diff options
Diffstat (limited to 'data/Carcinogenicity-Rodents.csv')
| -rw-r--r-- | data/Carcinogenicity-Rodents.csv | 2236 |
1 files changed, 1118 insertions, 1118 deletions
diff --git a/data/Carcinogenicity-Rodents.csv b/data/Carcinogenicity-Rodents.csv index d8c5c82..5adc8d7 100644 --- a/data/Carcinogenicity-Rodents.csv +++ b/data/Carcinogenicity-Rodents.csv @@ -1,1119 +1,1119 @@ SID,SMILES,Carcinogenicity-Rodents -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 -48413129,CC=O,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 -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 -48413151,CCOC(C=C)OCC,non-carcinogen -48413152,C=CC=NO,non-carcinogen -48413153,CC1(C=CC2=C3C(=C(C=C2O1)OC)C(=O)C4=CC=CC=C4N3C)C,carcinogen -48413154,C=CC(=O)N,carcinogen -48413155,C=CC(=O)O,non-carcinogen -48413156,C=CC#N,carcinogen -48413158,CC1C(C(=O)NC(C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CCCN7C(=O)C(NC6=O)C(C)C)C)C)C(C)C)C)N)C,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,carcinogen -48413163,COC1=C2C3=C(C(=O)OCC3)C(=O)OC2=C4C5C=COC5OC4=C1,carcinogen -48413165,C=CCOC1=C(C=C(C=C1)CC(=O)O)Cl,non-carcinogen -48413166,CC(C)(C=NOC(=O)NC)SC,non-carcinogen -48413168,CCCCCCCCCCC(C)C1=CC=C(C=C1)S(=O)(=O)[O-].[Na+],non-carcinogen -48413169,CCCCCCCCCC[N+](C)(C)[O-],non-carcinogen -48413170,C1(C(=O)NC(=O)N1)NC(=O)N,non-carcinogen -48413171,C=CCO,non-carcinogen -48413172,C=CCCl,non-carcinogen -48413175,CC(C)CC(=O)OCC=C,carcinogen -48413176,C=CCN(C(=O)N)N=O,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 -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 -48413183,C1=C(N=C(S1)N=C(N)N)CSCCNC2=NSN=C2N,carcinogen -48413184,CC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)N,carcinogen -48413185,C1=C(OC(=C1)[N+](=O)[O-])C2=NN=C(O2)N,carcinogen -48413186,C1=C(OC(=C1)[N+](=O)[O-])C2=NN=C(S2)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 -48413193,C1=C(SC(=N1)N)[N+](=O)[O-],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,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 -48413202,C1=CC(=CC=C1N)N(CCO)CCO.OS(=O)(=O)O,non-carcinogen -48413203,C1=NNC(=N1)N,carcinogen -48413204,C(CCCCCN)CCCCC(=O)O,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 -48413211,CCCCCN(C(=O)N)N=O,carcinogen -48413214,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,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 -48413224,CC(COC1=CC=C(C=C1)C(C)(C)C)OS(=O)OCCCl,carcinogen -48413225,CN1CCC=C(C1)C(=O)OC.Cl,carcinogen -48413226,COC1=CC=CC2=C3C(=C(C=C21)[N+](=O)[O-])C(=CC4=C3OCO4)C(=O)[O-].[Na+],carcinogen -48413228,C1=CC(=C(C(=C1)Cl)Cl)C2=C(C=C(C=C2)Cl)Cl,carcinogen -48413229,C1=CC(=C(C(=C1)Cl)Cl)C2=C(C(=C(C=C2)Cl)Cl)Cl,carcinogen -48413230,C1=CC(=C(C(=C1C2=C(C(=C(C=C2)Cl)Cl)Cl)Cl)Cl)Cl,carcinogen -48413231,O[As](=O)(O)[O-].[Na+],non-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 -48413236,COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)O)N,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 -48413240,CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O.Cl,non-carcinogen -48413241,CCNC1=NC(=NC(=N1)Cl)NC(C)C,carcinogen -48413242,CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3,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 -48413250,[N-]=[N+]=[N-].[Na+],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,carcinogen -48413253,CN=[N+](C)[O-],carcinogen -48413254,CCCN=[N+](CCC)[O-],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 -48413261,CCOCCC1=C(N=C(N2C1=NC=N2)N)C3=CC=CC=C3,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 -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 -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 -48413293,C(C(CO)(CBr)CBr)O,carcinogen -48413294,CC1CC(CC(C1)(OOC(C)(C)C)OOC(C)(C)C)(C)C,non-carcinogen -48413295,CCCC[Sn](CCCC)(CCCC)O[Sn](CCCC)(CCCC)CCCC,non-carcinogen -48413296,CC(CCl)OC(C)CCl,carcinogen -48413302,C(OCCl)Cl,carcinogen -48413303,C(C(CBr)Br)OP(=O)([O-])OCC(CBr)Br.C(C(CBr)Br)OP(=O)([O-])OCC(CBr)Br.[Mg+2],carcinogen -48413305,C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=C(S3)[N+](=O)[O-])N(CCO)CCO,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 -48413314,C1=CC(=CC=C1C2=CC=C(C=C2)NN=C3C(=CC4=CC(=CC(=C4C3=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-])NN=C5C(=CC6=CC(=CC(=C6C5=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+],carcinogen -48413315,COC1=C(C=CC(=C1)C2=CC(=C(C=C2)NN=C3C(=CC4=CC(=CC(=C4C3=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-])OC)NN=C5C(=CC6=CC(=CC(=C6C5=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[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,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 -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 -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 -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 -48413341,CCCCN(CCCCO)N=O,carcinogen -48413342,CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CO,non-carcinogen -48413345,CCCCN(C(=O)N)N=O,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 -48413352,CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C,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],carcinogen -48413359,O.[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],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 -48413368,CC(C(=O)[O-])O.CC(C(=O)[O-])O.[Ca+2],non-carcinogen -48413371,CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)OC(C)OC(=O)OC6CCCCC6,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 -48413378,C1=CC(=CC=C1NC(=O)N)[As](=O)(O)O,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 -48413383,C(C(=O)O)N(C(=O)N)N=O,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 -48413393,CC1OC2(CN3CCC2CC3)CS1.CC1OC2(CN3CCC2CC3)CS1.O.Cl.Cl,non-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 -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 -48413409,C1=CC(=CC=C1N)OC2=CC=C(C=C2)Cl,carcinogen -48413410,C1(C(=C(C(=O)O1)Cl)C(Cl)Cl)O,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 -48413424,C(C(F)(F)F)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 -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 -48413434,CCOC(=O)C(C1=CC=C(C=C1)Cl)(C2=CC=C(C=C2)Cl)O,carcinogen -48413436,C(F)(F)Cl,non-carcinogen -48413438,C[N+](C)(C)CCCl.[Cl-],non-carcinogen -48413440,C(F)Cl,carcinogen -48413441,C(Cl)(Cl)Cl,carcinogen -48413442,COCCl,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,carcinogen -48413447,CC1C2=NN=C(N2C3=C(C=C(S3)CCC4=CC=C(C=C4)CC(C)C)C(=N1)C5=CC=CC=C5Cl)C,non-carcinogen -48413448,C#CC(C1=CC=CC=C1)(C2=CC=C(C=C2)Cl)OC(=O)N,carcinogen -48413449,C1=CC(=CC=C1SC2=CC(=C(C=C2Cl)Cl)Cl)Cl,non-carcinogen -48413450,C([N+](=O)[O-])(Cl)(Cl)Cl,non-carcinogen -48413451,C=CC(=C)Cl,carcinogen -48413451,C=CC(=C)Cl,carcinogen -48413456,C(#N)C1=C(C(=C(C(=C1Cl)Cl)Cl)C#N)Cl,carcinogen -48413457,C(CCl)N(C(=O)NC1C(C(C(OC1O)CO)O)O)N=O,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 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-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 -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 -48413552,C1=CC=C2C(=C1)OC3=CC=CC=C3O2,non-carcinogen -48413554,CC1=NC=C(C(=N1)N)CN(C=O)C(=C(CCOC(=O)C2=CC=CC=C2)SC(=O)C3=CC=CC=C3)C.Cl,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 -48413559,C1=CC2=C(C=C(C=C2N=C1)Br)Br,non-carcinogen -48413560,CCCCNC(=O)N(CCCC)N=O,carcinogen 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-48413613,C(CC(C(F)F)(C(=O)O)N)CN,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 -48413624,CC(C)CCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCC(C)C,carcinogen -48413625,CC(CCC1=CC=CC=C1)NCC(C2=CC(=C(C=C2)O)C(=O)N)O.Cl,non-carcinogen -48413627,CNC(=O)CSP(=S)(OC)OC,non-carcinogen -48413628,CC1CC(OC(O1)C)OC(=O)C,carcinogen -48413628,CC1CC(OC(O1)C)OC(=O)C,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,carcinogen -48413633,COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)OC)N.Cl.Cl,carcinogen -48413638,CC(=O)NCCSP(=S)(OC)OC,non-carcinogen -48413641,CO[P+](=O)OC,carcinogen -48413643,COP(=O)(N1CCOCC1)OC,carcinogen -48413644,CC1=CC(=NC(=N1)C2=CC=C(O2)[N+](=O)[O-])C,carcinogen 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-48414460,CCN(CC)C(=S)[S-].O.O.O.[Na+],non-carcinogen -48414461,[O-]Cl.[Na+],non-carcinogen -48414462,[O-]P(=O)=O.[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 -48414467,CC12CCCC(C1CCC34C2CCC(C3)(C(=C)C4)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)(C)C(=O)OC7C(C(C(C(O7)CO)O)O)O,non-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 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-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 -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 -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 -48414524,CN(C)CCN(CC1=CSC=C1)C2=CC=CC=N2,non-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 -48414527,CS(=O)(=O)C1=CC=C(C=C1)C(C(CO)NC(=O)C(Cl)Cl)O,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 -48414532,C(#N)[S-].[Na+],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 -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 -48414543,C1C=CC=[C-]1.C1C=CC=[C-]1.[Cl-].[Cl-].[Ti+4],non-carcinogen -48414545,CC1=C2C(=C(C(=C1C)OC(=O)C)C)CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C,non-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,carcinogen -48414550,CC1=C(C=C(C=C1)N=C=O)N=C=O,carcinogen -48414553,CC1=CC=CC=C1N.Cl,carcinogen -48414554,CC1=CC=C(C=C1)N.Cl,carcinogen -48414556,CN(C)CCOC1=CC=C(C=C1)C(=C(CCCl)C2=CC=CC=C2)C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O,non-carcinogen -48414557,C=C1C(C2(C(C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)(CCl)CCl,carcinogen -48414562,C1=CC=C(C=C1)C2=NC3=C(N=C2N)N=C(N=C3N)N,carcinogen -48414563,C(Br)(Br)Br,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 -48414567,C(C(F)(Cl)Cl)(F)(F)Cl,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 -48414587,CC1=C(C(=O)C(=C(C1=O)C)C(CCCCCC(=O)O)C2=CC=CC=C2)C,non-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 -48414595,CC1=C(C(=C(C(=C1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C)[N+](=O)[O-],carcinogen -48414596,C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],non-carcinogen -48414597,C(C(CO[N+](=O)[O-])O[N+](=O)[O-])O[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 -48414603,C(C(CBr)Br)OP(=O)(OCC(CBr)Br)OCC(CBr)Br,carcinogen -48414604,C(C(CCl)OP(=O)(OC(CCl)CCl)OC(CCl)CCl)Cl,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 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