=C(C=C2)NC(=O)C(C(=O)C)N=NC3=C(C=C(C=C3)Cl)Cl)C)NC(=O)C(C(=O)C)N=NC4=C(C=C(C=C4)Cl)Cl,non-carcinogen
48414646,CC(=O)C(C(=O)NC1=CC(=C(C=C1OC)Cl)OC)N=NC2=C(C=C(C=C2)C3=CC(=C(C=C3)N=NC(C(=O)C)C(=O)NC4=CC(=C(C=C4OC)Cl)OC)Cl)Cl,non-carcinogen
48414647,C1=CC=C2C(=C1)C3=C4C(=CC=C5C4=C(C=C3)C(=O)C6=CC=CC=C65)C2=O,carcinogen
48414648,C1=CC(=CC=C1NN=C2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)[O-])C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+],non-carcinogen
48414649,C1=CC(=CC=C1NN=C2C3=C(C=CC2=O)C=C(C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+],non-carcinogen
48414650,CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)C=CC=C(C)C(=O)OC3C(C(C(C(O3)COC4C(C(C(C(O4)CO)O)O)O)O)O)O,non-carcinogen
48414651,C1=CC(=C(C=C1[N+](=O)[O-])OCCO)NCCO,non-carcinogen
48414653,CC1CCCC(=O)CCCC=CC2=CC(=CC(=C2C(=O)O1)O)O,carcinogen
48414655,CCCCN(CCCC)C(=S)[S-].CCCCN(CCCC)C(=S)[S-].[Zn+2],non-carcinogen
48414656,CCN(CC)C(=S)[S-].CCN(CC)C(=S)[S-].[Zn+2],non-carcinogen
48414657,CN(C)C(=S)[S-].CN(C)C(=S)[S-].[Zn+2],non-carcinogen
48414658,C(CNC(=S)[S-])NC(=S)[S-].[Zn+2],non-carcinogen
48414659,[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Zr+4],non-carcinogen