summaryrefslogtreecommitdiff
path: root/data
diff options
context:
space:
mode:
Diffstat (limited to 'data')
-rw-r--r--data/Acute_toxicity-Daphnia_magna.csv1094
-rw-r--r--data/Carcinogenicity-Mouse.csv1956
-rw-r--r--data/Carcinogenicity-Rat.csv2390
-rw-r--r--data/Carcinogenicity-Rodents.csv2236
-rw-r--r--data/parts/toxicity_data.xlsxbin0 -> 67506 bytes
5 files changed, 3838 insertions, 3838 deletions
diff --git a/data/Acute_toxicity-Daphnia_magna.csv b/data/Acute_toxicity-Daphnia_magna.csv
index 8613927..ba84cca 100644
--- a/data/Acute_toxicity-Daphnia_magna.csv
+++ b/data/Acute_toxicity-Daphnia_magna.csv
@@ -1,547 +1,547 @@
-SMILES,-log[LC50_mmol/L]
-BrC(Br)Br,0.7400000000000002
-BrC=C(Br)Br,1.33
-Brc1ccc(c(c1)Br)Oc1cc(Br)c(cc1Br)Br,4.019
-Brc1ccc(c(c1)Br)Oc1ccc(cc1Br)Br,3.723
-Brc1ccc(cc1)Oc1ccccc1,2.979
-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)C(=O)OC)/C,3.064
-C/C=C/c1ccc(cc1)OC,4.337
-C1=CC2C(C1)C1C=CC2C1,1.0999999999999996
-C1CCC=CC1,0.9409999999999998
-C1CCCC1,0.8090000000000002
-C1CCCCC1,1.3399999999999999
-C1CCCNC1,0.9300000000000002
-C=C/C=C/CC1=C(C)C(CC1=O)OC(=O)C1C(C1(C)C)/C=C(/C(=O)OC)\C,4.371
-C=CC#N,0.7799999999999998
-C=CC1(C)CC(OC(=O)CSC2CC3CCC(C2)N3C)C2(C)C(C)CCC3(C(C1O)C)C2C(=O)CC3,1.112
-C=Cc1ccccc1,0.5329999999999999
-CBr,1.6319999999999997
-CC(=CC1C(C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)C,4.693
-CC(=O)C,-2.327
-CC(=O)CC(=O)C,0.323
-CC(=O)CC(C1=C(O)c2ccccc2OC1=O)c3ccccc3,-0.044999999999999894
-CC(=O)Nc1ccc(cc1)O,1.2160000000000002
-CC(=O)OCC(CCn1cnc2c1nc(N)nc2)COC(=O)C,-0.40700000000000003
-CC(C1OCC=CCO1)C,-0.7280000000000002
-CC(CCCCCCCCCCN(CCCCCCCCCCC(C)C)CCCCCCCCCCC(C)C)C,2.96
-CC(CCCCCCCCCCNCCCCCCCCCCC(C)C)C,3.537
-CC(CCCCCCCOP(=O)(Oc1ccccc1)Oc1ccccc1)C,4.1
-CC(CCC(C(C1CCC2(C1(C)CCC1C2=CC(=O)C2C1(C)CC(O)C(C2)O)O)(O)C)O)C,3.4240000000000004
-CC(Cc1ccc(cc1)C(C(=O)O)C)C,1.3550000000000004
-CC(Cc1ccc(cc1)C(C)(C)C)CN1CCCCC1,2.721
-CC(Cc1ccc(cc1)C(C)(C)C)CN1CC(C)OC(C1)C,2.1020000000000003
-CC(Cl)(Cl)Cl,0.718
-CC(Cl)(Cl)F,0.577
-CC(N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C)C,3.458
-CC(NC(C)C)C,-0.6480000000000001
-CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C,-0.041999999999999836
-CC(c1cc(/N=N/c2ccc(cc2)S(=O)(=O)c2ccc(cc2)/N=N/c2cc(C(C)C)c(cc2C)O)c(cc1O)C)C,2.4400000000000004
-CC(c1cc(Br)c(c(c1)Br)O)(c1cc(Br)c(c(c1)Br)O)C,1.838
-CC(c1ccc(cc1)Cl)c1ccc(cc1)Cl,3.8579999999999997
-CC(c1ccc(cc1)O)(CC(C)(C)C)C,3.3600000000000003
-CC(c1ccc(cc1)O)(c1ccc(cc1)O)C,1.3010000000000002
-CC(c1ccccc1)C,0.7719999999999998
-CCc1ccccc1N,1.1790000000000003
-CC1=CC(=O)CC(C1)(C)C,0.06099999999999994
-CC1=CC=C(CC1)C(C)C,1.867
-CC1=CCC(CC1)C(=C)C,2.373
-CC1=CCC2CC1C2(C)C,0.5219999999999998
-CC=O,-2.45
-CCC(=O)Nc1ccc(c(c1)Cl)Cl,1.7140000000000004
-CCC(=O)O,0.16999999999999996
-CCC(C(CO)C)O,-1.78
-CCC(Cl)Cl,0.6309999999999998
-CCC(Nc1c(cc(c(c1[N+](=O)[O-])C)C)[N+](=O)[O-])CC,0.7250000000000001
-CCC(c1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-])C,3.0
-CCC(c1ccccc1OC(=O)NC)C,3.3200000000000003
-CCC1(C(=O)NC(=O)NC1=O)c1ccccc1,-0.7989999999999999
-CCC=O,-0.18500000000000003
-CCCC(=O)Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)C)O,0.819
-CCCC(=O)O,0.16000000000000017
-CCCC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Cl,1.7199999999999998
-CCCC1OC2C(O1)(C(=O)CO)C1(C(C2)C2CCC3=CC(=O)C=CC3(C2C(C1)O)C)C,1.3330000000000002
-CCCCC,0.8700000000000001
-CCCCC(=O)O,0.3580000000000001
-CCCCC(C(=O)O)CC,0.08000000000000007
-CCCCC(CO)CC,0.1150000000000002
-CCCCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CC,2.7489999999999997
-CCCCC(COC(=O)c1ccccc1C(=O)OCC(CCCC)CC)CC,1.5499999999999998
-CCCCC(COP(=O)(Oc1ccccc1)Oc1ccccc1)CC,3.383
-CCCCCC,1.3399999999999999
-CCCCCCCCCCCC(CC1OC(=O)C1CCCCCC)OC(=O)C(CC(C)C)NC=O,1.8499999999999996
-CCCCCCCCCc1ccc(cc1)O,3.064
-CCCCCCCCc1ccc(cc1)O,3.3600000000000003
-CCCCCCCCn1sccc1=O,3.074
-CCCCCCCO,0.22599999999999995
-CCCCCOC(=O)NC1=NC(=O)N(C=C1F)C2C(C(C(O2)C)O)O,-0.3740000000000001
-CCCCN(C(=O)SCCC)CC,1.4740000000000002
-CCCCN=C=S,2.4290000000000003
-CCCCNC(=O)OCC#CI,3.848
-CCCCNC(=S)N,0.8500000000000001
-CCCCOC(=O)c1ccccc1C(=O)OCCCC,1.8780000000000001
-CCCCOC(=O)c1ccccc1C(=O)OCc1ccccc1,2.1900000000000004
-CCCCOCCCC,0.7000000000000002
-CCCCOCCOCCOCc1cc2OCOc2cc1CCC,2.2910000000000004
-CCCCOP(=O)(Oc1ccccc1)OCCCC,3.042
-CCCCc1ccccc1,2.548
-CCCN(C(=O)SCC)CCC,1.6079999999999997
-CCCN(C(=S)SSC(=S)N(CCC)CCC)CCC,3.1879999999999997
-CCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CCC,3.24
-CCCO,-2.065
-CCCOC(=O)NCCCN(C)C,0.25
-CCCS,3.1020000000000003
-CCCSP(=O)(SCCC)OCC,3.5789999999999997
-CCCSc1ccc2c(c1)nc([nH]2)NC(=O)OC,4.044
-CCN(c1nc(cc(n1)C)OP(=S)(OC)OC)CC,6.140000000000001
-CCN=C=S,2.308
-CCNC(=S)NCC,-0.16199999999999992
-CCNC(=S)Nc1ccccc1,0.351
-CCNc1nc(NCC)nc(n1)Cl,0.33099999999999996
-CCNc1nc(nc(n1)Cl)NC(C#N)(C)C,3.447
-CCO,-2.41
-CCOC(=O)C(OC(=O)c1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)C(F)(F)F)C,2.0300000000000002
-CCOC(=O)CC,-0.17300000000000004
-CCOC(=O)CC(=O)OCC,-0.10099999999999999
-CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC,5.349
-CCOC(=O)c1ccccc1C(=O)OCC,0.6030000000000001
-CCOC(=O)c1ocnc1C,-0.3319999999999999
-CCOCC,-1.27
-CCOP(=O)(Oc1ccc(cc1)[N+](=O)[O-])OCC,6.141
-CCOP(=S)(OCC)SCSc1ccc(cc1)Cl,3.442
-CCOP(=S)(Oc1cc(C)nc(n1)C(C)C)OCC,5.564
-CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])OCC,5.15
-CCOP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OCC,5.849
-CCOP(=S)(SCSC(C)(C)C)OCC,5.207000000000001
-CCOc1cc(ccc1C(=O)OC)NC(=O)C,0.07200000000000006
-CCOc1ccc2c(c1)C(=CC(N2)(C)C)C,2.0359999999999996
-CCP(=S)(Sc1ccccc1)OCC,4.483
-CCS,2.5620000000000003
-CCSC(=O)N1CCCCCC1,1.4370000000000003
-CCSCSP(=S)(OCC)OCC,4.128
-CCC1OC(=O)C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C)C(OC2OC(C)CC(C2O)N(C)C)C(CC(C(=O)C(C(C1(C)O)O)C)C)(C)O,0.27700000000000014
-CCC1OC(=O)C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C)C(OC2OC(C)CC(C2O)N(C)C)C(CC(CN(C(C(C1(C)O)O)C)C)C)(C)O,0.7949999999999999
-CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(C(O2)C)O)C(C)C(OC2OC(C)CC(C2O)N(C)C)C(CC(C(=O)C(C(C1(C)O)O)C)C)(C)OC,1.6020000000000003
-CCc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,1.3070000000000004
-CCc1ccc(cc1)N,3.13
-CCc1ccc(nc1)C,0.4809999999999998
-CCc1nc(N)nc(c1c1ccc(cc1)Cl)N,1.6319999999999997
-CCN1C=C(C(O)=O)C(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c12,0.432
-CN(C(=O)N(C)C)C,-1.399
-CN(C(=O)Oc1nc(nc(c1C)C)N(C)C)C,4.037
-CN(C(=S)N(C)C)C,-0.7679999999999998
-CN(C(=S)N)C,0.3919999999999999
-CN(C(=S)SC(=S)N(C)C)C,1.8579999999999997
-CN(C(=S)SSC(=S)N(C)C)C,3.059
-CN(C(CSC(=O)N)CSC(=O)N)C,4.378
-CN(P(=O)(N(C)C)N(C)C)C,-1.57
-CN(C1C(=C(C(=O)N)C(=O)C2(C1CC1C(=C2O)C(=O)c2c(C1(C)O)c(Cl)ccc2O)O)O)C,0.5729999999999998
-CN(C1C(=C(C(=O)N)C(=O)C2(C1CC1C(=C2O)C(=O)c2c(C1(C)O)cccc2O)O)O)C,3.4299999999999997
-CN(c1ccccc1)C,1.3849999999999998
-CN(c1ccccc1)C(=S)N,0.298
-CN/C(=C/[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C,-0.31499999999999995
-CN1CCCC1c1cccnc1,1.7329999999999997
-CC1COc2c(N3CCN(C)CC3)c(F)cc3C(=O)C(=CN1c23)C(O)=O,0.6739999999999999
-CN1CN(C)CSC1=S,2.4699999999999998
-CNC(=O)/C=C(/OP(=O)(OC)OC)\C,2.76
-CNC(=O)CSP(=S)(OC)OC,2.13
-CNC(=O)O/N=C(/C(=O)N(C)C)\SC,2.12
-CNC(=O)O/N=C/C(S(=O)(=O)C)(C)C,2.9000000000000004
-CNC(=O)O/N=C/C(SC)(C)C,2.551
-CNC(=O)Oc1cccc2c1OC(C2)(C)C,3.5199999999999996
-CNC(=O)Oc1cccc2c1OC(O2)(C)C,3.883
-CNC(=O)Oc1cccc2c1cccc2,2.942
-CNC(=S)N,0.9790000000000001
-CNC(=S)N(C)C,-0.8119999999999998
-CNS(=O)(=O)Cc1ccc2c(c1)c(CCN(C)C)c[nH]2,0.008000000000000018
-CNc1ccccc1,2.79
-CO,-2.011
-CO/N=C(\c1ccccc1CO/N=C(/c1cccc(c1)C(F)(F)F)\C)/C(=O)OC,2.742
-COC(=O)N(c1ccccc1COc1ccn(n1)c1ccc(cc1)Cl)OC,3.7560000000000002
-COC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OC,1.33
-COC(=O)Nc1cccc(c1)OC(=O)Nc1cccc(c1)C,1.6520000000000001
-COC(=O)c1ccccc1C(=O)OC,0.77
-COC(CCCC(C/C=C/C(=C/C(=O)OC(C)C)/C)C)(C)C,2.4749999999999996
-COCC(=O)N(c1c(C)cccc1C)C(C(=O)OC)C,0.536
-COCC(N(c1c(C)cccc1CC)C(=O)CCl)C,1.3390000000000004
-COCC(O)C,-2.41
-COCC(OC(=O)C)C,-0.4889999999999999
-COCC(OCC(O)C)C,-1.112
-COP(=O)(C(C(Cl)(Cl)Cl)O)OC,4.699
-COP(=O)(NC(=O)C)SC,1.1070000000000002
-COP(=O)(SC)N,3.6180000000000003
-COP(=S)(Oc1ccc(c(c1)C)[N+](=O)[O-])OC,4.671
-COP(=S)(Oc1ccc(cc1)[N+](=O)[O-])OC,4.341
-COP(=S)(OC)SCN1N=Nc2ccccc2C1=O,4.858
-COc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,4.012
-COc1c(O)c(Cl)c(c(c1Cl)Cl)Cl,3.176
-COc1c(O)cc(c(c1Cl)Cl)Cl,2.527
-COc1c([N+](=O)[O-])c(C)c(cc1C(C)(C)C)[N+](=O)[O-],2.636
-COc1cc(Cl)c(c(c1O)Cl)Cl,2.372
-COc1ccc(cc1)N,2.5709999999999997
-COc1ccc(cc1Cl)NC(=O)N(C)C,0.1549999999999998
-COc1ccc2c(c1)nc([nH]2)S(=O)Cc1ncc(c(c1C)OC)C,0.5939999999999999
-COc1cccc(c1)N,2.6420000000000003
-COc1cccc(c1)O,0.48
-COc1ccccc1,0.432
-COc1ccccc1N,1.0110000000000001
-COc1ccccc1O,0.6800000000000002
-COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O,2.1319999999999997
-CSc1ccc(cc1C)OP(=S)(OC)OC,3.79
-CSc1nc(NC2CC2)nc(n1)NC(C)(C)C,1.4850000000000003
-CSc1nc(nc(n1)N)NC(C)(C)C,1.2880000000000003
-Cc1cc(C)c(cc1C)C,2.45
-Cc1ccc(c(c1)C)C,1.5300000000000002
-Cc1ccc(c(c1)C)O,1.7649999999999997
-Cc1ccc(cc1)C,0.524
-Cc1ccc(cc1)C(=O)c1cc(O)c(c(c1)[N+](=O)[O-])O,1.1399999999999997
-Cc1ccc(cc1)C(C)C,1.3170000000000002
-Cc1ccc(cc1)Cl,1.9329999999999998
-Cc1ccc(cc1)O,0.71
-Cc1ccc2c(c1)ccc(n2)C,0.6179999999999999
-Cc1ccc2c(c1)cccc2,1.9800000000000004
-Cc1ccc2c(c1)ccs2,1.0250000000000004
-Cc1cccc(c1)C,0.653
-Cc1cccc(c1)N,2.168
-Cc1cccc(c1)O,0.7599999999999998
-Cc1cccc(c1)[N+](=O)[O-],1.04
-Cc1cccc2c1cccc2,2.0010000000000003
-Cc1ccccc1C,0.7909999999999999
-Cc1ccccc1O,0.863
-CC1=CN(C(=O)NC1=O)C2C=CC(O2)CO,-0.641
-Cc1csc2c1cccc2,1.7560000000000002
-ClC(=C(Cl)Cl)Cl,1.0019999999999998
-ClC(=C)Cl,0.27999999999999975
-ClC(=CC1C(C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)Cl,5.067
-ClC(=O)C(C)(C)C,-0.42399999999999993
-ClC(C(Cl)(Cl)Cl)(Cl)Cl,1.9269999999999996
-ClC(C(Cl)(Cl)Cl)Cl,1.186
-ClC(C(Cl)Cl)Cl,0.45999999999999996
-ClC(C(F)(F)F)Cl,0.9540000000000002
-ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl,5.271000000000001
-ClC(Cl)(Cl)Cl,0.6429999999999998
-ClC(Cl)Cl,0.254
-ClC1=C(Cl)C(C(=C1Cl)Cl)(Cl)Cl,3.7199999999999998
-ClC1=C(Cl)C2(C(C1(Cl)C1C2C2CC1C1C2O1)(Cl)Cl)Cl,3.508
-ClC1=C(Cl)C2(C(C1(Cl)C1C2COS(=O)(=O)OC1)(Cl)Cl)Cl,2.3
-ClC1C2OC2C2C1C1(Cl)C(=C(C2(C1(Cl)Cl)Cl)Cl)Cl,3.21
-ClC1C=CC2C1C1(Cl)C(=C(C2(C1(Cl)Cl)Cl)Cl)Cl,3.777
-ClC1CC2C(C1Cl)C1(C(C2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl,3.623
-ClC=C(Cl)Cl,0.4849999999999998
-ClC=CCl,-0.3580000000000001
-ClCC(CCl)Cl,0.6549999999999998
-ClCC(Cl)(Cl)Cl,0.8420000000000001
-ClCC(Cl)C,0.3389999999999999
-ClCC1CO1,0.5870000000000002
-ClCC=CCl,1.322
-ClCCCl,-0.5099999999999998
-ClCCOCOCCCl,-0.06300000000000017
-ClCCP(=O)(O)O,0.04400000000000002
-Clc1c(Cl)ccc(c1Cl)Cl,2.5999999999999996
-Clc1c(Cl)cccc1Cl,1.75
-Clc1c(O)c(Cl)c(c(c1Cl)Cl)Cl,2.5599999999999996
-Clc1c(c2ccccc2)c(Cl)c(c(c1Cl)Cl)Cl,4.61
-Clc1c(ccc(c1Cl)Cl)c1ccc(c(c1Cl)Cl)Cl,5.779999999999999
-Clc1cc(C)c(c(c1)Cl)O,2.6319999999999997
-Clc1cc(Cl)c(c(c1)Cl)Cl,1.8739999999999997
-Clc1cc(Cl)c(c(c1)Cl)O,1.495
-Clc1cc(Cl)c(c(c1Cl)Cl)Cl,1.6740000000000004
-Clc1cc(Cl)c(cc1N)Cl,1.7610000000000001
-Clc1cc(Cl)c(cc1O)Cl,1.8639999999999999
-Clc1cc(Cl)c(cc1c1cc(Cl)c(cc1Cl)Cl)Cl,5.4399999999999995
-Clc1cc(Cl)c(cc1c1ccccc1)Cl,2.6399999999999997
-Clc1cc(Cl)cc(c1Oc1ccc(cc1)[N+](=O)[O-])Cl,2.878
-Clc1cc(cc(c1)Cl)[N+](=O)[O-],1.4340000000000002
-Clc1cc(ccc1Oc1ccc(c(c1)C(=O)O)[N+](=O)[O-])C(F)(F)F,1.2569999999999997
-Clc1ccc(c(c1)C)O,2.691
-Clc1ccc(c(c1)Cl)C,2.42
-Clc1ccc(c(c1)Cl)C(Cn1cncn1)COC(C(F)F)(F)F,1.713
-Clc1ccc(c(c1)Cl)Cl,1.83
-Clc1ccc(c(c1)Cl)N,2.4299999999999997
-Clc1ccc(c(c1)Cl)O,1.7969999999999997
-Clc1ccc(c(c1)Cl)[N+](=O)[O-],1.6600000000000001
-Clc1ccc(c(c1)Cl)c1ccc(cc1Cl)Cl,3.989
-Clc1ccc(c(c1)N)Cl,1.742
-Clc1ccc(c(c1)O)Oc1ccc(cc1Cl)Cl,3.109
-Clc1ccc(c(c1)[N+](=O)[O-])C,1.2679999999999998
-Clc1ccc(cc1)/C=N/N/C(=N/N=C/c1ccc(cc1)Cl)/N,3.6500000000000004
-Clc1ccc(cc1)Cl,1.138
-Clc1ccc(cc1)Oc1ccc(cc1)NC(=O)N(C)C,1.992
-Clc1ccc(cc1)S(=O)(=O)c1cc(Cl)c(cc1Cl)Cl,1.7110000000000003
-Clc1ccc(cc1)[N+](=O)[O-],1.3099999999999996
-Clc1ccc(cc1)c1ccc(cc1Cl)Cl,3.2089999999999996
-Clc1ccc(cc1)c1ccccc1,2.6260000000000003
-Clc1ccc(cc1Cl)c1ccc(c(c1)Cl)Cl,5.16
-Clc1ccc(cc1c1cc(Cl)ccc1Cl)Cl,3.99
-Clc1ccc2c(c1)C(=NCc1n2c(C)nc1)c1ccccc1F,3.2119999999999997
-Clc1ccc2c(c1)cccc2,2.5
-Clc1cccc(c1)Cl,1.3040000000000003
-Clc1cccc(c1)[N+](=O)[O-],0.8399999999999999
-Clc1cccc(c1)c1ccccc1,2.641
-Clc1cccc2c1cccc2,2.0090000000000003
-Clc1ccccc1,0.9180000000000001
-Clc1ccccc1Cl,1.787
-CN1C2=C(C(=O)N(C1=O)C)NC=N2,-0.42799999999999994
-CN1C=C(c2ccccc2)C(=O)C(=C1)c1cccc(c1)C(F)(F)F,1.9000000000000004
-CN1C=NC2=C1C(=O)N(C(=O)N2C)C,0.028000000000000018
-FCC(F)(F)F,-0.9820000000000002
-C1=C(C(=O)NC(=O)N1)F,0.7160000000000002
-OC(=O)C1=CN(C2CC2)c2cc(N3CCNCC3)c(F)cc2C1=O,0.742
-Fc1ccc(cc1)C1(Cn2cncn2)OC1c1ccccc1Cl,1.5789999999999997
-Fc1ccc(cc1)C1CCNCC1COc1ccc2c(c1)OCO2,2.7539999999999996
-CC1=C(CCN2CCC(CC2)c2noc3cc(F)ccc23)C(=O)N2CCCCC2=N1,1.835
-N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C(c1ccc(cc1)Cl)C(C)C,5.582000000000001
-N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)/C=C(/C(F)(F)F)\Cl,5.678000000000001
-N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C(C(Br)(Br)Br)Br,6.945
-N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,6.063000000000001
-N#CN/C(=N\C)/NCCSCc1[nH]cnc1C,-0.467
-N#CSCC(=O)OC1CC2C(C1(C)CC2)(C)C,3.4749999999999996
-N#CSCSC#N,3.2510000000000003
-N#CC(c1ccc(c(c1)Oc1ccccc1)F)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,6.132999999999999
-N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Br)Br,7.047000000000001
-N#Cc1ccc2c(c1)COC2(CCCN(C)C)c1ccc(cc1)F,1.92
-N#Cc1ncccn1,0.33999999999999986
-NC(=Nc1scc(n1)CSCCC(=NS(=O)(=O)N)N)N,-0.07200000000000002
-NC(=O)C=C,-0.351
-NC(=O)CC(C(=O)NC(C(CN1CC2CCCCC2CC1C(=O)NC(C)(C)C)O)Cc1ccccc1)NC(=O)c1ccc2c(n1)cccc2,1.2699999999999996
-NC(=O)N1c2ccccc2C=Cc2c1cccc2,1.234
-NC(=O)c1c(Cl)cccc1Cl,-0.6520000000000001
-NC(=S)N,0.8839999999999999
-NC(=S)Nc1ccccc1,0.476
-NCC=C,0.13300000000000006
-NCCN,0.3580000000000001
-NNC(=O)c1ccncc1,0.7749999999999999
-Nc1cc(Cl)cc(c1)Cl,2.16
-Nc1ccc(c(c1Cl)Cl)Cl,2.4299999999999997
-Nc1ccc(cc1)Cl,3.409
-Nc1cccc(c1)N,1.263
-Nc1ccccc1,2.3710000000000004
-C1CC(OC1CO)N2C=CC(=NC2=O)N,-0.9279999999999999
-Nc1nc(N)c2c(n1)nc(c(n2)c1ccccc1)N,1.404
-O1CC1,-0.6680000000000001
-O1CC1c1ccccc1,1.0179999999999998
-O=C(C(C)C)Nc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-],2.301
-O=C(C1C(C1(C)C)C=C(C(F)(F)F)Cl)OCc1cccc(c1C)c1ccccc1,5.112
-O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1)Cl,4.802
-O=C(Nc1ccc(c(c1)Cl)Cl)Nc1ccc(cc1)Cl,4.478
-O=C1C2(Cl)C3(C4(C1(Cl)C1(C2(C3(Cl)C(C41Cl)(Cl)Cl)Cl)Cl)Cl)Cl,3.394
-O=C1C=C(C)C(=O)C(=C1C)C,2.0010000000000003
-O=C1C=C(C)C(=O)c2c1cccc2,2.545
-O=C1C=CC2(C(N1)CCC1C2CCC2(C1CCC2C(=O)NC(C)(C)C)C)C,1.2489999999999997
-O=C1CCC2(C(=C1)CCC1C2CCC2(C1CCC2O)C)C,2.17
-O=C1CNC(=S)N1,0.7690000000000001
-O=C1NC(=O)N(C1)/N=C/c1ccc(o1)[N+](=O)[O-],0.508
-O=C1NCCN1,-1.812
-O=C1OCC(=C1)C1CCC2(C1(C)CCC1C2CCC2C1(C)CCC(C2)OC1CC(O)C(C(O1)C)OC1CC(O)C(C(O1)C)OC1CC(O)C(C(O1)C)O)O,0.8839999999999999
-O=C1OCC(=C1)C1CCC2(C1(C)C(O)CC1C2CCC2C1(C)CCC(C2)OC1CC(O)C(C(O1)C)OC1CC(O)C(C(O1)C)OC1CC(O)C(C(O1)C)O)O,1.5659999999999998
-O=CCCCC=O,0.7879999999999998
-O=CN(C)C,-2.296
-O=Cc1ccc(c(c1O)O)O,0.669
-O=Cc1ccccc1,0.976
-O=N(=O)c1ccccc1O,1.024
-O=NN(c1ccccc1)c1ccccc1,1.4029999999999996
-O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1,2.5119999999999996
-O=S(c1nc2c([nH]1)cccc2)Cc1nccc(c1C)OCC(F)(F)F,1.2249999999999996
-O=S1(=O)C=Cc2c1cccc2,1.072
-O=S1(=O)c2ccccc2c2c1cccc2,1.5700000000000003
-O=S1OCC2C(CO1)C1(C(C2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl,3.075
-O=C1NC(=S)NC=C1,1.221
-O=C1Oc2ccccc2C=C1,1.032
-CN1C(=NC(=O)N(C1=O)C2CCCCC2)N(C)C,0.2200000000000002
-O=S1c2ccccc2-c2ccccc12,1.0010000000000003
-OC(=O)C(OC(=O)c1cc(ccc1N(=O)=O)Oc1ccc(cc1Cl)C(F)(F)F)C,1.5010000000000003
-OC(=O)C(c1cccc(c1)C(=O)c1ccccc1)C,0.5990000000000002
-OC(=O)C1(C)CCCC2(C1CCc1c2ccc(c1)C(C)C)C,1.5599999999999996
-OC(=O)CN(CC(=O)O)CC(=O)O,-0.2639999999999998
-OC(=O)COc1ccc(cc1C)Cl,0.04700000000000018
-OC(=O)COc1ccc(cc1Cl)Cl,0.7829999999999999
-OC(=O)C1C2C3(C4C51CC(=C)C(C5)(O)CC4)C=CC(C2(C)C(=O)O3)O,1.1870000000000003
-OC(=O)c1ccccc1O,0.06800000000000007
-OC(=O)c1nc(Cl)c(c(c1Cl)N)Cl,0.6440000000000001
-OC(C(C)(C)C)C(n1ncnc1)Cc1ccc(cc1)Cl,1.0099999999999998
-OC(COc1cc(C)c(c(c1C)C)OC(=O)C)CNC(C)C,0.9169999999999998
-OC(COc1ccc(cc1)CC(=O)N)CNC(C)C,0.9020000000000002
-OC(COc1cccc2c1CC(O)C(C2)O)CNC(C)(C)C,0.27700000000000014
-OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C,1.3049999999999997
-OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2C=C(C2=CC(=O)C=CC12C)Cl,0.9609999999999999
-OCC(C)C,-1.18
-OCC(Cl)(Cl)Cl,0.001999999999999795
-OCCNCCO,-0.04300000000000016
-OCCO,-2.878
-OCCOCC,-1.93
-OCCOCCOCC,-1.47
-OCC1OC(OC2C(OC3C(O)C(O)C(C(C3N=C(N)N)O)N=C(N)N)OC(C2(O)C=O)C)C(C(C1O)O)NC,0.07699999999999992
-OCC(C(c1ccc(cc1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl,0.024999999999999942
-OCC1OC(C(C1OC1OC(CN)C(C(C1N)O)O)O)OC1C(O)C(N)CC(C1OC1OC(CO)C(C(C1N)O)O)N,0.08800000000000009
-OC1CC(=CC(C1O)O)C(=O)O,0.17700000000000002
-OC1CC2(C)C(CC1O)C(=O)C=C1C2CCC2(C1(O)CCC2C(C(CCC(O)(C)C)O)(O)C)C,2.2910000000000004
-Oc1ccc(c(c1)C)Cl,1.8520000000000003
-Oc1ccc(cc1)Br,1.4640000000000004
-Oc1ccc(cc1)Cl,1.4260000000000002
-Oc1ccc(cc1)[N+](=O)[O-],1.016
-Oc1ccc(cc1)c1ccccc1,1.6680000000000001
-Oc1ccc2c(c1)CCC1C2CCC2(C1CCC2O)C,1.9619999999999997
-Oc1ccc2c(c1)cccc2,1.6100000000000003
-Oc1ccccc1,0.8500000000000001
-Oc1ccccc1Cl,1.2380000000000004
-Oc1ccccc1c1ccccc1,2.38
-S=C1NCCN1,0.589
-S=C=NC(=O)c1ccccc1,1.9320000000000004
-S=C=NCCc1ccccc1,3.099
-S=C=NCc1ccccc1,3.54
-S=C=Nc1ccc(cc1)N=C=S,3.399
-S=C=Nc1ccccc1,3.1310000000000002
-S=C=S,1.5599999999999996
-S=P(N1CC1)(N1CC1)N1CC1,-0.45999999999999996
-SC1=Nc2ccccc2S1,1.4939999999999998
-SCC(C(CS)O)O,0.758
-[O-][N+](=O)NC1=NCCN1Cc1ccc(nc1)Cl,1.1680000000000001
-[O-][N+](=O)OC(CO[N+](=O)[O-])CO[N+](=O)[O-],0.8500000000000001
-[O-][N+](=O)OCCOCCO[N+](=O)[O-],0.3389999999999999
-[O-][N+](=O)c1c(C)cccc1[N+](=O)[O-],2.441
-[O-][N+](=O)c1cc(C(=O)N)c(c(c1)[N+](=O)[O-])C,0.1379999999999999
-[O-][N+](=O)c1cc(C)c(c(c1)[N+](=O)[O-])O,1.79
-[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C,1.3899999999999997
-[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])O,0.43000000000000016
-[O-][N+](=O)c1ccc(c(c1)C)C,0.9780000000000002
-[O-][N+](=O)c1ccc(c(c1)Cl)N,1.4889999999999999
-[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])C,0.718
-[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])Cl,2.402
-[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])O,1.6059999999999999
-[O-][N+](=O)c1cccc(c1)[N+](=O)[O-],0.5910000000000002
-[O-][N+](=O)c1cccc(c1C)C,1.5579999999999998
-[O-][N+](=O)c1cccc(c1C)Cl,1.6109999999999998
-[O-][N+](=O)c1cccc(c1Cl)Cl,1.62
-[O-][N+](=O)c1ccccc1,0.6150000000000002
-[O-][N+](=O)c1ccccc1C,1.1399999999999997
-c1cc2cccc3c2c(c1)CC3,0.5750000000000002
-c1cc[n+]2c(c1)c1cccc[n+]1CC2,2.01
-c1ccc(cc1)Oc1ccccc1,2.433
-c1ccc(cc1)c1ccccc1,1.9089999999999998
-c1ccc2c(c1)[nH]c1c2cccc1,1.7000000000000002
-c1ccc2c(c1)[nH]cc2,2.069
-c1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3,3.0039999999999996
-c1ccc2c(c1)c1cccc3c1c2ccc3,3.2809999999999997
-c1ccc2c(c1)c1ccccc1cc2,2.4059999999999997
-c1ccc2c(c1)cc1c(c2)cccc1,3.7
-c1ccc2c(c1)ccc1c2c2ccccc2o1,1.737
-c1ccc2c(c1)ccc1c2c2ccccc2s1,3.027
-c1ccc2c(c1)cccc2,1.1470000000000002
-c1ccc2c(c1)cncc2,0.7109999999999999
-c1ccc2c(c1)nc1c(c2)cccc1,1.851
-c1ccc2c(c1)nccc2,0.5299999999999998
-c1ccc2c(c1)sc(n2)SSc1nc2c(s1)cccc2,0.6190000000000002
-c1ccc2c(c1)sc1c2cccc1,2.5970000000000004
-c1ccc2c(c1)scc2,0.3570000000000002
-c1cccnc1,-1.185
-c1cccs1,-0.5790000000000002
-c1coc(c1)CNc1ncnc2c1[nH]cn2,2.0540000000000003
-BrC1CCCCC1,0.8900000000000001
-C/C=C/CC(C(C1C(=O)NC(CC)C(=O)N(C)CC(=O)N(C)C(CC(C)C)C(=O)NC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)O)C,1.779
-C=C1C2CCC(C1(C)C)C2,0.7919999999999998
-C=CC=O,2.9930000000000003
-CC#N,-1.943
-CC(=O)OC(C1CCC(=CC1)C)(C)C,1.8860000000000001
-CC(=O)OC1CCC2C1(C)C=CC1=C3CCC(=O)C=C3CCC21,2.5410000000000004
-CC(=S)N,0.6379999999999999
-CC(CC(O)(C)C)O,-1.78
-CC(COc1ccccc1)O,-0.3860000000000001
-CC(OC(=O)Nc1cccc(c1)Cl)C,1.7619999999999996
-CC(OP(=O)(OC(C)C)C)C,-0.17099999999999982
-CC/C(=C(\c1ccc(cc1)O)/CC)/c1ccc(cc1)O,2.37
-CC1CCCCC1,1.819
-CCCCCC=O,1.0389999999999997
-CCCCCCCC,2.4699999999999998
-CCCCCCCCCC,2.2990000000000004
-CCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC,3.194
-CCCCNC(=S)NCCCC,0.52
-CCCCOP(=O)(OCCCC)OCCCC,1.862
-CCCCSP(=O)(SCCCC)SCCCC,4.676
-CCCN(C(=O)n1cncc1)CCOc1c(Cl)cc(cc1Cl)Cl,1.9429999999999996
-CCCN(c1c(cc(cc1[N+](=O)[O-])C(C)C)[N+](=O)[O-])CCC,4.012
-CCN(C(=O)SCc1ccc(cc1)Cl)CC,2.548
-CCN(C(=O)c1cccc(c1)C)CC,0.07799999999999985
-CCN(C(=S)SSC(=S)N(CC)CC)CC,2.976
-CCNC(=S)N,0.9359999999999999
-CCNCC,0.11799999999999988
-CCNc1ccccc1,2.46
-CCNc1nc(NC(C)C)nc(n1)Cl,0.601
-CCNc1nc(NCC)nc(n1)SC,0.6299999999999999
-CCOC(=O)C,-0.9100000000000001
-CCOP(=O)(N1CCSC1=O)SC(CC)C,2.7619999999999996
-CCOP(=O)(OC(=CCl)c1ccc(cc1Cl)Cl)OCC,3.5599999999999996
-CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C,5.1129999999999995
-CCOP(=S)(OP(=S)(OCC)OCC)OCC,6.15
-CCc1ccccc1,1.5019999999999998
-CN(C(=N)N=C(N)N)C,-1.017
-CN(CC/C=C/1\c2ccccc2CCc2c1cccc2)C,2.551
-CN=C=S,2.418
-CNC,-0.041999999999999836
-CNC(=O)ON=C(SC)C,3.9640000000000004
-CNC(=O)Oc1ccccc1OC(C)C,1.9100000000000001
-CNC(=S)NC,0.8250000000000002
-CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F,2.7830000000000004
-CO/C=C(\c1ccccc1Oc1ncnc(c1)Oc1ccccc1C#N)/C(=O)OC,3.3890000000000002
-COC(=O)C1=C(C)NC(=C(C1c1ccccc1[N+](=O)[O-])C(=O)OCC(C)C)C,1.0709999999999997
-COC(=O)Nc1nc2c([nH]1)cccc2,3.1189999999999998
-COC1=CC(=O)CC(C21Oc1c(C2=O)c(OC)cc(c1Cl)OC)C,-0.4940000000000002
-COP(=O)(OC=C(Cl)Cl)OC,6.099
-COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC,2.5999999999999996
-COc1cc2c(cc1OC)OCC1C2C(=O)c2c(O1)c1CC(Oc1cc2)C(=C)C,5.0280000000000005
-COc1ccc(cc1)C(C(Cl)(Cl)Cl)c1ccc(cc1)OC,4.087
-COc1ccc2c(c1)ccc(c2)C(C(=O)O)C,0.794
-CS(=O)C,-2.505
-C[n+]1ccc(cc1)c1cc[n+](cc1)C,1.8230000000000004
-Cc1c2ccccc2cc2c1cccc2,3.1900000000000004
-Cc1cc(C)cc(c1)C,1.2999999999999998
-Cc1ccc(cc1)[N+](=O)[O-],1.0099999999999998
-Cc1cccc(c1O)C,1.0380000000000003
-Cc1ccccc1,0.001999999999999795
-Cc1ccccc1N,2.3120000000000003
-ClC1C2C(C3C1(Cl)O3)C1(C(C2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl,2.513
-ClCC(Cl)Cl,0.492
-ClCCCCl,-0.3919999999999999
-ClCCOCCCl,-0.22199999999999998
-ClCCl,-0.34100000000000014
-ClC1C(Cl)C(Cl)C(C(C1Cl)Cl)Cl,2.3890000000000002
-Clc1c(N)cc(c(c1Cl)Cl)Cl,2.559
-Clc1c(O)cc(c(c1Cl)Cl)Cl,2.76
-Clc1cc(Cl)c(c(c1Cl)O)Cl,2.6100000000000003
-Clc1cc(Cl)c(cc1C)Cl,2.55
-Clc1ccc(c(c1)[N+](=O)[O-])Cl,1.2510000000000003
-Clc1ccc(c(c1)c1cc(Cl)c(cc1Cl)Cl)Cl,4.509
-Clc1ccc(c(c1)c1ccccc1Cl)Cl,3.67
-Clc1ccc(cc1)CCC(C(C)(C)C)(Cn1cncn1)O,2.0199999999999996
-Clc1ccc2c(c1)C(=NCC(=O)N2C)c1ccccc1,1.8209999999999997
-Clc1ccccc1c1ccccc1,2.4219999999999997
-N#Cc1c(Cl)c(C#N)c(c(c1Cl)Cl)Cl,3.21
-NC(=O)N/N=C/c1ccc(o1)[N+](=O)[O-],0.839
-Nc1ccc(c(c1)Cl)Cl,2.4370000000000003
-Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N,2.3810000000000002
-Nc1cccc(c1)Cl,3.1079999999999997
-Nc1ccccc1Cl,2.1900000000000004
-NC1=NC(=S)c2nc[nH]c2N1,1.0060000000000002
-O/C=C\1/CC2(C)C(CC1=O)CCC1C2CCC2(C1CCC2(C)O)C,1.5350000000000001
-O=C(C1C(C1(C)C)C=C1CCCC1)OCc1coc(c1)Cc1ccccc1,5.164
-O=C1CCCN1C,1.9059999999999997
-O=C1CN=C(c2c(N1)ccc(c2)[N+](=O)[O-])c1ccccc1Cl,1.0220000000000002
-O=C1NCC(O1)COc1cc(C)cc(c1)C,0.47000000000000014
-O=Cc1ccccc1O,1.4619999999999997
-OC(=O)/C=C\C(=O)O,-0.23600000000000018
-OC(=O)C(Oc1ccc(cc1)Cl)(C)C,0.4740000000000002
-OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O,0.1030000000000002
-OC(=O)CNCP(=O)(O)O,0.9079999999999998
-OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl,1.1210000000000004
-OCCCl,-0.42099999999999976
-OCCN(C)C,-0.04099999999999992
-OCCOCCOCCO,-2.54
-Oc1c(Cl)cc(c(c1Cl)Cl)Cl,3.1100000000000003
-Oc1cc(Cl)c(c(c1)Cl)Cl,2.4610000000000003
-S=C(Nc1ccccc1)Nc1ccccc1,0.5310000000000001
-S=C1SSC2=NCCN12,2.9219999999999997
-[O-][N+](=O)c1ccccc1Cl,0.6400000000000001
-c1cc2ccc3c4c2c(c1)ccc4ccc3,3.173
-c1ccc(cc1)NNc1ccccc1,1.6509999999999998
-c1ccc2c(c1)Oc1c(C2)cccc1,0.9529999999999998
-c1ccc2c(c1)cc1c(c2)ccc2c1cccc2,3.2190000000000003
-c1ccc2c(c1)oc1c2cccc1,1.995
-c1ccccc1,-0.52
+CAS-RN,SMILES,-log[LC50_mmol/L]
+75-25-2,BrC(Br)Br,0.7400000000000002
+598-16-3,BrC=C(Br)Br,1.33
+60348-60-9,Brc1ccc(c(c1)Br)Oc1cc(Br)c(cc1Br)Br,4.019
+5436-43-1,Brc1ccc(c(c1)Br)Oc1ccc(cc1Br)Br,3.723
+101-55-3,Brc1ccc(cc1)Oc1ccccc1,2.979
+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)C(=O)OC)/C,3.064
+4180-23-8,C/C=C/c1ccc(cc1)OC,4.337
+77-73-6,C1=CC2C(C1)C1C=CC2C1,1.0999999999999996
+110-83-8,C1CCC=CC1,0.9409999999999998
+287-92-3,C1CCCC1,0.8090000000000002
+110-82-7,C1CCCCC1,1.3399999999999999
+110-89-4,C1CCCNC1,0.9300000000000002
+121-29-9,C=C/C=C/CC1=C(C)C(CC1=O)OC(=O)C1C(C1(C)C)/C=C(/C(=O)OC)\C,4.371
+107-13-1,C=CC#N,0.7799999999999998
+224452-66-8,C=CC1(C)CC(OC(=O)CSC2CC3CCC(C2)N3C)C2(C)C(C)CCC3(C(C1O)C)C2C(=O)CC3,1.112
+100-42-5,C=Cc1ccccc1,0.5329999999999999
+74-83-9,CBr,1.6319999999999997
+26002-80-2,CC(=CC1C(C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)C,4.693
+67-64-1,CC(=O)C,-2.327
+123-54-6,CC(=O)CC(=O)C,0.323
+81-81-2,CC(=O)CC(C1=C(O)c2ccccc2OC1=O)c3ccccc3,-0.044999999999999894
+103-90-2,CC(=O)Nc1ccc(cc1)O,1.2160000000000002
+104227-87-4,CC(=O)OCC(CCn1cnc2c1nc(N)nc2)COC(=O)C,-0.40700000000000003
+5417-35-6,CC(C1OCC=CCO1)C,-0.7280000000000002
+35723-83-2,CC(CCCCCCCCCCN(CCCCCCCCCCC(C)C)CCCCCCCCCCC(C)C)C,2.96
+57157-80-9,CC(CCCCCCCCCCNCCCCCCCCCCC(C)C)C,3.537
+29761-21-5,CC(CCCCCCCOP(=O)(Oc1ccccc1)Oc1ccccc1)C,4.1
+13408-56-5,CC(CCC(C(C1CCC2(C1(C)CCC1C2=CC(=O)C2C1(C)CC(O)C(C2)O)O)(O)C)O)C,3.4240000000000004
+15687-27-1,CC(Cc1ccc(cc1)C(C(=O)O)C)C,1.3550000000000004
+67306-00-7,CC(Cc1ccc(cc1)C(C)(C)C)CN1CCCCC1,2.721
+67564-91-4,CC(Cc1ccc(cc1)C(C)(C)C)CN1CC(C)OC(C1)C,2.1020000000000003
+71-55-6,CC(Cl)(Cl)Cl,0.718
+1717-00-6,CC(Cl)(Cl)F,0.577
+2303-17-5,CC(N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C)C,3.458
+108-18-9,CC(NC(C)C)C,-0.6480000000000001
+3930-20-9,CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C,-0.041999999999999836
+5964-62-5,CC(c1cc(/N=N/c2ccc(cc2)S(=O)(=O)c2ccc(cc2)/N=N/c2cc(C(C)C)c(cc2C)O)c(cc1O)C)C,2.4400000000000004
+79-94-7,CC(c1cc(Br)c(c(c1)Br)O)(c1cc(Br)c(c(c1)Br)O)C,1.838
+3547-04-4,CC(c1ccc(cc1)Cl)c1ccc(cc1)Cl,3.8579999999999997
+140-66-9,CC(c1ccc(cc1)O)(CC(C)(C)C)C,3.3600000000000003
+80-05-7,CC(c1ccc(cc1)O)(c1ccc(cc1)O)C,1.3010000000000002
+98-82-8,CC(c1ccccc1)C,0.7719999999999998
+578-54-1,CCc1ccccc1N,1.1790000000000003
+78-59-1,CC1=CC(=O)CC(C1)(C)C,0.06099999999999994
+99-86-5,CC1=CC=C(CC1)C(C)C,1.867
+5989-27-5,CC1=CCC(CC1)C(=C)C,2.373
+80-56-8,CC1=CCC2CC1C2(C)C,0.5219999999999998
+75-07-0,CC=O,-2.45
+709-98-8,CCC(=O)Nc1ccc(c(c1)Cl)Cl,1.7140000000000004
+79-09-4,CCC(=O)O,0.16999999999999996
+149-31-5,CCC(C(CO)C)O,-1.78
+78-99-9,CCC(Cl)Cl,0.6309999999999998
+40487-42-1,CCC(Nc1c(cc(c(c1[N+](=O)[O-])C)C)[N+](=O)[O-])CC,0.7250000000000001
+88-85-7,CCC(c1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-])C,3.0
+3766-81-2,CCC(c1ccccc1OC(=O)NC)C,3.3200000000000003
+50-06-6,CCC1(C(=O)NC(=O)NC1=O)c1ccccc1,-0.7989999999999999
+123-38-6,CCC=O,-0.18500000000000003
+37517-30-9,CCCC(=O)Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)C)O,0.819
+107-92-6,CCCC(=O)O,0.16000000000000017
+60207-90-1,CCCC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Cl,1.7199999999999998
+51333-22-3,CCCC1OC2C(O1)(C(=O)CO)C1(C(C2)C2CCC3=CC(=O)C=CC3(C2C(C1)O)C)C,1.3330000000000002
+109-66-0,CCCCC,0.8700000000000001
+109-52-4,CCCCC(=O)O,0.3580000000000001
+149-57-5,CCCCC(C(=O)O)CC,0.08000000000000007
+104-76-7,CCCCC(CO)CC,0.1150000000000002
+103-23-1,CCCCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CC,2.7489999999999997
+117-81-7,CCCCC(COC(=O)c1ccccc1C(=O)OCC(CCCC)CC)CC,1.5499999999999998
+1241-94-7,CCCCC(COP(=O)(Oc1ccccc1)Oc1ccccc1)CC,3.383
+110-54-3,CCCCCC,1.3399999999999999
+96829-58-2,CCCCCCCCCCCC(CC1OC(=O)C1CCCCCC)OC(=O)C(CC(C)C)NC=O,1.8499999999999996
+104-40-5,CCCCCCCCCc1ccc(cc1)O,3.064
+1806-26-4,CCCCCCCCc1ccc(cc1)O,3.3600000000000003
+26530-20-1,CCCCCCCCn1sccc1=O,3.074
+111-70-6,CCCCCCCO,0.22599999999999995
+154361-50-9,CCCCCOC(=O)NC1=NC(=O)N(C=C1F)C2C(C(C(O2)C)O)O,-0.3740000000000001
+1114-71-2,CCCCN(C(=O)SCCC)CC,1.4740000000000002
+592-82-5,CCCCN=C=S,2.4290000000000003
+55406-53-6,CCCCNC(=O)OCC#CI,3.848
+1516-32-1,CCCCNC(=S)N,0.8500000000000001
+84-74-2,CCCCOC(=O)c1ccccc1C(=O)OCCCC,1.8780000000000001
+85-68-7,CCCCOC(=O)c1ccccc1C(=O)OCc1ccccc1,2.1900000000000004
+142-96-1,CCCCOCCCC,0.7000000000000002
+51-03-6,CCCCOCCOCCOCc1cc2OCOc2cc1CCC,2.2910000000000004
+2528-36-1,CCCCOP(=O)(Oc1ccccc1)OCCCC,3.042
+104-51-8,CCCCc1ccccc1,2.548
+759-94-4,CCCN(C(=O)SCC)CCC,1.6079999999999997
+2556-42-5,CCCN(C(=S)SSC(=S)N(CCC)CCC)CCC,3.1879999999999997
+1582-09-8,CCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CCC,3.24
+71-23-8,CCCO,-2.065
+24579-73-5,CCCOC(=O)NCCCN(C)C,0.25
+107-03-9,CCCS,3.1020000000000003
+13194-48-4,CCCSP(=O)(SCCC)OCC,3.5789999999999997
+54965-21-8,CCCSc1ccc2c(c1)nc([nH]2)NC(=O)OC,4.044
+29232-93-7,CCN(c1nc(cc(n1)C)OP(=S)(OC)OC)CC,6.140000000000001
+542-85-8,CCN=C=S,2.308
+105-55-5,CCNC(=S)NCC,-0.16199999999999992
+2741-06-2,CCNC(=S)Nc1ccccc1,0.351
+122-34-9,CCNc1nc(NCC)nc(n1)Cl,0.33099999999999996
+21725-46-2,CCNc1nc(nc(n1)Cl)NC(C#N)(C)C,3.447
+64-17-5,CCO,-2.41
+77501-63-4,CCOC(=O)C(OC(=O)c1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)C(F)(F)F)C,2.0300000000000002
+105-37-3,CCOC(=O)CC,-0.17300000000000004
+105-53-3,CCOC(=O)CC(=O)OCC,-0.10099999999999999
+121-75-5,CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC,5.349
+84-66-2,CCOC(=O)c1ccccc1C(=O)OCC,0.6030000000000001
+20485-39-6,CCOC(=O)c1ocnc1C,-0.3319999999999999
+60-29-7,CCOCC,-1.27
+311-45-5,CCOP(=O)(Oc1ccc(cc1)[N+](=O)[O-])OCC,6.141
+786-19-6,CCOP(=S)(OCC)SCSc1ccc(cc1)Cl,3.442
+333-41-5,CCOP(=S)(Oc1cc(C)nc(n1)C(C)C)OCC,5.564
+56-38-2,CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])OCC,5.15
+2921-88-2,CCOP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OCC,5.849
+13071-79-9,CCOP(=S)(SCSC(C)(C)C)OCC,5.207000000000001
+59-06-3,CCOc1cc(ccc1C(=O)OC)NC(=O)C,0.07200000000000006
+91-53-2,CCOc1ccc2c(c1)C(=CC(N2)(C)C)C,2.0359999999999996
+944-22-9,CCP(=S)(Sc1ccccc1)OCC,4.483
+75-08-1,CCS,2.5620000000000003
+2212-67-1,CCSC(=O)N1CCCCCC1,1.4370000000000003
+298-02-2,CCSCSP(=S)(OCC)OCC,4.128
+114-07-8,CCC1OC(=O)C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C)C(OC2OC(C)CC(C2O)N(C)C)C(CC(C(=O)C(C(C1(C)O)O)C)C)(C)O,0.27700000000000014
+83905-01-5,CCC1OC(=O)C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C)C(OC2OC(C)CC(C2O)N(C)C)C(CC(CN(C(C(C1(C)O)O)C)C)C)(C)O,0.7949999999999999
+81103-11-9,CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(C(O2)C)O)C(C)C(OC2OC(C)CC(C2O)N(C)C)C(CC(C(=O)C(C(C1(C)O)O)C)C)(C)OC,1.6020000000000003
+112410-23-8,CCc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,1.3070000000000004
+589-16-2,CCc1ccc(cc1)N,3.13
+104-90-5,CCc1ccc(nc1)C,0.4809999999999998
+58-14-0,CCc1nc(N)nc(c1c1ccc(cc1)Cl)N,1.6319999999999997
+98079-51-7,CCN1C=C(C(O)=O)C(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c12,0.432
+632-22-4,CN(C(=O)N(C)C)C,-1.399
+23103-98-2,CN(C(=O)Oc1nc(nc(c1C)C)N(C)C)C,4.037
+2782-91-4,CN(C(=S)N(C)C)C,-0.7679999999999998
+6972-05-0,CN(C(=S)N)C,0.3919999999999999
+97-74-5,CN(C(=S)SC(=S)N(C)C)C,1.8579999999999997
+137-26-8,CN(C(=S)SSC(=S)N(C)C)C,3.059
+15263-53-3,CN(C(CSC(=O)N)CSC(=O)N)C,4.378
+680-31-9,CN(P(=O)(N(C)C)N(C)C)C,-1.57
+57-62-5,CN(C1C(=C(C(=O)N)C(=O)C2(C1CC1C(=C2O)C(=O)c2c(C1(C)O)c(Cl)ccc2O)O)O)C,0.5729999999999998
+60-54-8,CN(C1C(=C(C(=O)N)C(=O)C2(C1CC1C(=C2O)C(=O)c2c(C1(C)O)cccc2O)O)O)C,3.4299999999999997
+121-69-7,CN(c1ccccc1)C,1.3849999999999998
+4104-75-0,CN(c1ccccc1)C(=S)N,0.298
+66357-35-5,CN/C(=C/[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C,-0.31499999999999995
+54-11-5,CN1CCCC1c1cccnc1,1.7329999999999997
+82419-36-1,CC1COc2c(N3CCN(C)CC3)c(F)cc3C(=O)C(=CN1c23)C(O)=O,0.6739999999999999
+533-74-4,CN1CN(C)CSC1=S,2.4699999999999998
+6923-22-4,CNC(=O)/C=C(/OP(=O)(OC)OC)\C,2.76
+60-51-5,CNC(=O)CSP(=S)(OC)OC,2.13
+23135-22-0,CNC(=O)O/N=C(/C(=O)N(C)C)\SC,2.12
+1646-88-4,CNC(=O)O/N=C/C(S(=O)(=O)C)(C)C,2.9000000000000004
+116-06-3,CNC(=O)O/N=C/C(SC)(C)C,2.551
+1563-66-2,CNC(=O)Oc1cccc2c1OC(C2)(C)C,3.5199999999999996
+22781-23-3,CNC(=O)Oc1cccc2c1OC(O2)(C)C,3.883
+63-25-2,CNC(=O)Oc1cccc2c1cccc2,2.942
+598-52-7,CNC(=S)N,0.9790000000000001
+2489-77-2,CNC(=S)N(C)C,-0.8119999999999998
+103628-48-4,CNS(=O)(=O)Cc1ccc2c(c1)c(CCN(C)C)c[nH]2,0.008000000000000018
+100-61-8,CNc1ccccc1,2.79
+67-56-1,CO,-2.011
+141517-21-7,CO/N=C(\c1ccccc1CO/N=C(/c1cccc(c1)C(F)(F)F)\C)/C(=O)OC,2.742
+175013-18-0,COC(=O)N(c1ccccc1COc1ccn(n1)c1ccc(cc1)Cl)OC,3.7560000000000002
+23564-05-8,COC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OC,1.33
+13684-63-4,COC(=O)Nc1cccc(c1)OC(=O)Nc1cccc(c1)C,1.6520000000000001
+131-11-3,COC(=O)c1ccccc1C(=O)OC,0.77
+40596-69-8,COC(CCCC(C/C=C/C(=C/C(=O)OC(C)C)/C)C)(C)C,2.4749999999999996
+70630-17-0,COCC(=O)N(c1c(C)cccc1C)C(C(=O)OC)C,0.536
+51218-45-2,COCC(N(c1c(C)cccc1CC)C(=O)CCl)C,1.3390000000000004
+107-98-2,COCC(O)C,-2.41
+108-65-6,COCC(OC(=O)C)C,-0.4889999999999999
+20324-32-7,COCC(OCC(O)C)C,-1.112
+52-68-6,COP(=O)(C(C(Cl)(Cl)Cl)O)OC,4.699
+30560-19-1,COP(=O)(NC(=O)C)SC,1.1070000000000002
+10265-92-6,COP(=O)(SC)N,3.6180000000000003
+122-14-5,COP(=S)(Oc1ccc(c(c1)C)[N+](=O)[O-])OC,4.671
+298-00-0,COP(=S)(Oc1ccc(cc1)[N+](=O)[O-])OC,4.341
+86-50-0,COP(=S)(OC)SCN1N=Nc2ccccc2C1=O,4.858
+1825-21-4,COc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,4.012
+2539-17-5,COc1c(O)c(Cl)c(c(c1Cl)Cl)Cl,3.176
+57057-83-7,COc1c(O)cc(c(c1Cl)Cl)Cl,2.527
+83-66-9,COc1c([N+](=O)[O-])c(C)c(cc1C(C)(C)C)[N+](=O)[O-],2.636
+2668-24-8,COc1cc(Cl)c(c(c1O)Cl)Cl,2.372
+104-94-9,COc1ccc(cc1)N,2.5709999999999997
+19937-59-8,COc1ccc(cc1Cl)NC(=O)N(C)C,0.1549999999999998
+73590-58-6,COc1ccc2c(c1)nc([nH]2)S(=O)Cc1ncc(c(c1C)OC)C,0.5939999999999999
+536-90-3,COc1cccc(c1)N,2.6420000000000003
+150-19-6,COc1cccc(c1)O,0.48
+100-66-3,COc1ccccc1,0.432
+90-04-0,COc1ccccc1N,1.0110000000000001
+90-05-1,COc1ccccc1O,0.6800000000000002
+72956-09-3,COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O,2.1319999999999997
+55-38-9,CSc1ccc(cc1C)OP(=S)(OC)OC,3.79
+28159-98-0,CSc1nc(NC2CC2)nc(n1)NC(C)(C)C,1.4850000000000003
+30125-65-6,CSc1nc(nc(n1)N)NC(C)(C)C,1.2880000000000003
+95-93-2,Cc1cc(C)c(cc1C)C,2.45
+95-36-3,Cc1ccc(c(c1)C)C,1.5300000000000002
+105-67-9,Cc1ccc(c(c1)C)O,1.7649999999999997
+106-42-3,Cc1ccc(cc1)C,0.524
+134308-13-7,Cc1ccc(cc1)C(=O)c1cc(O)c(c(c1)[N+](=O)[O-])O,1.1399999999999997
+99-87-6,Cc1ccc(cc1)C(C)C,1.3170000000000002
+106-43-4,Cc1ccc(cc1)Cl,1.9329999999999998
+106-44-5,Cc1ccc(cc1)O,0.71
+877-43-0,Cc1ccc2c(c1)ccc(n2)C,0.6179999999999999
+91-57-6,Cc1ccc2c(c1)cccc2,1.9800000000000004
+14315-14-1,Cc1ccc2c(c1)ccs2,1.0250000000000004
+108-38-3,Cc1cccc(c1)C,0.653
+108-44-1,Cc1cccc(c1)N,2.168
+108-39-4,Cc1cccc(c1)O,0.7599999999999998
+99-08-1,Cc1cccc(c1)[N+](=O)[O-],1.04
+90-12-0,Cc1cccc2c1cccc2,2.0010000000000003
+95-47-6,Cc1ccccc1C,0.7909999999999999
+95-48-7,Cc1ccccc1O,0.863
+3056-17-5,CC1=CN(C(=O)NC1=O)C2C=CC(O2)CO,-0.641
+1455-18-1,Cc1csc2c1cccc2,1.7560000000000002
+127-18-4,ClC(=C(Cl)Cl)Cl,1.0019999999999998
+75-35-4,ClC(=C)Cl,0.27999999999999975
+52645-53-1,ClC(=CC1C(C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)Cl,5.067
+3282-30-2,ClC(=O)C(C)(C)C,-0.42399999999999993
+67-72-1,ClC(C(Cl)(Cl)Cl)(Cl)Cl,1.9269999999999996
+76-01-7,ClC(C(Cl)(Cl)Cl)Cl,1.186
+79-34-5,ClC(C(Cl)Cl)Cl,0.45999999999999996
+306-83-2,ClC(C(F)(F)F)Cl,0.9540000000000002
+50-29-3,ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl,5.271000000000001
+56-23-5,ClC(Cl)(Cl)Cl,0.6429999999999998
+67-66-3,ClC(Cl)Cl,0.254
+77-47-4,ClC1=C(Cl)C(C(=C1Cl)Cl)(Cl)Cl,3.7199999999999998
+60-57-1,ClC1=C(Cl)C2(C(C1(Cl)C1C2C2CC1C1C2O1)(Cl)Cl)Cl,3.508
+1031-07-8,ClC1=C(Cl)C2(C(C1(Cl)C1C2COS(=O)(=O)OC1)(Cl)Cl)Cl,2.3
+1024-57-3,ClC1C2OC2C2C1C1(Cl)C(=C(C2(C1(Cl)Cl)Cl)Cl)Cl,3.21
+76-44-8,ClC1C=CC2C1C1(Cl)C(=C(C2(C1(Cl)Cl)Cl)Cl)Cl,3.777
+12789-03-6,ClC1CC2C(C1Cl)C1(C(C2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl,3.623
+79-01-6,ClC=C(Cl)Cl,0.4849999999999998
+156-60-5,ClC=CCl,-0.3580000000000001
+96-18-4,ClCC(CCl)Cl,0.6549999999999998
+630-20-6,ClCC(Cl)(Cl)Cl,0.8420000000000001
+78-87-5,ClCC(Cl)C,0.3389999999999999
+106-89-8,ClCC1CO1,0.5870000000000002
+542-75-6,ClCC=CCl,1.322
+107-06-2,ClCCCl,-0.5099999999999998
+111-91-1,ClCCOCOCCCl,-0.06300000000000017
+16672-87-0,ClCCP(=O)(O)O,0.04400000000000002
+634-66-2,Clc1c(Cl)ccc(c1Cl)Cl,2.5999999999999996
+87-61-6 ,Clc1c(Cl)cccc1Cl,1.75
+87-86-5,Clc1c(O)c(Cl)c(c(c1Cl)Cl)Cl,2.5599999999999996
+18259-05-7,Clc1c(c2ccccc2)c(Cl)c(c(c1Cl)Cl)Cl,4.61
+38380-07-3,Clc1c(ccc(c1Cl)Cl)c1ccc(c(c1Cl)Cl)Cl,5.779999999999999
+1570-65-6,Clc1cc(C)c(c(c1)Cl)O,2.6319999999999997
+634-90-2,Clc1cc(Cl)c(c(c1)Cl)Cl,1.8739999999999997
+88-06-2,Clc1cc(Cl)c(c(c1)Cl)O,1.495
+608-93-5,Clc1cc(Cl)c(c(c1Cl)Cl)Cl,1.6740000000000004
+636-30-6,Clc1cc(Cl)c(cc1N)Cl,1.7610000000000001
+95-95-4,Clc1cc(Cl)c(cc1O)Cl,1.8639999999999999
+35065-27-1,Clc1cc(Cl)c(cc1c1cc(Cl)c(cc1Cl)Cl)Cl,5.4399999999999995
+15862-07-4,Clc1cc(Cl)c(cc1c1ccccc1)Cl,2.6399999999999997
+1836-77-7,Clc1cc(Cl)cc(c1Oc1ccc(cc1)[N+](=O)[O-])Cl,2.878
+618-62-2,Clc1cc(cc(c1)Cl)[N+](=O)[O-],1.4340000000000002
+50594-66-6,Clc1cc(ccc1Oc1ccc(c(c1)C(=O)O)[N+](=O)[O-])C(F)(F)F,1.2569999999999997
+1570-64-5,Clc1ccc(c(c1)C)O,2.691
+95-73-8,Clc1ccc(c(c1)Cl)C,2.42
+112281-77-3,Clc1ccc(c(c1)Cl)C(Cn1cncn1)COC(C(F)F)(F)F,1.713
+120-82-1,Clc1ccc(c(c1)Cl)Cl,1.83
+554-00-7,Clc1ccc(c(c1)Cl)N,2.4299999999999997
+120-83-2,Clc1ccc(c(c1)Cl)O,1.7969999999999997
+611-06-3,Clc1ccc(c(c1)Cl)[N+](=O)[O-],1.6600000000000001
+2437-79-8,Clc1ccc(c(c1)Cl)c1ccc(cc1Cl)Cl,3.989
+95-82-9,Clc1ccc(c(c1)N)Cl,1.742
+3380-34-5,Clc1ccc(c(c1)O)Oc1ccc(cc1Cl)Cl,3.109
+89-59-8,Clc1ccc(c(c1)[N+](=O)[O-])C,1.2679999999999998
+25875-51-8,Clc1ccc(cc1)/C=N/N/C(=N/N=C/c1ccc(cc1)Cl)/N,3.6500000000000004
+106-46-7,Clc1ccc(cc1)Cl,1.138
+1982-47-4,Clc1ccc(cc1)Oc1ccc(cc1)NC(=O)N(C)C,1.992
+116-29-0,Clc1ccc(cc1)S(=O)(=O)c1cc(Cl)c(cc1Cl)Cl,1.7110000000000003
+100-00-5,Clc1ccc(cc1)[N+](=O)[O-],1.3099999999999996
+7012-37-5,Clc1ccc(cc1)c1ccc(cc1Cl)Cl,3.2089999999999996
+2051-62-9,Clc1ccc(cc1)c1ccccc1,2.6260000000000003
+32598-13-3,Clc1ccc(cc1Cl)c1ccc(c(c1)Cl)Cl,5.16
+35693-99-3,Clc1ccc(cc1c1cc(Cl)ccc1Cl)Cl,3.99
+59467-70-8,Clc1ccc2c(c1)C(=NCc1n2c(C)nc1)c1ccccc1F,3.2119999999999997
+91-58-7,Clc1ccc2c(c1)cccc2,2.5
+541-73-1,Clc1cccc(c1)Cl,1.3040000000000003
+121-73-3,Clc1cccc(c1)[N+](=O)[O-],0.8399999999999999
+2051-61-8,Clc1cccc(c1)c1ccccc1,2.641
+90-13-1,Clc1cccc2c1cccc2,2.0090000000000003
+108-90-7,Clc1ccccc1,0.9180000000000001
+95-50-1,Clc1ccccc1Cl,1.787
+58-55-9,CN1C2=C(C(=O)N(C1=O)C)NC=N2,-0.42799999999999994
+59756-60-4,CN1C=C(c2ccccc2)C(=O)C(=C1)c1cccc(c1)C(F)(F)F,1.9000000000000004
+58-08-2,CN1C=NC2=C1C(=O)N(C(=O)N2C)C,0.028000000000000018
+811-97-2,FCC(F)(F)F,-0.9820000000000002
+51-21-8,C1=C(C(=O)NC(=O)N1)F,0.7160000000000002
+85721-33-1,OC(=O)C1=CN(C2CC2)c2cc(N3CCNCC3)c(F)cc2C1=O,0.742
+133855-98-8,Fc1ccc(cc1)C1(Cn2cncn2)OC1c1ccccc1Cl,1.5789999999999997
+61869-08-7,Fc1ccc(cc1)C1CCNCC1COc1ccc2c(c1)OCO2,2.7539999999999996
+106266-06-2,CC1=C(CCN2CCC(CC2)c2noc3cc(F)ccc23)C(=O)N2CCCCC2=N1,1.835
+66230-04-4,N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C(c1ccc(cc1)Cl)C(C)C,5.582000000000001
+91465-08-6,N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)/C=C(/C(F)(F)F)\Cl,5.678000000000001
+66841-25-6,N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C(C(Br)(Br)Br)Br,6.945
+67375-30-8,N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,6.063000000000001
+51481-61-9,N#CN/C(=N\C)/NCCSCc1[nH]cnc1C,-0.467
+115-31-1,N#CSCC(=O)OC1CC2C(C1(C)CC2)(C)C,3.4749999999999996
+6317-18-6,N#CSCSC#N,3.2510000000000003
+68359-37-5,N#CC(c1ccc(c(c1)Oc1ccccc1)F)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,6.132999999999999
+52918-63-5,N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Br)Br,7.047000000000001
+59729-33-8,N#Cc1ccc2c(c1)COC2(CCCN(C)C)c1ccc(cc1)F,1.92
+14080-23-0,N#Cc1ncccn1,0.33999999999999986
+76824-35-6,NC(=Nc1scc(n1)CSCCC(=NS(=O)(=O)N)N)N,-0.07200000000000002
+79-06-1,NC(=O)C=C,-0.351
+127779-20-8,NC(=O)CC(C(=O)NC(C(CN1CC2CCCCC2CC1C(=O)NC(C)(C)C)O)Cc1ccccc1)NC(=O)c1ccc2c(n1)cccc2,1.2699999999999996
+298-46-4,NC(=O)N1c2ccccc2C=Cc2c1cccc2,1.234
+2008-58-4,NC(=O)c1c(Cl)cccc1Cl,-0.6520000000000001
+62-56-6,NC(=S)N,0.8839999999999999
+103-85-5,NC(=S)Nc1ccccc1,0.476
+107-11-9,NCC=C,0.13300000000000006
+107-15-3,NCCN,0.3580000000000001
+54-85-3,NNC(=O)c1ccncc1,0.7749999999999999
+626-43-7,Nc1cc(Cl)cc(c1)Cl,2.16
+634-67-3,Nc1ccc(c(c1Cl)Cl)Cl,2.4299999999999997
+106-47-8,Nc1ccc(cc1)Cl,3.409
+108-45-2,Nc1cccc(c1)N,1.263
+62-53-3,Nc1ccccc1,2.3710000000000004
+7481-89-2,C1CC(OC1CO)N2C=CC(=NC2=O)N,-0.9279999999999999
+396-01-0,Nc1nc(N)c2c(n1)nc(c(n2)c1ccccc1)N,1.404
+75-21-8,O1CC1,-0.6680000000000001
+96-09-3,O1CC1c1ccccc1,1.0179999999999998
+13311-84-7,O=C(C(C)C)Nc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-],2.301
+82657-04-3,O=C(C1C(C1(C)C)C=C(C(F)(F)F)Cl)OCc1cccc(c1C)c1ccccc1,5.112
+35367-38-5,O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1)Cl,4.802
+101-20-2,O=C(Nc1ccc(c(c1)Cl)Cl)Nc1ccc(cc1)Cl,4.478
+143-50-0,O=C1C2(Cl)C3(C4(C1(Cl)C1(C2(C3(Cl)C(C41Cl)(Cl)Cl)Cl)Cl)Cl)Cl,3.394
+935-92-2,O=C1C=C(C)C(=O)C(=C1C)C,2.0010000000000003
+58-27-5,O=C1C=C(C)C(=O)c2c1cccc2,2.545
+98319-26-7,O=C1C=CC2(C(N1)CCC1C2CCC2(C1CCC2C(=O)NC(C)(C)C)C)C,1.2489999999999997
+58-22-0,O=C1CCC2(C(=C1)CCC1C2CCC2(C1CCC2O)C)C,2.17
+503-87-7,O=C1CNC(=S)N1,0.7690000000000001
+67-20-9,O=C1NC(=O)N(C1)/N=C/c1ccc(o1)[N+](=O)[O-],0.508
+120-93-4,O=C1NCCN1,-1.812
+71-63-6,O=C1OCC(=C1)C1CCC2(C1(C)CCC1C2CCC2C1(C)CCC(C2)OC1CC(O)C(C(O1)C)OC1CC(O)C(C(O1)C)OC1CC(O)C(C(O1)C)O)O,0.8839999999999999
+20830-75-5,O=C1OCC(=C1)C1CCC2(C1(C)C(O)CC1C2CCC2C1(C)CCC(C2)OC1CC(O)C(C(O1)C)OC1CC(O)C(C(O1)C)OC1CC(O)C(C(O1)C)O)O,1.5659999999999998
+111-30-8,O=CCCCC=O,0.7879999999999998
+68-12-2,O=CN(C)C,-2.296
+2144-08-3,O=Cc1ccc(c(c1O)O)O,0.669
+100-52-7,O=Cc1ccccc1,0.976
+88-75-5,O=N(=O)c1ccccc1O,1.024
+86-30-6,O=NN(c1ccccc1)c1ccccc1,1.4029999999999996
+115-86-6,O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1,2.5119999999999996
+103577-45-3,O=S(c1nc2c([nH]1)cccc2)Cc1nccc(c1C)OCC(F)(F)F,1.2249999999999996
+825-44-5,O=S1(=O)C=Cc2c1cccc2,1.072
+1016-05-3,O=S1(=O)c2ccccc2c2c1cccc2,1.5700000000000003
+33213-65-9,O=S1OCC2C(CO1)C1(C(C2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl,3.075
+141-90-2,O=C1NC(=S)NC=C1,1.221
+91-64-5,O=C1Oc2ccccc2C=C1,1.032
+51235-04-2,CN1C(=NC(=O)N(C1=O)C2CCCCC2)N(C)C,0.2200000000000002
+1013-23-6,O=S1c2ccccc2-c2ccccc12,1.0010000000000003
+77501-87-2,OC(=O)C(OC(=O)c1cc(ccc1N(=O)=O)Oc1ccc(cc1Cl)C(F)(F)F)C,1.5010000000000003
+22071-15-4,OC(=O)C(c1cccc(c1)C(=O)c1ccccc1)C,0.5990000000000002
+1740-19-8,OC(=O)C1(C)CCCC2(C1CCc1c2ccc(c1)C(C)C)C,1.5599999999999996
+139-13-9,OC(=O)CN(CC(=O)O)CC(=O)O,-0.2639999999999998
+94-74-6,OC(=O)COc1ccc(cc1C)Cl,0.04700000000000018
+94-75-7,OC(=O)COc1ccc(cc1Cl)Cl,0.7829999999999999
+77-06-5,OC(=O)C1C2C3(C4C51CC(=C)C(C5)(O)CC4)C=CC(C2(C)C(=O)O3)O,1.1870000000000003
+69-72-7,OC(=O)c1ccccc1O,0.06800000000000007
+1918-02-1,OC(=O)c1nc(Cl)c(c(c1Cl)N)Cl,0.6440000000000001
+76738-62-0,OC(C(C)(C)C)C(n1ncnc1)Cc1ccc(cc1)Cl,1.0099999999999998
+22664-55-7,OC(COc1cc(C)c(c(c1C)C)OC(=O)C)CNC(C)C,0.9169999999999998
+29122-68-7,OC(COc1ccc(cc1)CC(=O)N)CNC(C)C,0.9020000000000002
+42200-33-9,OC(COc1cccc2c1CC(O)C(C2)O)CNC(C)(C)C,0.27700000000000014
+57775-29-8,OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C,1.3049999999999997
+5251-34-3,OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2C=C(C2=CC(=O)C=CC12C)Cl,0.9609999999999999
+78-83-1,OCC(C)C,-1.18
+115-20-8,OCC(Cl)(Cl)Cl,0.001999999999999795
+111-42-2,OCCNCCO,-0.04300000000000016
+107-21-1,OCCO,-2.878
+110-80-5,OCCOCC,-1.93
+111-90-0,OCCOCCOCC,-1.47
+57-92-1,OCC1OC(OC2C(OC3C(O)C(O)C(C(C3N=C(N)N)O)N=C(N)N)OC(C2(O)C=O)C)C(C(C1O)O)NC,0.07699999999999992
+56-75-7,OCC(C(c1ccc(cc1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl,0.024999999999999942
+7542-37-2,OCC1OC(C(C1OC1OC(CN)C(C(C1N)O)O)O)OC1C(O)C(N)CC(C1OC1OC(CO)C(C(C1N)O)O)N,0.08800000000000009
+138-59-0,OC1CC(=CC(C1O)O)C(=O)O,0.17700000000000002
+5289-74-7,OC1CC2(C)C(CC1O)C(=O)C=C1C2CCC2(C1(O)CCC2C(C(CCC(O)(C)C)O)(O)C)C,2.2910000000000004
+59-50-7,Oc1ccc(c(c1)C)Cl,1.8520000000000003
+106-41-2,Oc1ccc(cc1)Br,1.4640000000000004
+106-48-9,Oc1ccc(cc1)Cl,1.4260000000000002
+100-02-7,Oc1ccc(cc1)[N+](=O)[O-],1.016
+92-69-3,Oc1ccc(cc1)c1ccccc1,1.6680000000000001
+50-28-2,Oc1ccc2c(c1)CCC1C2CCC2(C1CCC2O)C,1.9619999999999997
+135-19-3,Oc1ccc2c(c1)cccc2,1.6100000000000003
+108-95-2,Oc1ccccc1,0.8500000000000001
+95-57-8,Oc1ccccc1Cl,1.2380000000000004
+90-43-7,Oc1ccccc1c1ccccc1,2.38
+96-45-7,S=C1NCCN1,0.589
+532-55-8,S=C=NC(=O)c1ccccc1,1.9320000000000004
+2257-09-2,S=C=NCCc1ccccc1,3.099
+622-78-6,S=C=NCc1ccccc1,3.54
+4044-65-9,S=C=Nc1ccc(cc1)N=C=S,3.399
+103-72-0,S=C=Nc1ccccc1,3.1310000000000002
+75-15-0,S=C=S,1.5599999999999996
+52-24-4,S=P(N1CC1)(N1CC1)N1CC1,-0.45999999999999996
+149-30-4,SC1=Nc2ccccc2S1,1.4939999999999998
+3483-12-3,SCC(C(CS)O)O,0.758
+138261-41-3,[O-][N+](=O)NC1=NCCN1Cc1ccc(nc1)Cl,1.1680000000000001
+55-63-0,[O-][N+](=O)OC(CO[N+](=O)[O-])CO[N+](=O)[O-],0.8500000000000001
+693-21-0,[O-][N+](=O)OCCOCCO[N+](=O)[O-],0.3389999999999999
+602-01-7,[O-][N+](=O)c1c(C)cccc1[N+](=O)[O-],2.441
+148-01-6,[O-][N+](=O)c1cc(C(=O)N)c(c(c1)[N+](=O)[O-])C,0.1379999999999999
+534-52-1,[O-][N+](=O)c1cc(C)c(c(c1)[N+](=O)[O-])O,1.79
+118-96-7,[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C,1.3899999999999997
+88-89-1,[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])O,0.43000000000000016
+99-51-4,[O-][N+](=O)c1ccc(c(c1)C)C,0.9780000000000002
+121-87-9,[O-][N+](=O)c1ccc(c(c1)Cl)N,1.4889999999999999
+121-14-2,[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])C,0.718
+97-00-7,[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])Cl,2.402
+51-28-5,[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])O,1.6059999999999999
+99-65-0,[O-][N+](=O)c1cccc(c1)[N+](=O)[O-],0.5910000000000002
+83-41-0,[O-][N+](=O)c1cccc(c1C)C,1.5579999999999998
+83-42-1,[O-][N+](=O)c1cccc(c1C)Cl,1.6109999999999998
+3209-22-1,[O-][N+](=O)c1cccc(c1Cl)Cl,1.62
+98-95-3,[O-][N+](=O)c1ccccc1,0.6150000000000002
+88-72-2,[O-][N+](=O)c1ccccc1C,1.1399999999999997
+83-32-9,c1cc2cccc3c2c(c1)CC3,0.5750000000000002
+2764-72-9,c1cc[n+]2c(c1)c1cccc[n+]1CC2,2.01
+101-84-8,c1ccc(cc1)Oc1ccccc1,2.433
+92-52-4,c1ccc(cc1)c1ccccc1,1.9089999999999998
+86-74-8,c1ccc2c(c1)[nH]c1c2cccc1,1.7000000000000002
+120-72-9,c1ccc2c(c1)[nH]cc2,2.069
+50-32-8,c1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3,3.0039999999999996
+206-44-0,c1ccc2c(c1)c1cccc3c1c2ccc3,3.2809999999999997
+85-01-8,c1ccc2c(c1)c1ccccc1cc2,2.4059999999999997
+120-12-7,c1ccc2c(c1)cc1c(c2)cccc1,3.7
+205-39-0,c1ccc2c(c1)ccc1c2c2ccccc2o1,1.737
+205-43-6,c1ccc2c(c1)ccc1c2c2ccccc2s1,3.027
+91-20-3,c1ccc2c(c1)cccc2,1.1470000000000002
+119-65-3,c1ccc2c(c1)cncc2,0.7109999999999999
+260-94-6,c1ccc2c(c1)nc1c(c2)cccc1,1.851
+91-22-5,c1ccc2c(c1)nccc2,0.5299999999999998
+120-78-5,c1ccc2c(c1)sc(n2)SSc1nc2c(s1)cccc2,0.6190000000000002
+132-65-0,c1ccc2c(c1)sc1c2cccc1,2.5970000000000004
+95-15-8,c1ccc2c(c1)scc2,0.3570000000000002
+110-86-1,c1cccnc1,-1.185
+110-02-1,c1cccs1,-0.5790000000000002
+525-79-1,c1coc(c1)CNc1ncnc2c1[nH]cn2,2.0540000000000003
+108-85-0,BrC1CCCCC1,0.8900000000000001
+59865-13-3,C/C=C/CC(C(C1C(=O)NC(CC)C(=O)N(C)CC(=O)N(C)C(CC(C)C)C(=O)NC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)O)C,1.779
+79-92-5,C=C1C2CCC(C1(C)C)C2,0.7919999999999998
+107-02-8,C=CC=O,2.9930000000000003
+75-05-8,CC#N,-1.943
+586-62-9,CC(=O)OC(C1CCC(=CC1)C)(C)C,1.8860000000000001
+10161-34-9,CC(=O)OC1CCC2C1(C)C=CC1=C3CCC(=O)C=C3CCC21,2.5410000000000004
+62-55-5,CC(=S)N,0.6379999999999999
+107-41-5,CC(CC(O)(C)C)O,-1.78
+770-35-4,CC(COc1ccccc1)O,-0.3860000000000001
+101-21-3,CC(OC(=O)Nc1cccc(c1)Cl)C,1.7619999999999996
+1445-75-6,CC(OP(=O)(OC(C)C)C)C,-0.17099999999999982
+56-53-1,CC/C(=C(\c1ccc(cc1)O)/CC)/c1ccc(cc1)O,2.37
+108-87-2,CC1CCCCC1,1.819
+66-25-1,CCCCCC=O,1.0389999999999997
+111-65-9,CCCCCCCC,2.4699999999999998
+124-18-5,CCCCCCCCCC,2.2990000000000004
+19295-81-9,CCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC,3.194
+109-46-6,CCCCNC(=S)NCCCC,0.52
+126-73-8,CCCCOP(=O)(OCCCC)OCCCC,1.862
+78-48-8,CCCCSP(=O)(SCCCC)SCCCC,4.676
+67747-09-5,CCCN(C(=O)n1cncc1)CCOc1c(Cl)cc(cc1Cl)Cl,1.9429999999999996
+33820-53-0,CCCN(c1c(cc(cc1[N+](=O)[O-])C(C)C)[N+](=O)[O-])CCC,4.012
+28249-77-6,CCN(C(=O)SCc1ccc(cc1)Cl)CC,2.548
+134-62-3,CCN(C(=O)c1cccc(c1)C)CC,0.07799999999999985
+97-77-8,CCN(C(=S)SSC(=S)N(CC)CC)CC,2.976
+625-53-6,CCNC(=S)N,0.9359999999999999
+109-89-7,CCNCC,0.11799999999999988
+103-69-5,CCNc1ccccc1,2.46
+1912-24-9,CCNc1nc(NC(C)C)nc(n1)Cl,0.601
+1014-70-6,CCNc1nc(NCC)nc(n1)SC,0.6299999999999999
+141-78-6,CCOC(=O)C,-0.9100000000000001
+98886-44-3,CCOP(=O)(N1CCSC1=O)SC(CC)C,2.7619999999999996
+470-90-6,CCOP(=O)(OC(=CCl)c1ccc(cc1Cl)Cl)OCC,3.5599999999999996
+22224-92-6,CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C,5.1129999999999995
+3689-24-5,CCOP(=S)(OP(=S)(OCC)OCC)OCC,6.15
+100-41-4,CCc1ccccc1,1.5019999999999998
+657-24-9,CN(C(=N)N=C(N)N)C,-1.017
+50-48-6,CN(CC/C=C/1\c2ccccc2CCc2c1cccc2)C,2.551
+556-61-6,CN=C=S,2.418
+124-40-3,CNC,-0.041999999999999836
+16752-77-5,CNC(=O)ON=C(SC)C,3.9640000000000004
+114-26-1,CNC(=O)Oc1ccccc1OC(C)C,1.9100000000000001
+534-13-4,CNC(=S)NC,0.8250000000000002
+54910-89-3,CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F,2.7830000000000004
+131860-33-8,CO/C=C(\c1ccccc1Oc1ncnc(c1)Oc1ccccc1C#N)/C(=O)OC,3.3890000000000002
+63675-72-9,COC(=O)C1=C(C)NC(=C(C1c1ccccc1[N+](=O)[O-])C(=O)OCC(C)C)C,1.0709999999999997
+10605-21-7,COC(=O)Nc1nc2c([nH]1)cccc2,3.1189999999999998
+126-07-8,COC1=CC(=O)CC(C21Oc1c(C2=O)c(OC)cc(c1Cl)OC)C,-0.4940000000000002
+62-73-7,COP(=O)(OC=C(Cl)Cl)OC,6.099
+732-11-6,COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC,2.5999999999999996
+83-79-4,COc1cc2c(cc1OC)OCC1C2C(=O)c2c(O1)c1CC(Oc1cc2)C(=C)C,5.0280000000000005
+72-43-5,COc1ccc(cc1)C(C(Cl)(Cl)Cl)c1ccc(cc1)OC,4.087
+22204-53-1,COc1ccc2c(c1)ccc(c2)C(C(=O)O)C,0.794
+67-68-5,CS(=O)C,-2.505
+4685-14-7,C[n+]1ccc(cc1)c1cc[n+](cc1)C,1.8230000000000004
+779-02-2,Cc1c2ccccc2cc2c1cccc2,3.1900000000000004
+108-67-8,Cc1cc(C)cc(c1)C,1.2999999999999998
+99-99-0,Cc1ccc(cc1)[N+](=O)[O-],1.0099999999999998
+576-26-1,Cc1cccc(c1O)C,1.0380000000000003
+108-88-3,Cc1ccccc1,0.001999999999999795
+95-53-4,Cc1ccccc1N,2.3120000000000003
+27304-13-8,ClC1C2C(C3C1(Cl)O3)C1(C(C2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl,2.513
+79-00-5,ClCC(Cl)Cl,0.492
+142-28-9,ClCCCCl,-0.3919999999999999
+111-44-4,ClCCOCCCl,-0.22199999999999998
+75-09-2,ClCCl,-0.34100000000000014
+58-89-9,ClC1C(Cl)C(Cl)C(C(C1Cl)Cl)Cl,2.3890000000000002
+634-83-3,Clc1c(N)cc(c(c1Cl)Cl)Cl,2.559
+4901-51-3,Clc1c(O)cc(c(c1Cl)Cl)Cl,2.76
+935-95-5,Clc1cc(Cl)c(c(c1Cl)O)Cl,2.6100000000000003
+6639-30-1,Clc1cc(Cl)c(cc1C)Cl,2.55
+89-61-2,Clc1ccc(c(c1)[N+](=O)[O-])Cl,1.2510000000000003
+37680-73-2,Clc1ccc(c(c1)c1cc(Cl)c(cc1Cl)Cl)Cl,4.509
+37680-65-2,Clc1ccc(c(c1)c1ccccc1Cl)Cl,3.67
+107534-96-3,Clc1ccc(cc1)CCC(C(C)(C)C)(Cn1cncn1)O,2.0199999999999996
+439-14-5,Clc1ccc2c(c1)C(=NCC(=O)N2C)c1ccccc1,1.8209999999999997
+2051-60-7,Clc1ccccc1c1ccccc1,2.4219999999999997
+1897-45-6,N#Cc1c(Cl)c(C#N)c(c(c1Cl)Cl)Cl,3.21
+59-87-0,NC(=O)N/N=C/c1ccc(o1)[N+](=O)[O-],0.839
+95-76-1,Nc1ccc(c(c1)Cl)Cl,2.4370000000000003
+91-94-1,Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N,2.3810000000000002
+108-42-9,Nc1cccc(c1)Cl,3.1079999999999997
+95-51-2,Nc1ccccc1Cl,2.1900000000000004
+154-42-7,NC1=NC(=S)c2nc[nH]c2N1,1.0060000000000002
+434-07-1,O/C=C\1/CC2(C)C(CC1=O)CCC1C2CCC2(C1CCC2(C)O)C,1.5350000000000001
+22431-62-5,O=C(C1C(C1(C)C)C=C1CCCC1)OCc1coc(c1)Cc1ccccc1,5.164
+872-50-4,O=C1CCCN1C,1.9059999999999997
+1622-61-3,O=C1CN=C(c2c(N1)ccc(c2)[N+](=O)[O-])c1ccccc1Cl,1.0220000000000002
+1665-48-1,O=C1NCC(O1)COc1cc(C)cc(c1)C,0.47000000000000014
+90-02-8,O=Cc1ccccc1O,1.4619999999999997
+110-16-7,OC(=O)/C=C\C(=O)O,-0.23600000000000018
+882-09-7,OC(=O)C(Oc1ccc(cc1)Cl)(C)C,0.4740000000000002
+60-00-4,OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O,0.1030000000000002
+1071-83-6,OC(=O)CNCP(=O)(O)O,0.9079999999999998
+15307-86-5,OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl,1.1210000000000004
+107-07-3,OCCCl,-0.42099999999999976
+108-01-0,OCCN(C)C,-0.04099999999999992
+112-27-6,OCCOCCOCCO,-2.54
+58-90-2,Oc1c(Cl)cc(c(c1Cl)Cl)Cl,3.1100000000000003
+609-19-8,Oc1cc(Cl)c(c(c1)Cl)Cl,2.4610000000000003
+102-08-9,S=C(Nc1ccccc1)Nc1ccccc1,0.5310000000000001
+33813-20-6,S=C1SSC2=NCCN12,2.9219999999999997
+88-73-3,[O-][N+](=O)c1ccccc1Cl,0.6400000000000001
+129-00-0,c1cc2ccc3c4c2c(c1)ccc4ccc3,3.173
+122-66-7,c1ccc(cc1)NNc1ccccc1,1.6509999999999998
+92-83-1,c1ccc2c(c1)Oc1c(C2)cccc1,0.9529999999999998
+56-55-3,c1ccc2c(c1)cc1c(c2)ccc2c1cccc2,3.2190000000000003
+132-64-9,c1ccc2c(c1)oc1c2cccc1,1.995
+71-43-2,c1ccccc1,-0.52
diff --git a/data/Carcinogenicity-Mouse.csv b/data/Carcinogenicity-Mouse.csv
index c297f54..197fb77 100644
--- a/data/Carcinogenicity-Mouse.csv
+++ b/data/Carcinogenicity-Mouse.csv
@@ -1,979 +1,979 @@
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
+48413127,C1=CC=C2C(=C1)C3=C(N2)N=C(C=C3)N,carcinogenic
+48413128,CC1=CC(=O)[N-]S(=O)(=O)O1.[K+],non-carcinogenic
+48413130,CC=NN(C)C=O,carcinogenic
+48413132,CC(=O)N,carcinogenic
+48413133,CC(=O)NC1=CC=C(C=C1)O,carcinogenic
+48413134,CC(=O)C1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2CCCCC2,non-carcinogenic
+48413136,CC#N,non-carcinogenic
+48413138,CC(=O)OC(C=C)C1=CC2=C(C=C1)OCO2,non-carcinogenic
+48413139,CC(=O)NNC1=CC=C(C=C1)CO,carcinogenic
+48413140,CC(=O)NNC(=O)C1=CC=NC=C1,carcinogenic
+48413141,CC1=CC(=O)C(C(=O)O1)C(=O)C,non-carcinogenic
+48413142,CC(=O)NNC1=CC=CC=C1,carcinogenic
+48413145,CC(=O)NC1=CC2=C(C=C1)C3=CC=CC=C3C2,carcinogenic
+48413147,CC(=O)NC1=CC=C(C=C1)CC(=O)O,non-carcinogenic
+48413149,C1=CC(=C(C=C1C(F)(F)F)Cl)OC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O,carcinogenic
+48413150,C=CC=O,non-carcinogenic
+48413156,C=CC#N,carcinogenic
+48413159,C(CCC(=O)N)CC(=O)N,non-carcinogenic
+48413160,C1=COC(=C1)C(=CC2=CC=C(O2)[N+](=O)[O-])C(=O)N,carcinogenic
+48413162,COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4C5C=COC5OC4=C1,non-carcinogenic
+48413163,COC1=C2C3=C(C(=O)OCC3)C(=O)OC2=C4C5C=COC5OC4=C1,carcinogenic
+48413166,CC(C)(C=NOC(=O)NC)SC,non-carcinogenic
+48413167,C1C2C=CC1C3C2C4(C(=C(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl,carcinogenic
+48413172,C=CCCl,non-carcinogenic
+48413173,C=CCOCC1CO1,carcinogenic
+48413174,C=CCN=C=S,non-carcinogenic
+48413175,CC(C)CC(=O)OCC=C,carcinogenic
+48413177,C=CCNN.Cl,carcinogenic
+48413178,[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3].[K+],non-carcinogenic
+48413179,C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3Br)Br)N,carcinogenic
+48413180,CCOC1=C(C=C(C=C1)NC(=O)C)N,carcinogenic
+48413181,CCN1C2=C(C=C(C=C2)N)C3=CC=CC=C31.Cl,carcinogenic
+48413182,CCN1C2=C(C=C(C=C2)N)C3=CC=CC=C31,carcinogenic
+48413184,CC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)N,carcinogenic
+48413187,C1=C(OC(=C1)[N+](=O)[O-])C2=CSC(=N2)N,carcinogenic
+48413188,C1=C(OC(=C1)[N+](=O)[O-])C=CC2=NOC(=N2)N,carcinogenic
+48413189,C1=CC(=C(C=C1[N+](=O)[O-])N)O,non-carcinogenic
+48413190,C1=CC(=C(C=C1[N+](=O)[O-])O)N,non-carcinogenic
+48413191,C1=CC(=C(C=C1N)[N+](=O)[O-])O,non-carcinogenic
+48413192,C1=CC(=CC=C1C2=CSC(=N2)N)[N+](=O)[O-],carcinogenic
+48413193,C1=C(SC(=N1)N)[N+](=O)[O-],non-carcinogenic
+48413195,C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)N,carcinogenic
+48413196,CC1=CC=CC=C1N=NC2=CC(=C(C=C2)N)C,non-carcinogenic
+48413198,C1=CC=C(C=C1)C2=CC=C(C=C2)N,carcinogenic
+48413200,C1=CC=C2C(=C1)C3=C(O2)C=CC(=C3)N,carcinogenic
+48413203,C1=NNC(=N1)N,carcinogenic
+48413204,C(CCCCCN)CCCCC(=O)O,non-carcinogenic
+48413205,[NH4+].[Cl-],non-carcinogenic
+48413207,[NH4+].[OH-],non-carcinogenic
+48413209,CC(CC1=CC=CC=C1)N.CC(CC1=CC=CC=C1)N.OS(=O)(=O)O,non-carcinogenic
+48413210,CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)C.O.O.O,non-carcinogenic
+48413213,CC=CC1=CC=C(C=C1)OC,non-carcinogenic
+48413215,C(C(C1C(C2C(O1)OC(O2)C(Cl)(Cl)Cl)O)O)O,non-carcinogenic
+48413216,C1=CC=C(C(=C1)NC2=NC(=NC(=N2)Cl)Cl)Cl,non-carcinogenic
+48413218,C1=CC=C(C=C1)N.Cl,non-carcinogenic
+48413219,COC1=CC=CC=C1N.Cl,carcinogenic
+48413220,COC1=CC=C(C=C1)N.Cl,non-carcinogenic
+48413221,C1=CC=C(C(=C1)C(=O)O)N,non-carcinogenic
+48413222,C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3C2=O,non-carcinogenic
+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-carcinogenic
+48413224,CC(COC1=CC=C(C=C1)C(C)(C)C)OS(=O)OCCCl,carcinogenic
+48413225,CN1CCC=C(C1)C(=O)OC.Cl,carcinogenic
+48413229,C1=CC(=C(C(=C1)Cl)Cl)C2=C(C(=C(C=C2)Cl)Cl)Cl,carcinogenic
+48413232,O1[As]2O[As]3O[As]1O[As](O2)O3,non-carcinogenic
+48413233,[O-][As]=O.[Na+],non-carcinogenic
+48413235,C(C(C1C(=C(C(=O)O1)O)O)O)O,non-carcinogenic
+48413237,CC(=O)OC1=CC=CC=C1C(=O)O,non-carcinogenic
+48413239,COC1=CC=C(C=C1)CCN2CCC(CC2)NC3=NC4=CC=CC=C4N3CC5=CC=C(C=C5)F,non-carcinogenic
+48413241,CCNC1=NC(=NC(=N1)Cl)NC(C)C,non-carcinogenic
+48413243,CN(C)C1=CC=C(C=C1)C(=N)C2=CC=C(C=C2)N(C)C.Cl,carcinogenic
+48413245,C1=NC(=NC(=O)N1C2C(C(C(O2)CO)O)O)N,carcinogenic
+48413248,CN1C=NC(=C1SC2=NC=NC3=C2NC=N3)[N+](=O)[O-],carcinogenic
+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-carcinogenic
+48413251,COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2N=N1,non-carcinogenic
+48413252,C1=CC=C(C=C1)N=NC2=CC=CC=C2,non-carcinogenic
+48413256,CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)N=[N+]=[N-],carcinogenic
+48413259,CC(=O)[O-].CC(=O)[O-].[Ba+2],non-carcinogenic
+48413260,O.O.[Cl-].[Cl-].[Ba+2],non-carcinogenic
+48413262,C1=CC(=CC=C1C(=O)O)NN=C2C=CC(=O)C(=C2)C(=O)O,non-carcinogenic
+48413263,C1=CC=C(C=C1)C=O,carcinogenic
+48413264,C1=CC=CC=C1,carcinogenic
+48413265,C1=CC=C(C=C1)[N+]#N.OS(=O)(=O)[O-],carcinogenic
+48413266,C1=CC=C(C=C1)S(=O)(=O)NNC(=S)N,non-carcinogenic
+48413267,C1=CC(=CC=C1C2=CC=C(C=C2)N)N,carcinogenic
+48413268,C1=CC(=CC=C1C2=CC=C(C=C2)N)N.Cl.Cl,carcinogenic
+48413269,C1=CC=C2C3=C4C(=CC2=C1)C=CC5=C4C(=CC=C5)C=C3,carcinogenic
+48413270,C1=CC=C(C=C1)C(=O)[O-].[Na+],non-carcinogenic
+48413271,C1=CC=C2C(=C1)C=CO2,carcinogenic
+48413272,C1=CC=C(C=C1)C2=NC(=NC(=N2)N)N,non-carcinogenic
+48413274,C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)O,non-carcinogenic
+48413275,C1=CC(=O)C=CC1=O,carcinogenic
+48413276,C1=CC=C2C(=C1)N=C(S2)SSC3=NC4=CC=CC=C4S3,non-carcinogenic
+48413277,C1=CC2=NNN=C2C=C1,non-carcinogenic
+48413278,C1=CC=C(C=C1)C(Cl)(Cl)Cl,carcinogenic
+48413279,C1=CC=C(C=C1)C(=O)NN,carcinogenic
+48413280,CC(=O)OCC1=CC=CC=C1,carcinogenic
+48413281,C1=CC=C(C=C1)CO,non-carcinogenic
+48413282,C1=CC=C(C=C1)CCl,carcinogenic
+48413283,C1=CC=C(C=C1)CC2=C(C=CC(=C2)Cl)O,carcinogenic
+48413286,C1=CC=C(C=C1)CNN.Cl.Cl,carcinogenic
+48413287,C1=CC=C(C=C1)C[N+]2=NOC(=C2CC(=O)N)[O-],carcinogenic
+48413288,[Be+2].[O-]S(=O)(=O)[O-],non-carcinogenic
+48413289,CC1=C(C=CC=C1COC(=O)C2C(C2(C)C)C=C(C(F)(F)F)Cl)C3=CC=CC=C3,non-carcinogenic
+48413290,C1=CC=C(C=C1)C2=CC=CC=C2,non-carcinogenic
+48413291,CC(C)(CCCOC1=CC(=C(C=C1)OCCCC(C)(C)C(=O)O)C2=CC=CC=C2)C(=O)O,carcinogenic
+48413292,C1=CC=C(C=C1)C2=CC=CC=C2N.Cl,carcinogenic
+48413293,C(C(CO)(CBr)CBr)O,carcinogenic
+48413294,CC1CC(CC(C1)(OOC(C)(C)C)OOC(C)(C)C)(C)C,non-carcinogenic
+48413296,CC(CCl)OC(C)CCl,carcinogenic
+48413297,C(CCl)OCCCl,carcinogenic
+48413298,C(CCOCCl)COCCl,non-carcinogenic
+48413299,C(COCCl)OCCl,carcinogenic
+48413300,C(CCCOCCl)CCOCCl,non-carcinogenic
+48413301,C1=CC(=CC=C1COCCl)COCCl,carcinogenic
+48413302,C(OCCl)Cl,carcinogenic
+48413307,C(CO)N(CCO)C(=S)[S-].[K+],carcinogenic
+48413309,CN(C)C(=S)S[Bi](SC(=S)N(C)C)SC(=S)N(C)C,non-carcinogenic
+48413311,CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O,non-carcinogenic
+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-carcinogenic
+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+],carcinogenic
+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],carcinogenic
+48413317,C1=CC(=C2C(=C1N)C(=O)C3=C(C=CC(=C3C2=O)N)N)N,non-carcinogenic
+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-carcinogenic
+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-carcinogenic
+48413320,CNC1=C(C=C(C=C1)N(CCO)CCO)[N+](=O)[O-],carcinogenic
+48413320,CNC1=C(C=C(C=C1)N(CCO)CCO)[N+](=O)[O-],carcinogenic
+48413322,C1=CC(=C(C=C1N(CCO)CCO)[N+](=O)[O-])NCCO,non-carcinogenic
+48413324,B(O)(O)O,non-carcinogenic
+48413325,[O-]Br(=O)=O.[K+],carcinogenic
+48413326,C(C=O)Br,non-carcinogenic
+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-carcinogenic
+48413328,C(Cl)(Cl)Br,carcinogenic
+48413329,CCBr,carcinogenic
+48413330,C(CBr)O,carcinogenic
+48413333,C=CC=C,carcinogenic
+48413334,CCCCOCCO,carcinogenic
+48413335,CC(C)(C)O,carcinogenic
+48413336,CCCCOC(=O)C1=CC=CC=C1C(=O)OCC2=CC=CC=C2,non-carcinogenic
+48413337,CCCCCl,non-carcinogenic
+48413338,CCC(C)C1=CC(=CC(=C1O)[N+](=O)[O-])[N+](=O)[O-],non-carcinogenic
+48413339,CCCCN(C=O)N,carcinogenic
+48413340,CCCCOC(=O)C1=CC=C(C=C1)O,non-carcinogenic
+48413346,CC(C)(C)C1=C(C=CC(=C1)OC)O,carcinogenic
+48413347,CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C,carcinogenic
+48413348,CCCCN(CCCC)N,carcinogenic
+48413349,CCCCNN.Cl,carcinogenic
+48413350,CCCCNNCCCC.Cl.Cl,carcinogenic
+48413351,CC(C)(C)C1=C(C=CC(=C1)O)O,non-carcinogenic
+48413354,CCCCNC(=O)N,non-carcinogenic
+48413356,C1CC(=O)OC1,non-carcinogenic
+48413357,CC(=O)[O-].CC(=O)[O-].[Cd+2],non-carcinogenic
+48413358,[Cl-].[Cl-].[Cd+2],non-carcinogenic
+48413360,CCN(CC)C(=S)[S-].CCN(CC)C(=S)[S-].[Cd+2],non-carcinogenic
+48413361,[O-]S(=O)(=O)[O-].[Cd+2],non-carcinogenic
+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-carcinogenic
+48413363,C1=CC(=C(C=C1C=CC(=O)O)O)O,carcinogenic
+48413364,CN1C=NC2=C1C(=O)N(C(=O)N2C)C,non-carcinogenic
+48413365,CC(C)C(C)C=CC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C,non-carcinogenic
+48413372,C1CCC(=O)NCC1,non-carcinogenic
+48413373,CC(C)C=CCCCCC(=O)NCC1=CC(=C(C=C1)O)OC,carcinogenic
+48413374,C1C=CCC2C1C(=O)N(C2=O)SC(C(Cl)Cl)(Cl)Cl,carcinogenic
+48413375,C1C=CCC2C1C(=O)N(C2=O)SC(Cl)(Cl)Cl,carcinogenic
+48413376,C(=O)(N)NN.Cl,carcinogenic
+48413377,C1=CC=C(C=C1)NNC(=O)N,carcinogenic
+48413379,CNC(=O)OC1=CC=CC2=CC=CC=C21,non-carcinogenic
+48413380,C1=CC=C2C(=C1)C3=CC=CC=C3N2,carcinogenic
+48413381,CC1(CC2=C(O1)C(=CC=C2)OC(=O)NC)C,non-carcinogenic
+48413382,C(Cl)(Cl)(Cl)Cl,carcinogenic
+48413384,CCC(CC)(C(=O)NC(=O)N)Br,non-carcinogenic
+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-carcinogenic
+48413388,CC1=CCC(CC1=O)C(=C)C,non-carcinogenic
+48413390,C1=CC=C(C(=C1)O)O,carcinogenic
+48413392,CCN(CC)C(=O)NC1=CC(=C(C=C1)OCC(CNC(C)(C)C)O)C(=O)C,non-carcinogenic
+48413394,CC(CCC(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C,non-carcinogenic
+48413395,C(C(Cl)(Cl)Cl)(O)O,carcinogenic
+48413396,C1=C(C=C(C(=C1N)Cl)C(=O)O)Cl,carcinogenic
+48413397,C1=CC(=CC=C1CCCC(=O)O)N(CCCl)CCCl,carcinogenic
+48413400,C1(=C(C(=O)C(=C(C1=O)Cl)Cl)Cl)Cl,non-carcinogenic
+48413401,C1C2C(C(C1Cl)Cl)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl,carcinogenic
+48413402,C1(C(C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)C(=O)O)C(=O)O,carcinogenic
+48413403,CCC(CCC(C(CC(C(C(CCl)Cl)Cl)Cl)Cl)Cl)Cl,carcinogenic
+48413404,CCCC(CCC(CCC(CCC(CCC(CCC(CCC(C)Cl)Cl)Cl)Cl)Cl)Cl)Cl,carcinogenic
+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-carcinogenic
+48413407,ClCl,non-carcinogenic
+48413408,CC(=O)C1(CCC2C1(CCC3C2C=C(C4=CC(=O)CCC34C)Cl)C)OC(=O)C,non-carcinogenic
+48413409,C1=CC(=CC=C1N)OC2=CC=C(C=C2)Cl,carcinogenic
+48413412,C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])Cl,non-carcinogenic
+48413413,CC(=C)CCl,carcinogenic
+48413413,CC(=C)CCl,carcinogenic
+48413415,C1=CC=C(C(=C1)[N+](=O)[O-])Cl,carcinogenic
+48413416,C1=CC(=CC=C1[N+](=O)[O-])Cl,carcinogenic
+48413417,C1=CC(=C(C=C1N)N)Cl,carcinogenic
+48413418,C1=CC(=C(C=C1Cl)N)N,carcinogenic
+48413419,C1=CC(=C(C=C1N)Cl)N.OS(=O)(=O)O,non-carcinogenic
+48413420,CC(CCl)O,non-carcinogenic
+48413421,CC1=C(C=C(C=C1)N)Cl,non-carcinogenic
+48413422,CC1=C(C=C(C=C1)Cl)N,carcinogenic
+48413423,CC1=C(C=CC(=C1)Cl)N.Cl,carcinogenic
+48413425,CC1=C(C(=CC=C1)NC2=CC(=NC(=N2)SCC(=O)O)Cl)C,carcinogenic
+48413426,CC1=C(C(=CC=C1)NC2=CC(=NC(=N2)SCC(=O)NCCO)Cl)C,carcinogenic
+48413427,C(C=O)Cl,carcinogenic
+48413428,C1=CC=C(C=C1)C(=O)CCl,non-carcinogenic
+48413429,CC(=O)NC1=CC=C(C=C1)C(=O)CCl,non-carcinogenic
+48413430,C1=CC(=CC=C1N)Cl,non-carcinogenic
+48413431,C1=CC(=CC=C1N)Cl.Cl,carcinogenic
+48413432,C1=CC=C(C(=C1)C=C(C#N)C#N)Cl,non-carcinogenic
+48413433,C1=CC=C(C=C1)Cl,non-carcinogenic
+48413434,CCOC(=O)C(C1=CC=C(C=C1)Cl)(C2=CC=C(C=C2)Cl)O,carcinogenic
+48413435,C(Cl)(Br)Br,carcinogenic
+48413436,C(F)(F)Cl,non-carcinogenic
+48413437,CCCl,carcinogenic
+48413438,C[N+](C)(C)CCCl.[Cl-],non-carcinogenic
+48413441,C(Cl)(Cl)Cl,carcinogenic
+48413443,C1=CC=NC(=C1)CCl.Cl,non-carcinogenic
+48413444,C1=CC(=CN=C1)CCl.Cl,carcinogenic
+48413445,C1=CC(=CC=C1OS(=O)(=O)C2=CC=C(C=C2)Cl)Cl,non-carcinogenic
+48413446,CN(C)C(=O)NC1=CC=C(C=C1)Cl,non-carcinogenic
+48413450,C([N+](=O)[O-])(Cl)(Cl)Cl,non-carcinogenic
+48413451,C=CC(=C)Cl,carcinogenic
+48413453,CC(C=O)Cl,carcinogenic
+48413454,CC=CCl,carcinogenic
+48413456,C(#N)C1=C(C(=C(C(=C1Cl)Cl)Cl)C#N)Cl,non-carcinogenic
+48413458,C[NH+](C)CCC(C1=CC=C(C=C1)Cl)C2=CC=CC=N2.C(=CC(=O)[O-])C(=O)O,non-carcinogenic
+48413459,CCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)Cl,non-carcinogenic
+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-carcinogenic
+48413462,C[N+](C)(C)CCO.[Cl-],non-carcinogenic
+48413464,CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Cr+3],non-carcinogenic
+48413465,C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC=C3O,carcinogenic
+48413466,CC1=C(N=CN1)CSCCNC(=NC)NC#N,non-carcinogenic
+48413467,C1=CC=C(C=C1)C=CC=O,non-carcinogenic
+48413468,C1=CC=C(C=C1)C=CCOC(=O)C2=CC=CC=C2N,carcinogenic
+48413469,CC(C)(C(=O)O)OC1=CC=C(C=C1)C2CC2(Cl)Cl,carcinogenic
+48413470,CC(=CCCC(=CC=O)C)C,non-carcinogenic
+48413474,CC(C)(C(=O)O)OCC1=CC=C(C=C1)C2=CC=C(C=C2)Cl,carcinogenic
+48413475,CCOC(=O)C(C)(C)OC1=CC=C(C=C1)Cl,non-carcinogenic
+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-carcinogenic
+48413477,C1=CC(=C(C=C1[N+](=O)[O-])Cl)NC(=O)C2=C(C=CC(=C2)Cl)O.C(CO)N,non-carcinogenic
+48413479,O.O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[Co+2],carcinogenic
+48413480,CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O,non-carcinogenic
+48413482,CC1=CC2=C(C=C1)C(=NC(=O)N2C(C)C)C3=CC(=CC=C3)O,non-carcinogenic
+48413483,CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCC2=NNN=N2,carcinogenic
+48413484,CN(C)C(=S)[S-].CN(C)C(=S)[S-].[Cu+2],non-carcinogenic
+48413485,C1=CC2=C(C(=C1)O)N=CC=C2.C1=CC2=C(C(=C1)O)N=CC=C2.[Cu],non-carcinogenic
+48413486,CCOP(=S)(OCC)OC1=CC2=C(C=C1)C(=C(C(=O)O2)Cl)C,non-carcinogenic
+48413487,C1=CC=C2C(=C1)C=CC(=O)O2,carcinogenic
+48413488,CC1=C(C=CC(=C1)OC)N,non-carcinogenic
+48413489,CC1=CC(=C(C=C1)OC)N,carcinogenic
+48413491,C1=CC=C(C=C1)N(N=O)[O-].[NH4+],carcinogenic
+48413495,C1CCC(CC1)NS(=O)(=O)[O-].[Na+],carcinogenic
+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,carcinogenic
+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-carcinogenic
+48413499,C1CCC(=O)CC1,non-carcinogenic
+48413500,C1CCC(CC1)NSC2=NC3=CC=CC=C3S2,non-carcinogenic
+48413501,C1CCC(CC1)N.Cl,non-carcinogenic
+48413502,C1CCC(CC1)N.OS(=O)(=O)O,non-carcinogenic
+48413505,C1CNP(=O)(OC1)N(CCCl)CCCl,carcinogenic
+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-carcinogenic
+48413507,CC(=O)C1(CCC2C1(CCC3C2C=C(C4=CC(=O)C5CC5C34C)Cl)C)OC(=O)C,carcinogenic
+48413509,COC1=CC=C(C=C1)C(=O)C(=CC(=O)[O-])Br.[Na+],non-carcinogenic
+48413510,CN(C)NN=C1C(=NC=N1)C(=O)N,carcinogenic
+48413511,CN(C)NC(=O)CCC(=O)O,carcinogenic
+48413512,C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)N,non-carcinogenic
+48413513,C1=CC=C(C(=C1)C(C2=CC=C(C=C2)Cl)C(Cl)Cl)Cl,non-carcinogenic
+48413514,C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)C(Cl)Cl)Cl,carcinogenic
+48413515,C1=CC(=CC=C1C(=C(Cl)Cl)C2=CC=C(C=C2)Cl)Cl,carcinogenic
+48413516,C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)C(Cl)(Cl)Cl)Cl,carcinogenic
+48413517,C1(=C(C(=C(C(=C1Br)Br)Br)Br)Br)OC2=C(C(=C(C(=C2Br)Br)Br)Br)Br,non-carcinogenic
+48413522,CC12CCC3C(C1CCC2=O)CC=C4C3(CCC(C4)OS(=O)(=O)O)C,non-carcinogenic
+48413523,CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Br)Br)C,non-carcinogenic
+48413524,CC1=CC2C(C(C1=O)O)(C3(CC(C(C34CO4)O2)O)C)CO,non-carcinogenic
+48413532,CC(=O)NNC(=O)C,non-carcinogenic
+48413533,CC(C)N(C(C)C)C(=O)SCC(=CCl)Cl,carcinogenic
+48413534,C=CCOC(=O)C1=CC=CC=C1C(=O)OCC=C,non-carcinogenic
+48413535,C=CCN(CC=C)N,carcinogenic
+48413536,C=CCNNCC=C.Cl.Cl,carcinogenic
+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-carcinogenic
+48413540,COC1=C(C=C(C=C1)N)N.OS(=O)(=O)O,carcinogenic
+48413541,C1=CC(=CC=C1N)N=NC2=CC=C(C=C2)N,non-carcinogenic
+48413542,C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)N)N,non-carcinogenic
+48413543,C1=CC(=C(C=C1N)N)O.Cl.Cl,carcinogenic
+48413544,CC1=C(C=C(C=C1)N)N,carcinogenic
+48413545,CC1=C(C=C(C=C1)N)N.Cl.Cl,carcinogenic
+48413546,CC1=C(C=CC=C1N)N.Cl.Cl,non-carcinogenic
+48413547,CC1=C(C=CC(=C1)N)N.OS(=O)(=O)O,non-carcinogenic
+48413548,CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3,non-carcinogenic
+48413549,CCOP(=S)(OCC)OC1=NC(=NC(=C1)C)C(C)C,non-carcinogenic
+48413551,C1=CC=C2C(=C1)C=CC3=CC4=C(C=CC5=CC=CC=C54)C=C32,carcinogenic
+48413552,C1=CC=C2C(=C1)OC3=CC=CC=C3O2,non-carcinogenic
+48413555,C(C(CBr)Br)Cl,carcinogenic
+48413556,C(C(C(C(C(CBr)O)O)O)O)Br,carcinogenic
+48413557,C(CBr)Br,carcinogenic
+48413558,C(C(C(C(C(CBr)O)O)O)O)Br,carcinogenic
+48413561,CCCC[Sn](CCCC)(OC(=O)C)OC(=O)C,non-carcinogenic
+48413562,CC(C)(C#C)NC(=O)C1=CC(=CC(=C1)Cl)Cl,carcinogenic
+48413563,C1COC(C(O1)Cl)Cl,non-carcinogenic
+48413565,C(=O)C(=C(C(=O)O)Cl)Cl,non-carcinogenic
+48413566,CC(=C)C(=O)NC1=CC(=C(C=C1)Cl)Cl,non-carcinogenic
+48413567,C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)Cl,non-carcinogenic
+48413568,C1=C(C=C(C(=C1Cl)N)Cl)[N+](=O)[O-],non-carcinogenic
+48413569,C1=C(C=C(C(=C1Cl)N)Cl)N,carcinogenic
+48413570,C(C(=O)O)(Cl)Cl,carcinogenic
+48413571,C(#CCl)Cl,carcinogenic
+48413572,C1=CC=C(C(=C1)Cl)Cl,non-carcinogenic
+48413573,C1=CC(=CC=C1Cl)Cl,carcinogenic
+48413575,C1=CC(=C(C=C1C2=CC(=C(C=C2)N)Cl)Cl)N.Cl.Cl,carcinogenic
+48413577,C(C=CCCl)Cl,carcinogenic
+48413578,C1=CC2=C(C=C1Cl)OC3=C(O2)C=C(C=C3)Cl,non-carcinogenic
+48413579,C(F)(F)(Cl)Cl,non-carcinogenic
+48413580,C1=CC(=CC=C1S(=O)(=O)C2=CC=C(C=C2)Cl)Cl,non-carcinogenic
+48413581,CC(Cl)Cl,non-carcinogenic
+48413582,C(CCl)Cl,carcinogenic
+48413583,C1=CC(=C(C=C1Cl)Cl)O,non-carcinogenic
+48413584,CC(C(=O)O)OC1=C(C=C(C=C1)Cl)Cl,non-carcinogenic
+48413585,CC(C(=O)O)OC1=C(C=CC(=C1)Cl)Cl,non-carcinogenic
+48413586,C1=CC(=C(C=C1Cl)Cl)OCC(=O)O,non-carcinogenic
+48413587,CCCCOC(=O)COC1=C(C=C(C=C1)Cl)Cl,non-carcinogenic
+48413588,CCCCC(CC)COC(=O)COC1=C(C=C(C=C1)Cl)Cl,non-carcinogenic
+48413589,CC(C)OC(=O)COC1=C(C=C(C=C1)Cl)Cl,non-carcinogenic
+48413590,CN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl,non-carcinogenic
+48413591,C1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)Cl)Cl,non-carcinogenic
+48413592,CC(CCl)Cl,carcinogenic
+48413593,COP(=O)(OC)OC=C(Cl)Cl,carcinogenic
+48413595,C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)(C(Cl)(Cl)Cl)O)Cl,carcinogenic
+48413596,C1CCC(CC1)NC(=S)NC2CCCCC2,non-carcinogenic
+48413597,C1C2C3CC4C(C3C1C5C2O5)O4,non-carcinogenic
+48413598,C1C2C3C(C1C4C2O4)C5(C(=C(C3(C5(Cl)Cl)Cl)Cl)Cl)Cl,carcinogenic
+48413599,C12C3C(C4C1C5(C(C3(C4(C5(Cl)Cl)Cl)Cl)Cl)Cl)C6C2O6,non-carcinogenic
+48413601,CCOP(=O)(CC1CO1)OCC,non-carcinogenic
+48413603,CCN(CC)C(=O)C1=CC(=CC=C1)C,non-carcinogenic
+48413607,CCN(CC)CC#CC(C)(C)OC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O.O.Cl,non-carcinogenic
+48413611,CCC(=C(CC)C1=CC=C(C=C1)O)C2=CC=C(C=C2)O,carcinogenic
+48413612,CCNC(=S)NCC,non-carcinogenic
+48413614,C(=O)NNC=O,carcinogenic
+48413615,C1C2=CC=CC=C2C(=O)N3N1C(=O)C4=CC=CC=C4C3,carcinogenic
+48413616,C1C(O1)COC2=CC(=CC=C2)OCC3CO3,carcinogenic
+48413620,C1CC(=O)OC2=CC=CC=C21,carcinogenic
+48413621,CCCC1=CC2=C(C=C1)OCO2,carcinogenic
+48413622,C1=CC(=C(C=C1C2=CC(=C(C=C2)N)O)O)N.Cl.Cl,carcinogenic
+48413624,CC(C)CCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCC(C)C,carcinogenic
+48413627,CNC(=O)CSP(=S)(OC)OC,non-carcinogenic
+48413629,CC1CC(OC(O1)C)OC(=O)C,non-carcinogenic
+48413630,COC1=CC(=C(C=C1)OC)C=CC2=CC=C(C=C2)N,carcinogenic
+48413631,COC1=CC(=C(C=C1)N)OC.Cl,non-carcinogenic
+48413632,COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=C=O)OC)N=C=O,non-carcinogenic
+48413633,COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)OC)N.Cl.Cl,carcinogenic
+48413641,CO[P+](=O)OC,non-carcinogenic
+48413642,COP(=O)(C)OC,non-carcinogenic
+48413643,COP(=O)(N1CCOCC1)OC,non-carcinogenic
+48413646,COC(=O)C1=CC=C(C=C1)C(=O)OC,non-carcinogenic
+48413647,CC(=O)N(C)C,non-carcinogenic
+48413648,CCC(C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2)OC(=O)C.Cl,non-carcinogenic
+48413649,CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2.Cl,non-carcinogenic
+48413651,CC1=CC(=CC(=C1N(C)C)C)O,non-carcinogenic
+48413652,CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)C,non-carcinogenic
+48413653,CN(C)CCO,non-carcinogenic
+48413656,CN(C)C1=CC=CC=C1,non-carcinogenic
+48413657,C[As](=O)(C)O,non-carcinogenic
+48413659,CC1=C2C=CC3=CC=CC=C3C2=C(C4=CC=CC=C14)C,carcinogenic
+48413660,CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)C)N.Cl.Cl,carcinogenic
+48413661,CN(C)C(=O)Cl,carcinogenic
+48413662,CNC.CN(C)C(=S)S,non-carcinogenic
+48413664,CN(C)C=O,non-carcinogenic
+48413665,CN(C)N,carcinogenic
+48413666,CNNC.Cl.Cl,carcinogenic
+48413670,CC(=CCl)C,carcinogenic
+48413672,CCCCCCC(C)C1=CC(=CC(=C1OC(=O)C=CC)[N+](=O)[O-])[N+](=O)[O-],non-carcinogenic
+48413673,C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])O,non-carcinogenic
+48413674,C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[O-].[Na+],non-carcinogenic
+48413678,C1CN(CCN1N=O)N=O,carcinogenic
+48413681,CC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-],carcinogenic
+48413681,CC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-],carcinogenic
+48413684,C1COCCO1,carcinogenic
+48413685,CCOP(=S)(OCC)SC1C(OCCO1)SP(=S)(OCC)OCC,non-carcinogenic
+48413686,C1CCN(CC1)C(=S)SSSSSSC(=S)N2CCCCC2,non-carcinogenic
+48413688,CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2.Cl,non-carcinogenic
+48413689,C1=CC=C(C=C1)NC2=CC=C(C=C2)NC3=CC=CC=C3,non-carcinogenic
+48413690,C1=CC=C(C=C1)C(C#N)C2=CC=CC=C2,non-carcinogenic
+48413691,C1=CC=C(C=C1)OC(=O)OC2=CC=CC=C2,non-carcinogenic
+48413692,C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC=CC=C3,carcinogenic
+48413694,CCC(O)OC(CC)O,non-carcinogenic
+48413695,CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)CS(=O)(=O)[O-].[Na+],carcinogenic
+48413697,C(=S)(N)NNC(=S)N,non-carcinogenic
+48413700,CCCCCCCCCCCCN=C(N)N.CC(=O)O,non-carcinogenic
+48413704,CC(C1=CC=CC=C1)(C2=CC=CC=N2)OCCN(C)C.C(CC(=O)O)C(=O)O,carcinogenic
+48413705,CC(C1CCC2(C1(CCC3C2=CC(=O)C4C3(CC(C(C4)O)O)C)C)O)C(CCC(C)(C)O)O,carcinogenic
+48413708,C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)O)CC(=O)[O-].O.O.O.[Na+].[Na+].[Na+],non-carcinogenic
+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-carcinogenic
+48413713,CC1=CC(=C2C(=C1)C(=O)C3=CC(=CC(=C3C2=O)O)O)O,non-carcinogenic
+48413715,C1C2C(COS(=O)O1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl,non-carcinogenic
+48413716,C1C2C3C(C1C4C2O4)C5(C(=C(C3(C5(Cl)Cl)Cl)Cl)Cl)Cl,non-carcinogenic
+48413717,C(C(OC(F)F)(F)F)(F)Cl,non-carcinogenic
+48413718,CC12CCC3C(C1CCC2(C#C)O)CCC4=C3CCC(=O)C4,carcinogenic
+48413718,CC12CCC3C(C1CCC2(C#C)O)CCC4=C3CCC(=O)C4,carcinogenic
+48413720,CC(C(C1=CC=CC=C1)O)NC.CC(C(C1=CC=CC=C1)O)NC.OS(=O)(=O)O,non-carcinogenic
+48413721,C1C(O1)CCl,non-carcinogenic
+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-carcinogenic
+48413724,CCC1CO1,non-carcinogenic
+48413725,C(C(C1C(=C(C(=O)O1)O)O)O)[O-].[Na+],non-carcinogenic
+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-carcinogenic
+48413727,C1C2=NN=CN2C3=C(C=C(C=C3)Cl)C(=N1)C4=CC=CC=C4,non-carcinogenic
+48413728,CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O,non-carcinogenic
+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,carcinogenic
+48413730,COC1=CC=C(C=C1)CC=C,carcinogenic
+48413732,CCC1=NC=CC(=C1)C(=S)N,carcinogenic
+48413734,CCSCCC(C(=O)O)N,carcinogenic
+48413736,CCOC1=CC=CC=C1C(=O)N,carcinogenic
+48413738,CCOC(=O)C=C,carcinogenic
+48413739,CCO,non-carcinogenic
+48413742,CCOC(=O)CBr,non-carcinogenic
+48413744,CCC1=CC=C(C=C1)C(C2=CC=C(C=C2)CC)C(Cl)Cl,non-carcinogenic
+48413745,CCN(C=O)N,carcinogenic
+48413747,CCN(C(=N[N+](=O)[O-])N)N=O,carcinogenic
+48413749,CCN(CC)C(=S)S[Te](SC(=S)N(CC)CC)(SC(=S)N(CC)CC)SC(=S)N(CC)CC,non-carcinogenic
+48413751,CCC1=CC=CC=C1,carcinogenic
+48413752,C(CO)O,non-carcinogenic
+48413753,C1COS(=O)(=O)O1,non-carcinogenic
+48413754,C1CN1,carcinogenic
+48413755,C1CO1,carcinogenic
+48413756,C1CNC(=S)N1,carcinogenic
+48413757,C1CNC(=O)N1,non-carcinogenic
+48413758,C(CNC(=S)[S-])NC(=S)[S-].[Na+].[Na+],non-carcinogenic
+48413760,CCCCC(CC)CO,carcinogenic
+48413761,CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC,carcinogenic
+48413762,CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OCC(CC)CCCC,carcinogenic
+48413763,CCNN.Cl,carcinogenic
+48413768,CCS(=O)(=O)C1=CC=C(C2=CC=CC=C21)S(=O)(=O)N,carcinogenic
+48413769,CC(=O)OC1CCC2C3CCC4(C(C3CCC2=C1)CCC4(C#C)OC(=O)C)C,non-carcinogenic
+48413770,CCC1=CC=CC2=C1NC3=C2CCOC3(CC)CC(=O)O,non-carcinogenic
+48413771,CC1(C2CCC(O1)(CC2)C)C,non-carcinogenic
+48413772,COC1=C(C=CC(=C1)CC=C)O,non-carcinogenic
+48413774,CN(C)C1=CC=C(C=C1)N=NS(=O)(=O)[O-].[Na+],non-carcinogenic
+48413775,CC1=C(C=CC(=C1)OP(=S)(OC)OC)SC,non-carcinogenic
+48413776,CC(C)C(C1=CC=C(C=C1)Cl)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3,non-carcinogenic
+48413778,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.O.O.O.O.[Fe+3],non-carcinogenic
+48413779,CN(C)C(=S)[S-].CN(C)C(=S)[S-].CN(C)C(=S)[S-].[Fe+3],non-carcinogenic
+48413780,CC12CCC3C(C1CCC2C(=O)NC(C)(C)C)CCC4C3(C=CC(=O)N4)C,carcinogenic
+48413781,CC(=O)O.C1CCNC(C1)CNC(=O)C2=C(C=CC(=C2)OCC(F)(F)F)OCC(F)(F)F,non-carcinogenic
+48413782,C1=CC(=C(C=C1F)F)C(CN2C=NC=N2)(CN3C=NC=N3)O,non-carcinogenic
+48413783,CN(C)C(=O)NC1=CC=CC(=C1)C(F)(F)F,non-carcinogenic
+48413785,[F-].[Na+],non-carcinogenic
+48413786,C1=CC(=CC=C1C2=CC=C(C=C2)F)N,carcinogenic
+48413789,C1=C(C(=O)NC(=O)N1)F,carcinogenic
+48413790,CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F.Cl,non-carcinogenic
+48413792,C=O,carcinogenic
+48413795,C1=C(OC(=C1)[N+](=O)[O-])C2=CSC(=N2)NNC=O,carcinogenic
+48413797,C(=O)NN,carcinogenic
+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,carcinogenic
+48413801,C1=COC=C1,carcinogenic
+48413802,C1=COC(=C1)C=O,carcinogenic
+48413803,C1=COC(=C1)CO,carcinogenic
+48413804,C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)Cl,carcinogenic
+48413808,CC1=CC(=C(C=C1)C)OCCCC(C)(C)C(=O)O,non-carcinogenic
+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-],carcinogenic
+48413810,CC(=CCCC(=CCOC(=O)C)C)C,non-carcinogenic
+48413812,CC12C(C=CC3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)OC2=O)O,non-carcinogenic
+48413813,CC1=CC=CN2C1=NC3=C2N=C(C=C3)N,carcinogenic
+48413814,C1=CC2=NC3=C(N2C=C1)N=C(C=C3)N,carcinogenic
+48413815,C(CC(=O)O)C(C(=O)O)N,non-carcinogenic
+48413816,C1=CC(=CC=C1C(=O)O)NNC(=O)CCC(C(=O)O)N,carcinogenic
+48413817,C1=CC(=CC=C1CO)NNC(=O)CCC(C(=O)O)N,non-carcinogenic
+48413818,C(CC=O)CC=O,non-carcinogenic
+48413823,C1C(O1)CO,carcinogenic
+48413825,C1COS(=O)O1,non-carcinogenic
+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-carcinogenic
+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-carcinogenic
+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-carcinogenic
+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-carcinogenic
+48413831,CC1CC(=O)C=C(C12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)OC,carcinogenic
+48413834,C1=C2C(=C(C(=C1Cl)Cl)Cl)OC3=C(C(=C(C=C3O2)Cl)Cl)Cl,carcinogenic
+48413836,C1=CC(C2C1C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl)Cl,carcinogenic
+48413839,C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)Cl,carcinogenic
+48413841,C1(C(C(C(C(C1Cl)Cl)Cl)Cl)Cl)Cl,carcinogenic
+48413841,C1(C(C(C(C(C1Cl)Cl)Cl)Cl)Cl)Cl,carcinogenic
+48413841,C1(C(C(C(C(C1Cl)Cl)Cl)Cl)Cl)Cl,carcinogenic
+48413841,C1(C(C(C(C(C1Cl)Cl)Cl)Cl)Cl)Cl,carcinogenic
+48413845,C1(=C(C(C(=C1Cl)Cl)(Cl)Cl)Cl)Cl,non-carcinogenic
+48413846,C(C(Cl)(Cl)Cl)(Cl)(Cl)Cl,carcinogenic
+48413847,C1=C(C(=C(C(=C1Cl)Cl)CC2=C(C(=CC(=C2Cl)Cl)Cl)O)O)Cl,non-carcinogenic
+48413848,CC=CC=CC=O,carcinogenic
+48413849,CN(C)C(=O)NC1CC2CC1C3C2CCC3,non-carcinogenic
+48413850,C1N2CN3CN1CN(C2)C3,non-carcinogenic
+48413853,CCCCCC=NN(C)C=O,carcinogenic
+48413854,CCCCCC(=O)N,carcinogenic
+48413855,CCCCCC,carcinogenic
+48413858,CCCCCCC1=C(C=C(C=C1)O)O,non-carcinogenic
+48413861,NN,carcinogenic
+48413862,NN.OS(=O)(=O)O,carcinogenic
+48413863,C1=CC(=CC=C1C2=CSC(=N2)NN)N,carcinogenic
+48413864,C1=C(OC(=C1)[N+](=O)[O-])C2=CSC(=N2)NN,carcinogenic
+48413865,C1=CC(=CC=C1C2=CSC(=N2)NN)[N+](=O)[O-],carcinogenic
+48413867,C1=CC(=CC=C1C(=O)O)NN,non-carcinogenic
+48413868,C1=CC(=CC=C1C(=O)O)NN.Cl,carcinogenic
+48413869,C1=CC=C(C=C1)NNC2=CC=CC=C2,carcinogenic
+48413872,C1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl,non-carcinogenic
+48413874,OO,carcinogenic
+48413875,C1=CC(=CC=C1O)O,carcinogenic
+48413876,C1=CC=C(C=C1)COC2=CC=C(C=C2)O,non-carcinogenic
+48413878,CC(=O)N(C1=CC2=C(C=C1)C3=CC=CC=C3C2)O,carcinogenic
+48413880,CCOC1=CC=C(C=C1)NC(=O)CC(C)O,carcinogenic
+48413882,COC1=CC=C(C=C1)C(C=C)O,carcinogenic
+48413885,C(CO)N(C(=O)N)N=O,carcinogenic
+48413887,C(CO)NN,carcinogenic
+48413889,C1=CC2=C(C(=C1)O)N=CC=C2,non-carcinogenic
+48413890,C=CC(C1=CC2=C(C=C1)OCO2)O,carcinogenic
+48413892,CC(CN1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2,carcinogenic
+48413893,C1=CN(N=C1NC(=NCC(F)(F)F)N)CCCCC(=O)N,carcinogenic
+48413894,CS(=O)(=O)OCCCNCCCOS(=O)(=O)C.Cl,non-carcinogenic
+48413896,C1=CC=C2C(=C1)C=CN2,non-carcinogenic
+48413897,C1=CC=C2C(=C1)C(=CN2)CC(=O)O,non-carcinogenic
+48413900,CC(C1OCC(O1)CO)I,carcinogenic
+48413902,C(I)(I)I,non-carcinogenic
+48413904,CN1C2=C(C3=C(C=C2)N=CC=C3)N=C1N,carcinogenic
+48413908,CC(=C)C,non-carcinogenic
+48413909,CC(C)COC(=O)C1=CC=C(C=C1)O,non-carcinogenic
+48413910,CC(C)CON=O,carcinogenic
+48413912,CC(C)C=O,non-carcinogenic
+48413913,C(C(F)(F)F)(OC(F)F)Cl,non-carcinogenic
+48413914,C(C1C(C(C(C(O1)OCC(C(C(C(CO)O)O)O)O)O)O)O)O,non-carcinogenic
+48413916,C1=CN=CC=C1C(=O)NN,carcinogenic
+48413917,C1=CN=CC=C1C(=O)N,non-carcinogenic
+48413918,C1=CN=CC=C1C(=O)O,non-carcinogenic
+48413919,COC1=CC(=CNNC(=O)C2=CC=NC=C2)C=CC1=O,carcinogenic
+48413920,CC1=CC(=O)CC(C1)(C)C,non-carcinogenic
+48413921,C1CN(P(=O)(OC1)NCCCl)CCCl,carcinogenic
+48413922,CC(=C)C=C,carcinogenic
+48413923,CC(C)O,non-carcinogenic
+48413924,CC(C)OC1=CC=C(C=C1)NC2=CC=CC=C2,non-carcinogenic
+48413925,CC(C)OC(=O)NC1=CC(=CC=C1)Cl,non-carcinogenic
+48413926,CC1=NN(C(=C1)OC(=O)N(C)C)C(C)C,non-carcinogenic
+48413927,CC(C)OC(=O)NC1=CC=CC=C1,non-carcinogenic
+48413928,CC=CC1=CC2=C(C=C1)OCO2,non-carcinogenic
+48413933,C1(=O)C2(C3(C4(C1(C5(C2(C3(C(C45Cl)(Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl,carcinogenic
+48413935,C1=C(OC=C(C1=O)O)CO,carcinogenic
+48413937,CC(=O)[O-].CC(=O)[O-].[Pb+2],non-carcinogenic
+48413938,CC(=O)O[Pb]OC(=O)C.O.O.O.O.[Pb].[Pb],carcinogenic
+48413939,CN(C)C(=S)S[Pb]SC(=S)N(C)C,non-carcinogenic
+48413940,CC(C)CC(C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C=O)NC(=O)C,carcinogenic
+48413941,CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O.Cl,non-carcinogenic
+48413942,CC1=CCC(CC1)C(=C)C,non-carcinogenic
+48413943,CC(CCC(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C,non-carcinogenic
+48413948,CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)C,carcinogenic
+48413950,CC1=NC=C(C=C1)CC2=CN=C(NC2=O)NCCSCC3=CC=C(O3)CN(C)C.Cl.Cl.Cl,non-carcinogenic
+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,carcinogenic
+48413952,CC(=O)C1(CCC2C1(CCC3C2C=C(C4=CC(=O)CCC34C)Cl)C)OC(=O)C,non-carcinogenic
+48413953,O.O.O.O.O.O.[Mg+2].[Cl-].[Cl-],non-carcinogenic
+48413954,CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC,non-carcinogenic
+48413955,CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC,non-carcinogenic
+48413956,C1=CC(=O)NNC1=O,non-carcinogenic
+48413957,C(=C[O-])C=O.[Na+],carcinogenic
+48413958,C(CNC(=S)[S-])NC(=S)[S-].[Mn+2],non-carcinogenic
+48413959,O.[O-]S(=O)(=O)[O-].[Mn+2],non-carcinogenic
+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-carcinogenic
+48413961,C(C(C(C(C(CO)O)O)O)O)O,non-carcinogenic
+48413963,CC1=C(N=C2C(=C1)C3=CC=CC=C3N2)[NH3+].CC(=O)[O-],carcinogenic
+48413964,CC1=CC2=C(C=CC=N2)C3=C1N(C(=N3)N)C,carcinogenic
+48413965,CC1=CN=C2C=CC3=C(C2=N1)N=C(N3C)N,carcinogenic
+48413966,C1(=NC(=NC(=N1)N)N)N,non-carcinogenic
+48413968,C1=CC(=CC=C1CC(C(=O)O)N)N(CCCl)CCCl,carcinogenic
+48413969,CC1CCC(C(C1)O)C(C)C,non-carcinogenic
+48413971,C1=CC=C2C(=C1)NC(=S)S2,non-carcinogenic
+48413972,C1=CC=C2C(=C1)N=C(S2)[S-].C1=CC=C2C(=C1)N=C(S2)[S-].[Zn+2],non-carcinogenic
+48413975,[Cl-].[Cl-].[Hg+2],non-carcinogenic
+48413976,[Cl-].[Hg+],non-carcinogenic
+48413977,C[Hg]Cl,carcinogenic
+48413978,CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)OC,non-carcinogenic
+48413980,CC(=C)C#N,non-carcinogenic
+48413984,COC1=NN(C(=O)S1)CSP(=S)(OC)OC,carcinogenic
+48413986,CSCCC(C(=O)O)N,non-carcinogenic
+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-carcinogenic
+48413988,COC1=C(C=CC(=C1)N)N=NC2=CC=CC=C2,non-carcinogenic
+48413989,COC1=C(C=CC(=C1)N=NC2=CC=CC=C2)N,carcinogenic
+48413992,COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)C(Cl)(Cl)Cl,non-carcinogenic
+48413994,COC(C1=CC=CC=C1)C(=O)O,non-carcinogenic
+48413995,COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2,non-carcinogenic
+48413997,CBr,non-carcinogenic
+48413998,CC(C)(C)OC,carcinogenic
+48413999,COC(=O)N,non-carcinogenic
+48414001,CC1=C(C=CC(=C1)Cl)OCC(=O)O,non-carcinogenic
+48414002,CC(C)(C(=O)OC)OC1=CC=C(C=C1)C2=CC=C(C=C2)Cl,carcinogenic
+48414003,CN1C=C(C(=O)C2=C1N=C(C=C2)C=CC3=CC=C(O3)[N+](=O)[O-])C(=O)[O-].[K+],carcinogenic
+48414006,CN(C=O)N,carcinogenic
+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-carcinogenic
+48414010,CC(=C)C(=O)OC,non-carcinogenic
+48414011,COS(=O)(=O)C,carcinogenic
+48414012,CN(C(=N[N+](=O)[O-])N)N=O,carcinogenic
+48414013,CC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-],carcinogenic
+48414020,CCCCCCC(=O)C=CCCCCCCCCC(=O)OC,non-carcinogenic
+48414021,COP(=S)(OC)OC1=CC=C(C=C1)[N+](=O)[O-],non-carcinogenic
+48414022,CN1CCCC1=O,carcinogenic
+48414023,CNC1=NC=NC2=C1NC=N2,non-carcinogenic
+48414024,CNC1=NC=NC2=C1N=CN2C3C(C(C(O3)CO)O)O,non-carcinogenic
+48414025,CC(C1=CC=CC=C1)O,non-carcinogenic
+48414026,CC(C)CC=NN(C)C=O,carcinogenic
+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-carcinogenic
+48414032,C1=CC(=C(C=C1CC2=CC(=C(C=C2)N)Cl)Cl)N.Cl.Cl,carcinogenic
+48414034,C(Cl)Cl,carcinogenic
+48414035,CN(C)C1=CC=C(C=C1)CC2=CC=C(C=C2)N(C)C,carcinogenic
+48414037,C1=CC(=CC=C1CC2=CC=C(C=C2)N)N.Cl.Cl,carcinogenic
+48414038,CCC(=NO)C,carcinogenic
+48414039,COC1=C(C=C(C=C1)CC=C)OC,carcinogenic
+48414042,CNN,carcinogenic
+48414043,CN[NH3+].OS(=O)(=O)[O-],carcinogenic
+48414045,CC1=NC=CN1,carcinogenic
+48414046,CC1=CC=CC2=CC=CC=C12,non-carcinogenic
+48414047,CC1=CC2=CC=CC=C2C=C1,non-carcinogenic
+48414051,CN(C1=NC=NC2=C1NC=N2)N=O,carcinogenic
+48414052,CN(C1=NC=NC2=C1N=CN2C3C(C(C(O3)CO)O)O)N=O,carcinogenic
+48414054,C=CC(=O)NCO,carcinogenic
+48414055,COC(=O)C(C1CCCCN1)C2=CC=CC=C2.Cl,carcinogenic
+48414058,CC1=CC=C(C=C1)C=C,non-carcinogenic
+48414059,CC1=CC(=O)NC(=S)N1,non-carcinogenic
+48414061,C(CNC(=S)[S-])NC(=S)[S-].[Zn+2],non-carcinogenic
+48414062,CC1=NC=C(N1CCO)[N+](=O)[O-],carcinogenic
+48414063,CC1=CC(=CC(=C1N(C)C)C)OC(=O)NC,non-carcinogenic
+48414064,CN(C)C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)N(C)C,carcinogenic
+48414065,C12(C3(C4(C5(C3(C(C1(C5(C2(C4(Cl)Cl)Cl)Cl)Cl)(Cl)Cl)Cl)Cl)Cl)Cl)Cl,carcinogenic
+48414067,CCCCC(C)(CC=CC1C(CC(=O)C1CCCCCCC(=O)OC)O)O,non-carcinogenic
+48414069,O=[Mo](=O)=O,carcinogenic
+48414070,CC(=O)NN,carcinogenic
+48414071,C(C(=O)O)Cl,non-carcinogenic
+48414073,C[As](=O)(O)O,non-carcinogenic
+48414076,C(CC(=O)[O-])C(C(=O)O)N.[Na+],non-carcinogenic
+48414077,C(CC(=O)O)C(C(=O)[O-])N.[Na+],non-carcinogenic
+48414083,CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)O,non-carcinogenic
+48414084,C1=CC=C2C=CC=CC2=C1,carcinogenic
+48414085,C1=CC=C2C(=C1)C=CC=C2CC(=O)N,non-carcinogenic
+48414086,C1=CC=C2C(=C1)C=CC=C2CC(=O)O,non-carcinogenic
+48414087,C1=CC2=C(C=CC=C2N)C(=C1)N,carcinogenic
+48414088,C1=CC=C2C(=C1)C=CC=C2NCCN.Cl.Cl,non-carcinogenic
+48414089,C1=CC=C2C=C(C=CC2=C1)NC3=CC=C(C=C3)NC4=CC5=CC=CC=C5C=C4,non-carcinogenic
+48414090,C1=CC=C2C(=C1)C=CC=C2NC(=S)N,non-carcinogenic
+48414091,C1=CC=C2C(=C1)C=CC=C2N,carcinogenic
+48414092,C1=CC=C2C=C(C=CC2=C1)N,carcinogenic
+48414093,C1=CC=C2C(=C1)C=CC(=C2S(=O)(=O)O)N,non-carcinogenic
+48414094,CC1=C(C(=CC=C1)C)NC(=O)CN2CCCC2=O,non-carcinogenic
+48414097,CC(=O)[O-].CC(=O)[O-].[Ni+2],non-carcinogenic
+48414098,CCCCN(CCCC)C(=S)[S-].CCCCN(CCCC)C(=S)[S-].[Ni+2],non-carcinogenic
+48414099,O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[Ni+2],non-carcinogenic
+48414100,C1=CC(=CN=C1)C(=O)N,non-carcinogenic
+48414102,CN1CCCC1C2=CN=CC=C2.Cl,non-carcinogenic
+48414103,C1=CC(=CN=C1)C(=O)O,non-carcinogenic
+48414104,C1=CC(=CN=C1)C(=O)NN,carcinogenic
+48414106,[O-][Nb](=O)=O.[Na+],non-carcinogenic
+48414107,CCNC(=O)NC1=NC=C(S1)[N+](=O)[O-],carcinogenic
+48414109,[N]=O,non-carcinogenic
+48414110,C(C(=O)O)N(CC(=O)O)CC(=O)O,carcinogenic
+48414111,C(C(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].O.[Na+].[Na+].[Na+],non-carcinogenic
+48414112,N(=O)[O-].[Na+],non-carcinogenic
+48414113,CCOC1=C(C=C(C=C1)NC(=O)C)[N+](=O)[O-],carcinogenic
+48414114,COC1=C(C=C(C=C1)[N+](=O)[O-])N,carcinogenic
+48414115,C1=C(OC(=C1)[N+](=O)[O-])C=NNC(=O)N,carcinogenic
+48414118,C1=CC2=NC=C(N2C=C1)C3=CC=C(O3)[N+](=O)[O-],carcinogenic
+48414121,CC(=O)NC1=NN=C(S1)C2=CC=C(O2)[N+](=O)[O-],carcinogenic
+48414124,C1=C(OC(=C1)[N+](=O)[O-])C2=CSC(=N2)NC=O,carcinogenic
+48414126,CCC=C(CC)[N+](=O)[O-],carcinogenic
+48414127,C1=CC(=C(C=C1[As](=O)(O)O)[N+](=O)[O-])O,non-carcinogenic
+48414128,C1=CC(=C(C=C1N)[N+](=O)[O-])N,carcinogenic
+48414129,C1=CC(=C(C=C1[N+](=O)[O-])N)N,non-carcinogenic
+48414130,CC1=C(C=C(C=C1)[N+](=O)[O-])N,carcinogenic
+48414131,C1CC2=CC=CC3=C(C=CC1=C23)[N+](=O)[O-],carcinogenic
+48414132,C1=CC(=CC=C1N)[N+](=O)[O-],non-carcinogenic
+48414133,COC1=CC=CC=C1[N+](=O)[O-],carcinogenic
+48414134,C1=CC(=C(C=C1[N+](=O)[O-])N)C(=O)O,non-carcinogenic
+48414135,C1=CC=C(C=C1)[N+](=O)[O-],carcinogenic
+48414136,C1=CC2=C(C=C1[N+](=O)[O-])NC=N2,carcinogenic
+48414137,C1=CC(=CC=C1C(=O)O)[N+](=O)[O-],non-carcinogenic
+48414141,C1=CC(=CC=C1[N+](=O)[O-])OC2=C(C=C(C=C2)Cl)Cl,carcinogenic
+48414143,C1C(=O)NC(=O)N1N=CC2=CC=C(O2)[N+](=O)[O-],carcinogenic
+48414148,C[N+](=O)[O-],carcinogenic
+48414149,C1=CC=C2C(=C1)C=CC=C2[N+](=O)[O-],non-carcinogenic
+48414153,C(C[N+](=O)[O-])C(=O)O,non-carcinogenic
+48414177,CN(C(=O)N)N=O,carcinogenic
+48414195,CN(C1=NC2=C(C=C(C=C2)Cl)C(=[N+](C1)[O-])C3=CC=CC=C3)N=O,non-carcinogenic
+48414196,CC1=C(N=CN1)CSCCN=C(NC#N)N(C)N=O,non-carcinogenic
+48414197,CCCCN(CCCC)N=O,carcinogenic
+48414200,CN(C)N=O,carcinogenic
+48414201,C1=CC=C(C=C1)N(C2=CC=CC=C2)N=O,non-carcinogenic
+48414202,C1=CC=C(C=C1)NC2=CC=C(C=C2)N=O,carcinogenic
+48414211,C1CCCN(CC1)N=O,carcinogenic
+48414226,COC(=O)C(C1CCCCN1N=O)C2=CC=CC=C2,non-carcinogenic
+48414233,C1CCN(CC1)N=O,carcinogenic
+48414235,C1CCN(C1)N=O,carcinogenic
+48414239,CC1=CC=CC=C1[N+](=O)[O-],carcinogenic
+48414240,CC1=CC=C(C=C1)[N+](=O)[O-],non-carcinogenic
+48414241,N#[N+][O-],non-carcinogenic
+48414242,CC1=CC2C(C(C1=O)O)(C3(C(C(C(C34CO4)O2)O)O)C)CO,non-carcinogenic
+48414243,C1=C(C(=C(C(=C1Br)Br)Br)C2=C(C(=C(C(=C2Br)Br)Br)Br)Br)Br,carcinogenic
+48414244,CC12CCC3C(C1CCC2(C#C)O)CCC4=C3CCC(=O)C4,non-carcinogenic
+48414246,CC(=O)OC1(CCC2C1(CCC3C2CCC4=CC(=O)CCC34)C)C#C,carcinogenic
+48414247,C1=CC=C(C=C1)C(=O)OOC(=O)C2=CC=CC=C2,non-carcinogenic
+48414248,CC1CC2=C(C=C(C(=C2C(=O)O1)O)C(=O)NC(CC3=CC=CC=C3)C(=O)O)Cl,carcinogenic
+48414249,C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)C(=C(Cl)Cl)Cl,non-carcinogenic
+48414255,CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC,non-carcinogenic
+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-carcinogenic
+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-carcinogenic
+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-carcinogenic
+48414261,CC(=O)OC1CCC2C3CCC4(C(C3CCC2=C1)CCC4(C#C)OC(=O)C)C,non-carcinogenic
+48414262,CNC(=O)ON=C(C(=O)N(C)C)SC,non-carcinogenic
+48414263,C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)O,carcinogenic
+48414265,CCN1C=C(C(=O)C2=CC3=C(C=C21)OCO3)C(=O)O,non-carcinogenic
+48414269,CC(C)NCC(COC1=CC=CC=C1OCC=C)O.Cl,non-carcinogenic
+48414270,C1=CC(=CC=C1N)OC2=CC=C(C=C2)N,carcinogenic
+48414272,C1COCCN1SC2=NC3=CC=CC=C3S2,non-carcinogenic
+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-carcinogenic
+48414275,[O-][O+]=O,carcinogenic
+48414277,CCOP(=S)(OCC)OC1=CC=C(C=C1)[N+](=O)[O-],non-carcinogenic
+48414279,CC1(C(N2C(S1)C(C2=O)NC(=O)COC3=CC=CC=C3)C(=O)[O-])C.[K+],non-carcinogenic
+48414280,COC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl,carcinogenic
+48414281,C(C(Cl)(Cl)Cl)(Cl)Cl,carcinogenic
+48414282,C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)[N+](=O)[O-],carcinogenic
+48414283,C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)O,non-carcinogenic
+48414283,C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)O,non-carcinogenic
+48414283,C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)O,non-carcinogenic
+48414286,C(C(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-])O[N+](=O)[O-],non-carcinogenic
+48414287,CCCCC=NN(C)C=O,carcinogenic
+48414289,CCCCCNN.Cl,carcinogenic
+48414293,CCOC1=CC=C(C=C1)NC(=O)C,carcinogenic
+48414295,C1=CC=C(C=C1)N=NC2=C(N=C(C=C2)N)N.Cl,carcinogenic
+48414296,CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CC5=CC=C(C=C5)N(CCCl)CCCl)C)C,carcinogenic
+48414298,C1=CC=C(C=C1)CCN=C(N)N=C(N)N.Cl,non-carcinogenic
+48414299,CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2,carcinogenic
+48414300,CCC1(C(=O)NC(=NC1=O)[O-])C2=CC=CC=C2.[Na+],carcinogenic
+48414301,C1=CC=C(C=C1)O,non-carcinogenic
+48414302,C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O,carcinogenic
+48414303,C1=CC=C2C(=C1)NC3=CC=CC=C3S2,non-carcinogenic
+48414304,CC(COC1=CC=CC=C1)N(CCCl)CC2=CC=CC=C2.Cl,carcinogenic
+48414306,C1=CC=C(C=C1)N=C=S,non-carcinogenic
+48414307,CC1=NN(C(=O)C1)C2=CC=CC=C2,non-carcinogenic
+48414308,C1=CC=C(C=C1)NC2=CC3=CC=CC=C3C=C2,non-carcinogenic
+48414309,C1=CC=C(C=C1)NC2=CC=C(C=C2)N.Cl,non-carcinogenic
+48414310,C1=CC=C(C=C1)C(COC(=O)N)COC(=O)N,carcinogenic
+48414311,C1=CC=C(C=C1)C(=CCCCCC(=O)O)C2=CN=CC=C2,non-carcinogenic
+48414312,C1=CC=C(C=C1)NC(=S)N,non-carcinogenic
+48414313,C1=CC=C(C=C1)NN=C2C(=O)C=CC3=CC=CC=C32,non-carcinogenic
+48414314,CCCCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3,carcinogenic
+48414315,C1=CC(=CC(=C1)N)N,non-carcinogenic
+48414317,C1=CC(=CC(=C1)N)N.Cl.Cl,non-carcinogenic
+48414318,C1=CC=C(C(=C1)N)N.Cl.Cl,carcinogenic
+48414319,C1=CC(=CC=C1N)N.Cl.Cl,non-carcinogenic
+48414320,CNCC(C1=CC(=CC=C1)O)O.Cl,non-carcinogenic
+48414322,C1=CC=C(C=C1)CCNN.OS(=O)(=O)O,carcinogenic
+48414325,C1=CC=C(C=C1)NN,non-carcinogenic
+48414326,C1=CC=C(C=C1)NN.Cl,carcinogenic
+48414327,CC(CC1=CC=CC=C1)NN.Cl,non-carcinogenic
+48414328,CC(=O)O[Hg]C1=CC=CC=C1,non-carcinogenic
+48414329,C1=CC=C(C=C1)C2=CC=CC=C2O,non-carcinogenic
+48414330,C1=CC=C(C=C1)C2=CC=C(C=C2)O,non-carcinogenic
+48414331,C1=CC=C(C=C1)C2=CC=CC=C2[O-].[Na+],non-carcinogenic
+48414333,CN1C2=C(N=CC(=C2)C3=CC=CC=C3)N=C1N.Cl,carcinogenic
+48414334,CC1C(C2(C(C2(C)C)C3C1(C4C=C(C(=O)C4(CC(=C3)CO)O)C)O)O)O,carcinogenic
+48414335,CCN(CC)C(=O)C(=C(C)OP(=O)(OC)OC)Cl,non-carcinogenic
+48414337,C1=CC=C(C(=C1)C(=O)N)C(=O)N,non-carcinogenic
+48414338,C1=CC=C2C(=C1)C(=O)OC2=O,non-carcinogenic
+48414339,C1(=C(C(=NC(=C1Cl)Cl)C(=O)O)Cl)N,non-carcinogenic
+48414340,CC(CN(C)C1=NN=C(C=C1)NN)O.Cl.Cl,non-carcinogenic
+48414345,CCCCOCCOCCOCC1=CC2=C(C=C1CCC)OCO2,carcinogenic
+48414345,CCCCOCCOCCOCC1=CC2=C(C=C1CCC)OCO2,carcinogenic
+48414347,CCCCCCCCS(=O)C(C)CC1=CC2=C(C=C1)OCO2,carcinogenic
+48414348,CC1CCCC(N1CCCC(C2=CC=CC=C2)(C3=CC=CC=N3)O)C.Cl,non-carcinogenic
+48414350,CC1(COC1=O)C,non-carcinogenic
+48414352,C1=C(C(=CC(=C1Br)Br)Br)C2=CC(=C(C=C2Br)Br)Br,carcinogenic
+48414355,CCCCCCCCCC1=CC=C(C=C1)OCCOCCO,non-carcinogenic
+48414356,CCCCCCCCC=CCCCCCCCC(=O)OCCOCC(C1C(CC(O1)OCCO)OCCO)OCCO,non-carcinogenic
+48414357,C=CC1=CC=CC=[N+]1[O-],non-carcinogenic
+48414361,CC(C)NCC(COC1=CC=C(C=C1)NC(=O)C)O,non-carcinogenic
+48414363,C1CC1CN2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4,non-carcinogenic
+48414367,CC12CC(=O)C3C(C1CCC2(C(=O)CO)O)CCC4=CC(=O)C=CC34C,non-carcinogenic
+48414369,CC1=CC=CC=C1OCC(CNCCN2C=C(C(=O)NC2=O)C)O.Cl,non-carcinogenic
+48414370,CCC1(C(=O)NCNC1=O)C2=CC=CC=C2,carcinogenic
+48414371,CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)O,carcinogenic
+48414373,CC(C)NC(=O)C1=CC=C(C=C1)CNNC.Cl,carcinogenic
+48414375,CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)N(C)C.Cl,non-carcinogenic
+48414376,CC(C)NCC(C1=CC2=CC=CC=C2C=C1)O,non-carcinogenic
+48414377,CC(C)NCC(C1=CC2=CC=CC=C2C=C1)O.Cl,non-carcinogenic
+48414379,CC(C)NC1=NC(=NC(=N1)Cl)NC(C)C,non-carcinogenic
+48414380,C1COC1=O,carcinogenic
+48414381,CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O.Cl,non-carcinogenic
+48414382,CCCCN(CC)C(=O)SCCC,non-carcinogenic
+48414383,CCCN(C=O)N,carcinogenic
+48414384,CCCOC(=O)C1=CC(=C(C(=C1)O)O)O,non-carcinogenic
+48414385,CCCOC(=O)C1C(CC2=CC3=C(C=C2C1C(=O)OCCC)OCO3)C,non-carcinogenic
+48414388,CC=C,non-carcinogenic
+48414390,CC(COC(C)(C)C)O,carcinogenic
+48414391,CC1CO1,carcinogenic
+48414392,CCCNN.Cl,carcinogenic
+48414393,CCCC1=CC(=O)NC(=S)N1,carcinogenic
+48414394,CC1=CC2=C(C=C1)C(=NC(=O)N2C(C)C)C3=CC=CC=C3,non-carcinogenic
+48414399,C1=CN=C(C=N1)C(=O)N,non-carcinogenic
+48414400,C1=CC=NC=C1,carcinogenic
+48414401,CN(C)CCN(CC1=CC=C(C=C1)OC)C2=CC=CC=N2.C(=CC(=O)O)C(=O)O,non-carcinogenic
+48414402,CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl,non-carcinogenic
+48414403,C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O,non-carcinogenic
+48414406,CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CC3=CC=CC=C3CC2C(=O)O.Cl,non-carcinogenic
+48414407,C1=CC(=CC=C1NO)N=O,non-carcinogenic
+48414408,CN1C=C(C2=CC=CC=C21)C(=O)C3CCC4=C(C3)NC=N4.Cl,non-carcinogenic
+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-carcinogenic
+48414411,CC1=CC(=C(C=C1)NN=C2C(=O)C=CC3=CC=CC=C32)[N+](=O)[O-],carcinogenic
+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-carcinogenic
+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+],carcinogenic
+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-carcinogenic
+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-carcinogenic
+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-carcinogenic
+48414421,C1=CC(=C(C=C1N)[N+](=O)[O-])NCCO,non-carcinogenic
+48414422,COC1C(CC2CN3CCC4=C(C3CC2C1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC,carcinogenic
+48414423,C1=CC(=CC(=C1)O)O,non-carcinogenic
+48414424,CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C,non-carcinogenic
+48414426,CCCCCCCCCCCCCCCC(=O)OCC=C(C)C=CC=C(C)C=CC1=C(CCCC1(C)C)C,non-carcinogenic
+48414428,CCNC1=C(C=C2C(=C1)OC3=CC(=NCC)C(=CC3=C2C4=CC=CC=C4C(=O)OCC)C)C.Cl,non-carcinogenic
+48414429,CC=C1CC(=C)C(C(=O)OCC2=CCN3C2C(CC3)OC1=O)(CO)O,carcinogenic
+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,carcinogenic
+48414431,CCN1C2=C(C(=N1)C)NC(=O)CN=C2C3=CC=CC=C3,carcinogenic
+48414433,C1=CC(=N)C=CC1=C(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N.Cl,carcinogenic
+48414434,CC(=C)C1CC2=C(O1)C=CC3=C2OC4COC5=CC(=C(C=C5C4C3=O)OC)OC,non-carcinogenic
+48414437,C1=CC=C2C(=C1)C(=O)NS2(=O)=O,non-carcinogenic
+48414439,C1=CC=C2C(=C1)C(=O)[N-]S2(=O)=O.[Na+],non-carcinogenic
+48414440,C=CCC1=CC2=C(C=C1)OCO2,carcinogenic
+48414442,C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NN=C3C=CC(=O)C(=C3)C(=O)O,carcinogenic
+48414443,CC1=CCCC(=CC=C(C(CC(=CCC1)C)O)C(C)C)C,non-carcinogenic
+48414444,CN1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4.O.O.O.Br,non-carcinogenic
+48414446,[Se],non-carcinogenic
+48414447,CCN(CC)C(=S)S[Se](SC(=S)N(CC)CC)(SC(=S)N(CC)CC)SC(=S)N(CC)CC,carcinogenic
+48414448,CN(C)C(=S)S[Se](SC(=S)N(C)C)(SC(=S)N(C)C)SC(=S)N(C)C,non-carcinogenic
+48414449,O=[Se]=O,non-carcinogenic
+48414450,S=[Se],carcinogenic
+48414452,CNC1CCC(C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl.Cl,non-carcinogenic
+48414453,C1OC2=C(O1)C=C(C=C2)O,carcinogenic
+48414454,CCNC1=NC(=NC(=N1)Cl)NCC,non-carcinogenic
+48414455,C(=O)(O)[O-].[Na+],non-carcinogenic
+48414456,C1=C(C=C(C(=C1Cl)[O-])SC2=CC(=CC(=C2[O-])Cl)Cl)Cl.[Na+].[Na+],non-carcinogenic
+48414457,[Na+].[Cl-],non-carcinogenic
+48414458,[O-]Cl=O.[Na+],non-carcinogenic
+48414460,CCN(CC)C(=S)[S-].O.O.O.[Na+],non-carcinogenic
+48414461,[O-]Cl.[Na+],non-carcinogenic
+48414463,CC=CC=CC(=O)O,non-carcinogenic
+48414464,CC(C)NCC(C1=CC=C(C=C1)NS(=O)(=O)C)O.Cl,non-carcinogenic
+48414466,COC1=C2C(=C3C4C=COC4OC3=C1)OC5=C(C2=O)C(=CC=C5)O,carcinogenic
+48414469,CN(C(=O)NC1C(C(C(OC1O)CO)O)O)N=O,carcinogenic
+48414470,CC1(C(=C)C2(C(C1(C(C2(Cl)Cl)(Cl)Cl)Cl)Cl)Cl)C,carcinogenic
+48414471,C=CC1=CC=CC=C1,carcinogenic
+48414472,C1=CC=C(C=C1)C=C[N+](=O)[O-],non-carcinogenic
+48414473,C1C(O1)C2=CC=CC=C2,carcinogenic
+48414474,C1CC(=O)OC1=O,non-carcinogenic
+48414475,C(C1C(C(C(C(O1)OC2(C(C(C(O2)CCl)O)O)CCl)O)O)Cl)O,non-carcinogenic
+48414476,C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O)O,non-carcinogenic
+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-carcinogenic
+48414478,CCN(CC)C(=S)SCC(=C)Cl,carcinogenic
+48414479,CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N)C,carcinogenic
+48414480,[O-]S(=O)(=O)[O-].[Na+].[Na+],non-carcinogenic
+48414481,CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)N,non-carcinogenic
+48414482,[O-]S(=O)S(=O)(=O)[O-].[K+].[K+],non-carcinogenic
+48414483,C1C=CCS1(=O)=O,non-carcinogenic
+48414488,CC1=CC2C(CC1OC(=O)CC(C)C)(C3(C(C(C(C34CO4)O2)O)OC(=O)C)C)COC(=O)C,carcinogenic
+48414490,CN1C(=O)CC(NC1=O)C(=O)NC(CC2=CN=CN2)C(=O)N3CCCC3C(=O)N.O.O.O.O,non-carcinogenic
+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,carcinogenic
+48414495,C1CC(OC1)N2C=C(C(=O)NC2=O)F,non-carcinogenic
+48414496,C12C(C(OC1Cl)Cl)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl,non-carcinogenic
+48414497,C(C=CCl)Cl,carcinogenic
+48414497,C(C=CCl)Cl,carcinogenic
+48414499,CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)O)C3=CC=CC=C3,non-carcinogenic
+48414501,C1=CC(=C(C=C1C2=CC(=C(C=C2)N)N)N)N.Cl.Cl.Cl.Cl,carcinogenic
+48414502,COC1=C(C(=C(C(=C1Cl)Cl)[N+](=O)[O-])Cl)Cl,non-carcinogenic
+48414503,C1=C(C(=CC(=C1Cl)N)Cl)C2=CC(=C(C=C2Cl)N)Cl,non-carcinogenic
+48414504,C1=C2C(=CC(=C1Cl)Cl)OC3=CC(=C(C=C3O2)Cl)Cl,carcinogenic
+48414505,C1=CC(=CC=C1S(=O)(=O)C2=CC(=C(C=C2Cl)Cl)Cl)Cl,non-carcinogenic
+48414506,C(C(Cl)(Cl)Cl)Cl,carcinogenic
+48414507,C(C(Cl)Cl)(Cl)Cl,carcinogenic
+48414508,C(=C(Cl)Cl)(Cl)Cl,carcinogenic
+48414509,COP(=O)(OC)OC(=CCl)C1=CC(=C(C=C1Cl)Cl)Cl,carcinogenic
+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-carcinogenic
+48414511,CCN(CC)C(=S)SSC(=S)N(CC)CC,non-carcinogenic
+48414512,C1(=C(C(=C(C(=C1F)F)F)N)F)N.Cl.Cl,carcinogenic
+48414513,C(C(F)(F)F)F,non-carcinogenic
+48414514,C(=C(F)F)(F)F,carcinogenic
+48414516,CCCCCC1=CC2=C(C3C=C(CCC3C(O2)(C)C)C)C(=C1)O,non-carcinogenic
+48414517,C1CCOC1,carcinogenic
+48414519,C(O)[P+](CO)(CO)CO.[Cl-],non-carcinogenic
+48414520,C(O)[P+](CO)(CO)CO.C(O)[P+](CO)(CO)CO.[O-]S(=O)(=O)[O-],non-carcinogenic
+48414521,CN(C)C(=S)SSC(=S)N(C)C,non-carcinogenic
+48414522,CN(C)C(=S)SC(=S)N(C)C,non-carcinogenic
+48414523,C([N+](=O)[O-])([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-],carcinogenic
+48414525,CN1C2=C(C(=O)N(C1=O)C)NC=N2,non-carcinogenic
+48414526,C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3,non-carcinogenic
+48414528,C1CN1P(=S)(N2CC2)N3CC3,carcinogenic
+48414529,CC(=S)N,carcinogenic
+48414530,CC1=CC(=C(C=C1SC2=CC(=C(C=C2C)O)C(C)(C)C)C(C)(C)C)O,non-carcinogenic
+48414531,C1=C(C=C(C(=C1Cl)O)SC2=CC(=CC(=C2O)Cl)Cl)Cl,non-carcinogenic
+48414533,C1=CC(=CC=C1N)SC2=CC=C(C=C2)N,carcinogenic
+48414535,C(=S)(N)NN,non-carcinogenic
+48414536,C1=CNC(=S)NC1=O,carcinogenic
+48414537,C(=S)(N)N,non-carcinogenic
+48414538,CCOC(=O)C1(CCC=CC1N(C)C)C2=CC=CC=C2.C(=CC(=O)O)C(=O)O,non-carcinogenic
+48414539,CC(C)(C)NCC(COC1=CN(C(=O)C2=CC=CC=C21)C)O.Cl,non-carcinogenic
+48414540,[Cl-].[Cl-].[Sn+2],non-carcinogenic
+48414541,O=[Ti]=O,non-carcinogenic
+48414542,C(=O)(C(=O)[O-])O.C(=O)(C(=O)[O-])O.O=[Ti].[K+].[K+],non-carcinogenic
+48414546,CC1=CC(=C(C2=C1OC(CC2)(C)CCCC(C)CCCC(C)CCCC(C)C)C)O,carcinogenic
+48414547,CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN2CCCCCC2,non-carcinogenic
+48414548,CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)C,non-carcinogenic
+48414549,CC1=CC=CC=C1,non-carcinogenic
+48414550,CC1=C(C=C(C=C1)N=C=O)N=C=O,carcinogenic
+48414552,CC1=CC(=CC=C1)N.Cl,carcinogenic
+48414553,CC1=CC=CC=C1N.Cl,carcinogenic
+48414554,CC1=CC=C(C=C1)N.Cl,carcinogenic
+48414555,CC1=CC=C(C=C1)NC(=O)N,carcinogenic
+48414557,C=C1C(C2(C(C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)(CCl)CCl,carcinogenic
+48414561,C1=CC(=CC=C1N)OC2=CC(=C(C=C2)N)N,carcinogenic
+48414562,C1=CC=C(C=C1)C2=NC3=C(N=C2N)N=C(N=C3N)N,carcinogenic
+48414563,C(Br)(Br)Br,non-carcinogenic
+48414564,CCCCOP(=O)(OCCCC)OCCCC,carcinogenic
+48414566,C1=C(C(=C(C(=C1[N+](=O)[O-])Cl)Cl)Cl)[N+](=O)[O-],non-carcinogenic
+48414568,C(=O)(C(Cl)(Cl)Cl)O,carcinogenic
+48414569,C1=C(C=C(C(=C1Cl)N)Cl)Cl,carcinogenic
+48414570,C(C(Cl)Cl)Cl,carcinogenic
+48414571,CC(Cl)(Cl)Cl,non-carcinogenic
+48414572,C(=C(Cl)Cl)Cl,carcinogenic
+48414572,C(=C(Cl)Cl)Cl,carcinogenic
+48414574,C(F)(Cl)(Cl)Cl,non-carcinogenic
+48414575,C1=CC=C2C(=C1)C(=O)N(C2=O)SC(Cl)(Cl)Cl,carcinogenic
+48414576,C1=C(C=C(C(=C1Cl)O)Cl)Cl,carcinogenic
+48414577,CC(C(=O)O)OC1=CC(=C(C=C1Cl)Cl)Cl,non-carcinogenic
+48414578,C1=C(C(=CC(=C1Cl)Cl)Cl)OCC(=O)O,non-carcinogenic
+48414580,C(C(CCl)Cl)Cl,carcinogenic
+48414581,CC1=CC=C(C=C1)OP(=O)(OC2=CC=C(C=C2)C)OC3=CC=C(C=C3)C,non-carcinogenic
+48414582,C(CO)N(CCO)CCO,carcinogenic
+48414584,C1=C(OC(=C1)[N+](=O)[O-])C2=CSC(=N2)NC(=O)C(F)(F)F,carcinogenic
+48414585,CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-],carcinogenic
+48414588,CC1=CC(=C(C=C1C)N)C,carcinogenic
+48414589,CC1=CC(=C(C=C1C)N)C.Cl,carcinogenic
+48414590,CC1=CC(=C(C(=C1)C)N)C.Cl,carcinogenic
+48414593,COP(=O)(OC)OC,carcinogenic
+48414594,CNC(=S)N(C)C,non-carcinogenic
+48414595,CC1=C(C(=C(C(=C1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C)[N+](=O)[O-],carcinogenic
+48414598,CC(=O)O[Sn](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,non-carcinogenic
+48414599,C1=CC=C(C=C1)[Sn](C2=CC=CC=C2)C3=CC=CC=C3.O,non-carcinogenic
+48414600,CC1=CC=C(C=C1)C(=CCN2CCCC2)C3=CC=CC=N3.O.Cl,non-carcinogenic
+48414601,C(CCl)OP(=O)(OCCCl)OCCCl,carcinogenic
+48414602,C(C(COCCl)OCCl)OCCl,carcinogenic
+48414603,C(C(CBr)Br)OP(=O)(OCC(CBr)Br)OCC(CBr)Br,carcinogenic
+48414605,CCCCC(CC)COP(=O)(OCC(CC)CCCC)OCC(CC)CCCC,carcinogenic
+48414608,CC1=C(N=C(C2=C1NC3=CC=CC=C32)C)N.CC(=O)O,carcinogenic
+48414609,CC1=C2C3=CC=CC=C3NC2=CC(=N1)N.CC(=O)O,carcinogenic
+48414611,C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N,non-carcinogenic
+48414614,COC1=C(C=CC(=C1)C=CC(=O)CC(=O)C=CC2=CC(=C(C=C2)O)OC)O,non-carcinogenic
+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-carcinogenic
+48414616,C1=CNC(=O)NC1=O,carcinogenic
+48414618,C(=O)(N)N,non-carcinogenic
+48414619,CCOC(=O)N,carcinogenic
+48414620,[O-]S(=O)(=O)[O-].O=[V+2],non-carcinogenic
+48414521,CN(C)C(=S)SSC(=S)N(C)C,non-carcinogenic
+48414623,CC(=O)OC=C,carcinogenic
+48414625,C=COC(=O)N,carcinogenic
+48414626,C=CCl,carcinogenic
+48414627,C=CF,carcinogenic
+48414628,CC1=CC=CC(=C1)C=C,non-carcinogenic
+48414629,C=CC1CCC=CC1,carcinogenic
+48414630,C=C(Cl)Cl,carcinogenic
+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-carcinogenic
+48414634,C1C(C(C(C(C1(CO)O)O)O)O)NC(CO)CO,non-carcinogenic
+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-carcinogenic
+48414637,CC1=C(C(=CC=C1)OCC(CNC(C)(C)C)O)C.Cl,non-carcinogenic
+48414640,CC1=CC(=CC=C1)C,non-carcinogenic
+48414641,CC1=CC(=C(C=C1)N)C.Cl,carcinogenic
+48414642,CC1=CC(=C(C=C1)C)N.Cl,carcinogenic
+48414643,CC1=CC(=NNC2=CC=C(C=C2)NC(=O)C)C(=O)C=C1,carcinogenic
+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-carcinogenic
+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-carcinogenic
+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-carcinogenic
+48414647,C1=CC=C2C(=C1)C3=C4C(=CC=C5C4=C(C=C3)C(=O)C6=CC=CC=C65)C2=O,carcinogenic
+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-carcinogenic
+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-carcinogenic
+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-carcinogenic
+48414651,C1=CC(=C(C=C1[N+](=O)[O-])OCCO)NCCO,non-carcinogenic
+48414653,CC1CCCC(=O)CCCC=CC2=CC(=CC(=C2C(=O)O1)O)O,carcinogenic
+48414655,CCCCN(CCCC)C(=S)[S-].CCCCN(CCCC)C(=S)[S-].[Zn+2],non-carcinogenic
+48414656,CCN(CC)C(=S)[S-].CCN(CC)C(=S)[S-].[Zn+2],non-carcinogenic
+48414657,CN(C)C(=S)[S-].CN(C)C(=S)[S-].[Zn+2],non-carcinogenic
+48414658,C(CNC(=S)[S-])NC(=S)[S-].[Zn+2],non-carcinogenic
+48414659,[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Zr+4],non-carcinogenic
diff --git a/data/Carcinogenicity-Rat.csv b/data/Carcinogenicity-Rat.csv
index 5bf782e..1004509 100644
--- a/data/Carcinogenicity-Rat.csv
+++ b/data/Carcinogenicity-Rat.csv
@@ -1,1196 +1,1196 @@
SID,SMILES,Carcinogenicity-Rat
-48413129,CC=O,carcinogen
-48413131,CC=NO,non-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
-48413135,CC(=NNC1=NC=C(S1)C2=CC=C(O2)[N+](=O)[O-])C,carcinogen
-48413136,CC#N,non-carcinogen
-48413137,CC(=NO)C,carcinogen
-48413138,CC(=O)OC(C=C)C1=CC2=C(C=C1)OCO2,carcinogen
-48413143,CC(=O)NC1=CC=C(C=C1)C2=CC=CC=C2,carcinogen
-48413144,CC(=O)NC1=CC=CC2=C1CC3=CC=CC=C32,non-carcinogen
-48413145,CC(=O)NC1=CC2=C(C=C1)C3=CC=CC=C3C2,carcinogen
-48413146,CC(=O)NC1=CC=CC2=C1C3=CC=CC=C3C2,non-carcinogen
-48413147,CC(=O)NC1=CC=C(C=C1)CC(=O)O,non-carcinogen
-48413148,CC(=O)NC(CS)C(=O)O,non-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
-48413157,CCC(C)C1C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)OC(C(C(=O)N1)NC(=O)C3=C(C(=O)C(=C4C3=NC5=C(C=CC(=C5O4)C)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)C)N)C)C(C)C)C)C,non-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
-48413161,COC1=C2C3=C(C(CC3)O)C(=O)OC2=C4C5C=COC5OC4=C1,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
-48413167,C1C2C=CC1C3C2C4(C(=C(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl,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
-48413173,C=CCOCC1CO1,non-carcinogen
-48413174,C=CCN=C=S,carcinogen
-48413175,CC(C)CC(=O)OCC=C,carcinogen
-48413176,C=CCN(C(=O)N)N=O,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,non-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
-48413189,C1=CC(=C(C=C1[N+](=O)[O-])N)O,carcinogen
-48413190,C1=CC(=C(C=C1[N+](=O)[O-])O)N,carcinogen
-48413191,C1=CC(=C(C=C1N)[N+](=O)[O-])O,carcinogen
-48413193,C1=C(SC(=N1)N)[N+](=O)[O-],carcinogen
-48413194,C1=CC=C(C=C1)C2C(=O)N=C(O2)N.[OH-].[OH-].[Mg+2],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,carcinogen
-48413197,C(CCC(=O)O)CCN,non-carcinogen
-48413199,C1=CC=C(C=C1)C2=CC=C(C=C2)N.Cl,carcinogen
-48413201,C1CCC(CC1)(CC(=O)O)CN,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
-48413206,C(C(=O)O)C(CC(=O)[O-])(C(=O)[O-])O.[NH4+].[NH4+],non-carcinogen
-48413208,CCC1(C(=O)NC(=O)NC1=O)CCC(C)C,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
-48413216,C1=CC=C(C(=C1)NC2=NC(=NC(=N2)Cl)Cl)Cl,non-carcinogen
-48413217,C1=CC=C(C=C1)N,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
-48413224,CC(COC1=CC=C(C=C1)C(C)(C)C)OS(=O)OCCCl,carcinogen
-48413226,COC1=CC=CC2=C3C(=C(C=C21)[N+](=O)[O-])C(=CC4=C3OCO4)C(=O)[O-].[Na+],carcinogen
-48413227,C1=CC(=CC(=C1)Cl)C2=CC(=CC(=C2)Cl)Cl,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
-48413233,[O-][As]=O.[Na+],non-carcinogen
-48413234,C(C(C1C(=C(C(=O)O1)O)[O-])O)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
-48413246,C1=NN(C(=O)N=C1N)C2C(C(C(O2)CO)O)O,non-carcinogen
-48413247,C(C(C(=O)O)N)OC(=C[N+]#N)[O-],carcinogen
-48413248,CN1C=NC(=C1SC2=NC=NC3=C2NC=N3)[N+](=O)[O-],non-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
-48413255,CC(C)N=[N+](C(C)C)[O-],carcinogen
-48413256,CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)N=[N+]=[N-],carcinogen
-48413257,CCC1(C(=O)NC(=NC1=O)[O-])CC.[Na+],carcinogen
-48413258,C1C(=O)NC(=O)NC1=O,non-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,non-carcinogen
-48413264,C1=CC=CC=C1,carcinogen
-48413267,C1=CC(=CC=C1C2=CC=C(C=C2)N)N,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
-48413273,C1=CC=C(C=C1)C(=O)O,non-carcinogen
-48413274,C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)O,non-carcinogen
-48413277,C1=CC2=NNN=C2C=C1,non-carcinogen
-48413280,CC(=O)OCC1=CC=CC=C1,non-carcinogen
-48413281,C1=CC=C(C=C1)CO,non-carcinogen
-48413282,C1=CC=C(C=C1)CCl,non-carcinogen
-48413283,C1=CC=C(C=C1)CC2=C(C=CC(=C2)Cl)O,non-carcinogen
-48413284,C1=CC=C(C=C1)CN=C=S,non-carcinogen
-48413285,C1=CC=C(C=C1)CSC#N,non-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
-48413292,C1=CC=C(C=C1)C2=CC=CC=C2N.Cl,non-carcinogen
-48413293,C(C(CO)(CBr)CBr)O,carcinogen
-48413295,CCCC[Sn](CCCC)(CCCC)O[Sn](CCCC)(CCCC)CCCC,non-carcinogen
-48413296,CC(CCl)OC(C)CCl,non-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
-48413304,C1=CC(=CC=C1OC2=C(C=C(C=N2)Cl)Cl)OC3=C(C=C(C=N3)Cl)Cl,non-carcinogen
-48413305,C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=C(S3)[N+](=O)[O-])N(CCO)CCO,carcinogen
-48413306,C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=CS3)N(CCO)CCO,non-carcinogen
-48413308,CC(CNCC(C)O)O,non-carcinogen
-48413310,O=[Bi].Cl,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
-48413325,[O-]Br(=O)=O.[K+],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,carcinogen
-48413328,C(Cl)(Cl)Br,carcinogen
-48413329,CCBr,carcinogen
-48413331,C1=CC(=CC=C1C2=CC=C(C=C2)N=NC3=CC(=C(C=C3)[O-])C(=O)[O-])NN=C4C(=O)C=CC(=NNC5=C(C=CC(=C5)S(=O)(=O)[O-])[O-])C4=O.[Na+].[Na+].[Cu+2],carcinogen
-48413332,CCCC1OC2CC3C4CCC5=CC(=O)C=CC5(C4C(CC3(C2(O1)C(=O)CO)C)O)C,carcinogen
-48413333,C=CC=C,carcinogen
-48413334,CCCCOCCO,non-carcinogen
-48413335,CC(C)(C)O,carcinogen
-48413337,CCCCCl,non-carcinogen
-48413341,CCCCN(CCCCO)N=O,carcinogen
-48413342,CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CO,non-carcinogen
-48413343,CC1=CC(=C(C=C1)O)C(C)(C)C,non-carcinogen
-48413344,CCCCN(C(=N[N+](=O)[O-])N)N=O,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,non-carcinogen
-48413352,CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C,non-carcinogen
-48413353,CC(C)(C)C1=CC=C(C=C1)O,non-carcinogen
-48413354,CCCCNC(=O)N,non-carcinogen
-48413355,CC1CC(=O)O1,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
-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
-48413366,CC(=O)[O-].CC(=O)[O-].[Ca+2],non-carcinogen
-48413367,[Cl-].[Cl-].[Ca+2],non-carcinogen
-48413368,CC(C(=O)[O-])O.CC(C(=O)[O-])O.[Ca+2],non-carcinogen
-48413369,CCCC(CCC)C(=O)[O-].CCCC(CCC)C(=O)[O-].[Ca+2],carcinogen
-48413370,CN(C)C(=O)COC(=O)CC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)N=C(N)N.CS(=O)(=O)O,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
-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
-48413378,C1=CC(=CC=C1NC(=O)N)[As](=O)(O)O,non-carcinogen
-48413379,CNC(=O)OC1=CC=CC2=CC=CC=C21,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
-48413390,C1=CC=C(C(=C1)O)O,carcinogen
-48413391,CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F,non-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
-48413395,C(C(Cl)(Cl)Cl)(O)O,non-carcinogen
-48413396,C1=C(C=C(C(=C1N)Cl)C(=O)O)Cl,non-carcinogen
-48413397,C1=CC(=CC=C1CCCC(=O)O)N(CCCl)CCCl,carcinogen
-48413399,C1=CC(=CC=C1C(C(CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-],non-carcinogen
-48413401,C1C2C(C(C1Cl)Cl)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl,non-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,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
-48413411,CC1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)O)C,carcinogen
-48413412,C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])Cl,non-carcinogen
-48413414,CC(=C)CCl,carcinogen
-48413415,C1=CC=C(C(=C1)[N+](=O)[O-])Cl,non-carcinogen
-48413416,C1=CC(=CC=C1[N+](=O)[O-])Cl,non-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,non-carcinogen
-48413423,CC1=C(C=CC(=C1)Cl)N.Cl,non-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
-48413433,C1=CC=C(C=C1)Cl,carcinogen
-48413434,CCOC(=O)C(C1=CC=C(C=C1)Cl)(C2=CC=C(C=C2)Cl)O,non-carcinogen
-48413435,C(Cl)(Br)Br,non-carcinogen
-48413436,C(F)(F)Cl,non-carcinogen
-48413437,CCCl,non-carcinogen
-48413438,C[N+](C)(C)CCCl.[Cl-],non-carcinogen
-48413439,CC(CNC(=O)N(C(C)Cl)N=O)O,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
-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
-48413451,C=CC(=C)Cl,carcinogen
-48413451,C=CC(=C)Cl,carcinogen
-48413455,C(C(F)(F)F)(F)Cl,non-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
-48413462,C[N+](C)(C)CCO.[Cl-],non-carcinogen
-48413463,O=[Cr]O[Cr]=O,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
-48413471,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,non-carcinogen
-48413472,CC1C(OC=C2C1=C(C(=C(C2=O)C(=O)O)O)C)C,carcinogen
-48413473,CC1C=C(C(=O)OC2CC[N+]3(C2(C(=CC3)COC(=O)C1(C)OC(=O)C)[O-])C)C=C,carcinogen
-48413474,CC(C)(C(=O)O)OCC1=CC=C(C=C1)C2=CC=C(C=C2)Cl,non-carcinogen
-48413475,CCOC(=O)C(C)(C)OC1=CC=C(C=C1)Cl,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
-48413478,C1=CC(=CC(=C1)Cl)C2=CC(=CC=C2)Cl,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
-48413481,CNC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC,non-carcinogen
-48413482,CC1=CC2=C(C=C1)C(=NC(=O)N2C(C)C)C3=CC(=CC=C3)O,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,carcinogen
-48413489,CC1=CC(=C(C=C1)OC)N,carcinogen
-48413490,CC=CC=O,carcinogen
-48413491,C1=CC=C(C=C1)N(N=O)[O-].[NH4+],carcinogen
-48413493,CCNC1=NC(=NC(=N1)Cl)NC(C)(C)C#N,carcinogen
-48413494,C(#N)N=C(N)N,non-carcinogen
-48413495,C1CCC(CC1)NS(=O)(=O)[O-].[Na+],non-carcinogen
-48413497,C1=CN2C3C(C(C(O3)CO)O)OC2=NC1=N,non-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
-48413501,C1CCC(CC1)N.Cl,non-carcinogen
-48413502,C1CCC(CC1)N.OS(=O)(=O)O,non-carcinogen
-48413503,C1CCC(=NO)C1,carcinogen
-48413504,COC1=C(C=C(C=C1)C(=O)NC2=C(C=NC=C2Cl)Cl)OC3CCCC3,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
-48413508,C(C(C(=O)O)N)S.Cl,non-carcinogen
-48413509,COC1=CC=C(C=C1)C(=O)C(=CC(=O)[O-])Br.[Na+],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,carcinogen
-48413514,C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)C(Cl)Cl)Cl,non-carcinogen
-48413515,C1=CC(=CC=C1C(=C(Cl)Cl)C2=CC=C(C=C2)Cl)Cl,non-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,carcinogen
-48413517,C1(=C(C(=C(C(=C1Br)Br)Br)Br)Br)OC2=C(C(=C(C(=C2Br)Br)Br)Br)Br,carcinogen
-48413519,CC1=NC2(C(O1)CC3C2(CC(C4C3CCC5=CC(=O)C=CC45C)O)C)C(=O)COC(=O)C,carcinogen
-48413520,CC12CCC3C(C1CCC2=O)CC=C4C3(CCC(C4)O)C,carcinogen
-48413521,CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4=O)C)C,carcinogen
-48413523,CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Br)Br)C,non-carcinogen
-48413525,COC1C(CC2CN3CCC4=C(C3CC2C1C(=O)OC)NC5=CC=CC=C45)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC,non-carcinogen
-48413526,CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C,non-carcinogen
-48413531,CC(=O)N(C1=CC=CC2=C1CC3=CC=CC=C32)C(=O)C,carcinogen
-48413534,C=CCOC(=O)C1=CC=CC=C1C(=O)OCC=C,non-carcinogen
-48413537,C=CCN(CC=C)N=O,carcinogen
-48413538,C1=C(OC(=C1)[N+](=O)[O-])C2=NC(=NC(=N2)N)N,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
-48413543,C1=CC(=C(C=C1N)N)O.Cl.Cl,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
-48413550,C1=CC(=C(C=C1CCN)[N+]#N)[O-].Cl,carcinogen
-48413552,C1=CC=C2C(=C1)OC3=CC=CC=C3O2,non-carcinogen
-48413553,C1=CC=C2C(=C1)C3=C(O2)C=C(C=C3)N,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
-48413561,CCCC[Sn](CCCC)(OC(=O)C)OC(=O)C,non-carcinogen
-48413564,CC(F)(Cl)Cl,carcinogen
-48413569,C1=C(C=C(C(=C1Cl)N)Cl)N,non-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
-48413574,C1=CC(=C(C=C1C2=CC(=C(C=C2)N)Cl)Cl)N,carcinogen
-48413576,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
-48413586,C1=CC(=C(C=C1Cl)Cl)OCC(=O)O,non-carcinogen
-48413592,CC(CCl)Cl,non-carcinogen
-48413593,COP(=O)(OC)OC=C(Cl)Cl,carcinogen
-48413594,[O-][Cr](=O)(=O)O[Cr](=O)(=O)[O-].[Na+].[Na+],carcinogen
-48413595,C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)(C(Cl)(Cl)Cl)O)Cl,non-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,non-carcinogen
-48413599,C12C3C(C4C1C5(C(C3(C4(C5(Cl)Cl)Cl)Cl)Cl)Cl)C6C2O6,non-carcinogen
-48413600,C1C(O1)C2CO2,non-carcinogen
-48413602,CCN(CC)C1=CC=C(C=C1)N=NC2=CC=[N+](C=C2)[O-],carcinogen
-48413603,CCN(CC)C(=O)C1=CC(=CC=C1)C,non-carcinogen
-48413604,CCOP(=S)(OCC)OC1=NC(=C(C=C1Cl)Cl)Cl,non-carcinogen
-48413605,CCN(CC)C(=O)C,carcinogen
-48413606,CCC(CC)C(=O)NC(=O)N,non-carcinogen
-48413607,CCN(CC)CC#CC(C)(C)OC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O.O.Cl,non-carcinogen
-48413608,C(COCCO)O,carcinogen
-48413609,CCN(CC)C=O,non-carcinogen
-48413610,CCOC(=O)C=CC(=O)OCC,non-carcinogen
-48413611,CCC(=C(CC)C1=CC=C(C=C1)O)C2=CC=C(C=C2)O,carcinogen
-48413612,CCNC(=S)NCC,carcinogen
-48413613,C(CC(C(F)F)(C(=O)O)N)CN,non-carcinogen
-48413616,C1C(O1)COC2=CC(=CC=C2)OCC3CO3,carcinogen
-48413617,C1N=C(NC(=O)N1C2C(C(C(O2)CO)O)O)N,non-carcinogen
-48413618,C1=CC=C2C(=C1)C(=O)NC(N2)C3=CC=C(S3)[N+](=O)[O-],carcinogen
-48413619,C1C=CCON1N=O,carcinogen
-48413620,C1CC(=O)OC2=CC=CC=C21,carcinogen
-48413621,CCCC1=CC2=C(C=C1)OCO2,carcinogen
-48413623,CC(CCC(C(C)(C)O)O)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C,non-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
-48413626,CC1(C(=O)NC(=O)O1)C,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
-48413634,COC1=CC(=C2C3=C(CCC3)C(=O)OC2=C1)OC,non-carcinogen
-48413635,COC1=CC(=C2C(=C1)OC(=O)C3=C2C(=O)CC3)OC,non-carcinogen
-48413636,COC1=CC(=C2C3=C(C(=O)CC3)C(=O)OC2=C1)OC,non-carcinogen
-48413637,COC1=C(C2=C(C(=C1)O)C(=O)C3=C(C=C4C(=C3O2)C5C=COC5O4)OC)OC,carcinogen
-48413638,CC(=O)NCCSP(=S)(OC)OC,non-carcinogen
-48413639,CN(C)C1=CC=C(C=C1)N=NC2=CC=CC=C2,carcinogen
-48413640,CN(C(=O)C1=CC=CC=C1C(=O)N(C)N=O)N=O,non-carcinogen
-48413641,CO[P+](=O)OC,carcinogen
-48413642,COP(=O)(C)OC,carcinogen
-48413643,COP(=O)(N1CCOCC1)OC,carcinogen
-48413644,CC1=CC(=NC(=N1)C2=CC=C(O2)[N+](=O)[O-])C,carcinogen
-48413645,CC1=NC=C(N1C)[N+](=O)[O-],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,carcinogen
-48413649,CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2.Cl,non-carcinogen
-48413650,CN(C)CNC1=NN=C(O1)C=CC2=CC=C(O2)[N+](=O)[O-],carcinogen
-48413654,CC[NH2+]C(=O)N(CCN(C)C)N=O.N(=O)[O-],carcinogen
-48413655,CC1=C(C(=CC=C1)C)N,non-carcinogen
-48413656,CN(C)C1=CC=CC=C1,carcinogen
-48413657,C[As](=O)(C)O,carcinogen
-48413658,CC1(C(=O)NC(=O)NC1=O)C,non-carcinogen
-48413660,CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)C)N.Cl.Cl,carcinogen
-48413663,CCCCCCCCCCCC[N+](C)(C)[O-],non-carcinogen
-48413664,CN(C)C=O,non-carcinogen
-48413665,CN(C)N,non-carcinogen
-48413667,CN(C)NC1=NC(=CS1)C2=CC=C(O2)[N+](=O)[O-],carcinogen
-48413668,CN(C)[N+](=O)[O-],carcinogen
-48413669,CNC(=S)NC,non-carcinogen
-48413670,CC(=CCl)C,carcinogen
-48413671,CC(C)(C)C1=CC(=CC(=C1OS(=O)(=O)C)[N+](=O)[O-])[N+](=O)[O-],non-carcinogen
-48413675,CN1C=NC(=C1C(=O)N(C)N=O)N(C)N=O,carcinogen
-48413676,C1CN(CCN(C1)N=O)N=O,carcinogen
-48413677,C1N2CN(CN1CN(C2)N=O)N=O,non-carcinogen
-48413679,CC1=C(C=CC=C1[N+](=O)[O-])[N+](=O)[O-],carcinogen
-48413680,CC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-],non-carcinogen
-48413680,CC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-],non-carcinogen
-48413680,CC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-],non-carcinogen
-48413680,CC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-],non-carcinogen
-48413684,C1COCCO1,carcinogen
-48413685,CCOP(=S)(OCC)SC1C(OCCO1)SP(=S)(OCC)OCC,non-carcinogen
-48413687,CCCCCN(CCCCC)N=O,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
-48413692,C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC=CC=C3,non-carcinogen
-48413693,CCCN(CCC)C1=CC=C(C=C1)N=NC2=CC=[N+](C=C2)[O-],non-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+],non-carcinogen
-48413696,C1=NC(=O)C2=C(N1)N(C=N2)C3C(C(C(O3)COP(=O)([O-])[O-])O)O.[Na+].[Na+],non-carcinogen
-48413697,C(=S)(N)NNC(=S)N,non-carcinogen
-48413698,C(=S)(C(=S)N)N,non-carcinogen
-48413699,CCCCCCCCCCCCC(=O)COC1=C(C(=O)OC1C(CO)O)O,non-carcinogen
-48413701,C1=CC(=C(C=C1CC(C(=O)O)N)O)O,non-carcinogen
-48413702,C1=CC(=C(C=C1CCN)O)O.Cl,non-carcinogen
-48413703,C1=CC=C(C(=C1)C2=NC(C(=O)N(C3=C2C=C(C=C3)Cl)CCO)O)F,non-carcinogen
-48413704,CC(C1=CC=CC=C1)(C2=CC=CC=N2)OCCN(C)C.C(CC(=O)O)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
-48413710,C1=C2C3=C(C(=C1O)O)OC(=O)C4=CC(=C(C(=C43)OC2=O)O)O,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
-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,carcinogen
-48413724,CCC1CO1,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
-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,non-carcinogen
-48413731,CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)O,carcinogen
-48413732,CCC1=NC=CC(=C1)C(=S)N,non-carcinogen
-48413733,CCSCCC(C(=O)O)N,carcinogen
-48413734,CCSCCC(C(=O)O)N,carcinogen
-48413735,CCOC1=CC=C(C=C1)NC(=O)N,carcinogen
-48413737,CCOC1=CC2=C(C=C1)NC(C=C2C)(C)C,non-carcinogen
-48413738,CCOC(=O)C=C,carcinogen
-48413739,CCO,carcinogen
-48413740,CCN=[N+](CC)[O-],carcinogen
-48413741,CC[N+](=NC)[O-],carcinogen
-48413743,CCSCC(C(=O)O)N,non-carcinogen
-48413744,CCC1=CC=C(C=C1)C(C2=CC=C(C=C2)CC)C(Cl)Cl,non-carcinogen
-48413746,CCOC(=O)C1C(O1)(C)C2=CC=CC=C2,non-carcinogen
-48413748,CCN(C(=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
-48413750,CCOC1=C(C(=O)OC1C(CO)O)O,non-carcinogen
-48413751,CCC1=CC=CC=C1,carcinogen
-48413755,C1CO1,carcinogen
-48413756,C1CNC(=S)N1,carcinogen
-48413759,C1CC2C(O2)CC1C3CO3,non-carcinogen
-48413760,CCCCC(CC)CO,non-carcinogen
-48413761,CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC,non-carcinogen
-48413762,CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OCC(CC)CCCC,carcinogen
-48413764,CCN(C(=O)NCCO)N=O,carcinogen
-48413765,CCN(C(=O)NCC(=O)C)N=O,carcinogen
-48413766,CCN(C#N)N=O,carcinogen
-48413767,CCC(C1=CC=CC=C1)C(=O)NC(=O)N,non-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
-48413772,COC1=C(C=CC(=C1)CC=C)O,non-carcinogen
-48413773,C1CC(N2C=NC=C2C1)C3=CC=C(C=C3)C#N.Cl,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
-48413777,[Cl-].[Cl-].[Cl-].[Fe+3],non-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,carcinogen
-48413783,CN(C)C(=O)NC1=CC=CC(=C1)C(F)(F)F,non-carcinogen
-48413784,C1C2=CC=CC=C2C3=C1C=C(C=C3)NC(=O)C(F)(F)F,carcinogen
-48413785,[F-].[Na+],non-carcinogen
-48413787,CC(=O)NC1=CC=C(C=C1)C2=CC=C(C=C2)F,carcinogen
-48413788,C(CF)N(C(=O)N)N=O,carcinogen
-48413789,C1=C(C(=O)NC(=O)N1)F,non-carcinogen
-48413790,CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F.Cl,non-carcinogen
-48413791,CC(C)N1C2=CC=CC=C2C(=C1C=CC(CC(CC(=O)O)O)O)C3=CC=C(C=C3)F,carcinogen
-48413792,C=O,carcinogen
-48413793,C1=COC(=C1)C2=CSC(=N2)NNC=O,non-carcinogen
-48413794,CC1=CSC(=N1)NNC=O,carcinogen
-48413795,C1=C(OC(=C1)[N+](=O)[O-])C2=CSC(=N2)NNC=O,carcinogen
-48413796,C(=O)NNC(=S)N,non-carcinogen
-48413798,CCOP(=O)=O.CCOP(=O)=O.CCOP(=O)=O.[Al+3],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
-48413800,C1=COC(=C1)C=NNC(=O)N,non-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,non-carcinogen
-48413805,CC1=CC2C(C(C1=O)O)(C3(C(C(C(C34CO4)O2)O)OC(=O)C)C)CO,non-carcinogen
-48413806,C1=C(C=C(C(=C1O)O)O)C(=O)O,non-carcinogen
-48413807,CC(C)(CCCCCCC(C)(C)CO)CO,non-carcinogen
-48413808,CC1=CC(=C(C=C1)C)OCCCC(C)(C)C(=O)O,carcinogen
-48413810,CC(=CCCC(=CCOC(=O)C)C)C,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
-48413818,C(CC=O)CC=O,non-carcinogen
-48413819,C(C(CO)O)O,non-carcinogen
-48413819,C(C(CO)O)O,non-carcinogen
-48413821,C(C(CCl)O)O,non-carcinogen
-48413822,C1C(O1)C=O,non-carcinogen
-48413823,C1C(O1)CO,carcinogen
-48413824,C(C(=O)O)N,carcinogen
-48413826,CC1(C2CCC3(C(C2(CCC1O)C)C(=O)C=C4C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C,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+],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+],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
-48413834,C1=C2C(=C(C(=C1Cl)Cl)Cl)OC3=C(C(=C(C=C3O2)Cl)Cl)Cl,carcinogen
-48413835,C1C2=CC(=C(C=C2C3C1(COC4=C3C=CC(=C4O)O)O)O)O,carcinogen
-48413836,C1=CC(C2C1C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl)Cl,non-carcinogen
-48413837,C1CCCNCCC1,non-carcinogen
-48413838,CCCCCCCN,non-carcinogen
-48413839,C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)Cl,carcinogen
-48413840,C(=C(Cl)Cl)(C(=C(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
-48413850,C1N2CN3CN1CN(C2)C3,non-carcinogen
-48413851,C(N(CO)C1=NC(=NC(=N1)N(CO)CO)N(CO)CO)O,carcinogen
-48413852,CN(C)P(=O)(N(C)C)N(C)C,carcinogen
-48413854,CCCCCC(=O)N,non-carcinogen
-48413855,CCCCCC,non-carcinogen
-48413856,CCCCCCOC1=C(C(=C(C(=C1)C)O)C)C,non-carcinogen
-48413857,CCCCCCN(C(=O)N)N=O,carcinogen
-48413858,CCCCCCC1=C(C=C(C=C1)O)O,non-carcinogen
-48413859,C1=C(NC=N1)CC(C(=O)O)N.Cl,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
-48413866,C1=CC=C(C=C1)C2=CSC(=N2)NN,non-carcinogen
-48413869,C1=CC=C(C=C1)NNC2=CC=CC=C2,carcinogen
-48413870,Cl,non-carcinogen
-48413871,C(C(F)(F)F)(Cl)Cl,carcinogen
-48413872,C1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl,non-carcinogen
-48413873,CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)CO)O)C)O,non-carcinogen
-48413875,C1=CC(=CC=C1O)O,carcinogen
-48413877,CC(=O)NC1=C(C=C(C=C1)C2=CC=CC=C2)O,non-carcinogen
-48413878,CC(=O)N(C1=CC2=C(C=C1)C3=CC=CC=C3C2)O,carcinogen
-48413879,C1=CC=C(C=C1)C2=CC(=C(C=C2)N)O,non-carcinogen
-48413881,C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)O,carcinogen
-48413883,C1CN(C(=O)N1CCO)N=CC2=CC=C(O2)[N+](=O)[O-],carcinogen
-48413884,CCNC(=O)N(CCO)N=O,carcinogen
-48413885,C(CO)N(C(=O)N)N=O,carcinogen
-48413886,C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=C(S3)[N+](=O)[O-])NCCO,carcinogen
-48413888,C(CN(C(=O)N)N=O)CO,carcinogen
-48413889,C1=CC2=C(C(=C1)O)N=CC=C2,non-carcinogen
-48413890,C=CC(C1=CC2=C(C=C1)OCO2)O,carcinogen
-48413891,CC(C)CC1=CC=C(C=C1)C(C)C(=O)O,non-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
-48413895,C(C(=O)O)NCC(=O)[O-].[Na+],non-carcinogen
-48413898,CC1(C2=C(C=CC(=C2)C3=NNC(=O)CC3)NC1=O)C,carcinogen
-48413899,CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O,carcinogen
-48413900,CC(C1OCC(O1)CO)I,carcinogen
-48413901,C(C(=O)N)I,non-carcinogen
-48413902,C(I)(I)I,non-carcinogen
-48413903,CCN(CC)CCCNC(=O)CN1C(=C(C=N1)C2=CC=CC=C2)C3=CC=CC=C3.C(=CC(=O)O)C(=O)O,non-carcinogen
-48413904,CN1C2=C(C3=C(C=C2)N=CC=C3)N=C1N,carcinogen
-48413905,CN1C2=C(C3=C(C=C2)N=CC=C3)N=C1N.Cl,carcinogen
-48413906,C1=CC(=C(C=C1Cl)C2=NC(=NC(=N2)N)N)Cl.C(=CC(=O)O)C(=O)O,non-carcinogen
-48413907,CC=C1CC(C(C(=O)OCC2=CC[N+]3(C2C(CC3)OC1=O)[O-])(CO)O)C,carcinogen
-48413908,CC(=C)C,carcinogen
-48413910,CC(C)CON=O,carcinogen
-48413911,CC(C)CN(C(=N[N+](=O)[O-])N)N=O,non-carcinogen
-48413912,CC(C)C=O,non-carcinogen
-48413915,COC1=C(C=CC(=C1)S(=O)C)C2=NC3=C(N2)C=NC=C3,carcinogen
-48413916,C1=CN=CC=C1C(=O)NN,carcinogen
-48413920,CC1=CC(=O)CC(C1)(C)C,carcinogen
-48413921,C1CN(P(=O)(OC1)NCCCl)CCCl,carcinogen
-48413922,CC(=C)C=C,carcinogen
-48413923,CC(C)O,non-carcinogen
-48413925,CC(C)OC(=O)NC1=CC(=CC=C1)Cl,non-carcinogen
-48413929,CCC(C)C1C(CCC2(O1)CC3CC(O2)CC=C(C(C(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)O)OC)OC)C)C,non-carcinogen
-48413930,CC1CC=CC=CC(C(CC(C(C(C(CC(=O)O1)OC(=O)C)OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)OC(=O)CC(C)C)(C)O)N(C)C)O)CC=O)C)O,non-carcinogen
-48413931,C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O,non-carcinogen
-48413932,C1=C(C=C(C=C1Cl)Cl)C2=CC(=CC(=C2)Cl)Cl,non-carcinogen
-48413933,C1(=O)C2(C3(C4(C1(C5(C2(C3(C(C45Cl)(Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl,carcinogen
-48413934,CC(C1=CC=CC(=C1)C(=O)C2=CC=CC=C2)C(=O)O,non-carcinogen
-48413936,CC=C(C)C(=O)OC1CCN2C1C(=CC2)COC(=O)C(C(C)OC)(C(C)(C)O)O,carcinogen
-48413937,CC(=O)[O-].CC(=O)[O-].[Pb+2],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
-48413941,CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O.Cl,non-carcinogen
-48413942,CC1=CCC(CC1)C(=C)C,carcinogen
-48413943,CC(CCC(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C,non-carcinogen
-48413945,CC(C1=NCCN1)OC2=C(C=CC=C2Cl)Cl.Cl,non-carcinogen
-48413946,C1=CC=C2C(=C1)C(=NN2CC3=C(C=C(C=C3)Cl)Cl)C(=O)O,non-carcinogen
-48413947,CN1C(=C(C2=C(S1(=O)=O)C=C(S2)Cl)O)C(=O)NC3=CC=CC=N3,non-carcinogen
-48413948,CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)C,non-carcinogen
-48413949,CN1C(=NC(=N1)CO)NCCCOC2=CC=CC(=C2)CN3CCCCC3,carcinogen
-48413950,CC1=NC=C(C=C1)CC2=CN=C(NC2=O)NCCSCC3=CC=C(O3)CN(C)C.Cl.Cl.Cl,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],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
-48413962,C(CCl)NCC(C(C(C(CNCCCl)O)O)O)O,non-carcinogen
-48413963,CC1=C(N=C2C(=C1)C3=CC=CC=C3N2)[NH3+].CC(=O)[O-],carcinogen
-48413965,CC1=CN=C2C=CC3=C(C2=N1)N=C(N3C)N,carcinogen
-48413966,C1(=NC(=NC(=N1)N)N)N,carcinogen
-48413967,CC1=CN=C(S1)NC(=O)C2=C(C3=CC=CC=C3S(=O)(=O)N2C)O,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
-48413970,CCN(CC)CCOC1=CC=C(C=C1)C(CC2=CC=C(C=C2)OC)(C3=CC=CC=C3)O,non-carcinogen
-48413971,C1=CC=C2C(=C1)NC(=S)S2,carcinogen
-48413973,C(CS(=O)(=O)[O-])S.[Na+],non-carcinogen
-48413974,C1=NC2=C(N1)C(=S)N=CN2,non-carcinogen
-48413975,[Cl-].[Cl-].[Hg+2],carcinogen
-48413977,C[Hg]Cl,non-carcinogen
-48413979,CC1CN1P(=O)(N2CC2C)N3CC3C,carcinogen
-48413980,CC(=C)C#N,non-carcinogen
-48413981,CN(C)CCN(CC1=CC=CO1)C2=CC=CC=N2,non-carcinogen
-48413982,CN(C)CCN(CC1=CC=CS1)C2=CC=CC=C2,non-carcinogen
-48413983,CN(C)CCN(CC1=CC=CS1)C2=CC=CC=N2.Cl,carcinogen
-48413985,CN1C=CNC1=S,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
-48413990,COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)N,carcinogen
-48413991,COC1=CC=CC(=C1O)O,carcinogen
-48413992,COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)C(Cl)(Cl)Cl,non-carcinogen
-48413993,COC1=CC=C(C=C1)O,carcinogen
-48413995,COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2,carcinogen
-48413996,CCN=[N+](C)[O-],carcinogen
-48413997,CBr,non-carcinogen
-48413998,CC(C)(C)OC,carcinogen
-48413999,COC(=O)N,carcinogen
-48414000,COC(=O)NN,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
-48414004,CC1=CC(=CC=C1)N=NC2=CC=C(C=C2)N(C)C,carcinogen
-48414005,CN(C1=CC=C(C=C1)N=O)N=O,carcinogen
-48414008,CCCCCC(C=CC=CCCCCCCCC(=O)OC)OO,non-carcinogen
-48414009,CCCCCC=CCC=CCCCCCCCC(=O)OC,non-carcinogen
-48414010,CC(=C)C(=O)OC,non-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
-48414014,CC1CN(C(=O)N1)N=CC2=CC=C(O2)[N+](=O)[O-],carcinogen
-48414015,CN(C1=CC=C(C=C1)C=CC2=CC=NC3=CC=CC=C23)N=O,carcinogen
-48414016,CN(C(=O)C1=CC=CC=C1)N=O,carcinogen
-48414017,CN(C(=O)NCCCC(C(=O)O)N)N=O,carcinogen
-48414018,CC1CCCCN1N=O,carcinogen
-48414019,CC1CCCCN1N=O,carcinogen
-48414021,COP(=S)(OC)OC1=CC=C(C=C1)[N+](=O)[O-],non-carcinogen
-48414022,CN1CCCC1=O,non-carcinogen
-48414025,CC(C1=CC=CC=C1)O,carcinogen
-48414027,CC1=CC(=C(C=C1)O)O,carcinogen
-48414028,CC1=C2CCC3=C2C(=CC4=C3C=CC5=CC=CC=C54)C=C1,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
-48414030,CC(C)C(=O)OC1=C(C=C(C=C1)CCNC)OC(=O)C(C)C.Cl,non-carcinogen
-48414031,C1=CC(=C(C=C1CC2=CC(=C(C=C2)N)Cl)Cl)N,carcinogen
-48414032,C1=CC(=C(C=C1CC2=CC(=C(C=C2)N)Cl)Cl)N.Cl.Cl,non-carcinogen
-48414033,CC1=C(C=CC(=C1)CC2=CC(=C(C=C2)N)C)N,carcinogen
-48414034,C(Cl)Cl,carcinogen
-48414035,CN(C)C1=CC=C(C=C1)CC2=CC=C(C=C2)N(C)C,carcinogen
-48414036,CC1=CC(=C(C(=C1)C(C)(C)C)O)CC2=C(C(=CC(=C2)C)C(C)(C)C)O,non-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
-48414040,CN=C(N)N,non-carcinogen
-48414041,CN1C=NC2=C1C(=O)N=C(N2)N,non-carcinogen
-48414044,CC1=C(C=CC(=C1)O)O,non-carcinogen
-48414045,CC1=NC=CN1,carcinogen
-48414048,CN[N+](=O)[O-],carcinogen
-48414049,CN(CCCC(C1=CN=CC=C1)O)N=O,carcinogen
-48414050,CN(CCCC(=O)C1=CN=CC=C1)N=O,carcinogen
-48414053,CN(C#N)N=O,carcinogen
-48414054,C=CC(=O)NCO,non-carcinogen
-48414055,COC(=O)C(C1CCCCN1)C2=CC=CC=C2.Cl,non-carcinogen
-48414056,CC1=CC2=C(C=C1)N=CC=C2,non-carcinogen
-48414057,CC1=CC=CC2=C1N=CC=C2,non-carcinogen
-48414060,CC1=CC2=C(C=C1)SC3=CC=CC=C3N=C2N4CCN(CC4)C,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
-48414066,C12C3(C4(C5(C3(C(C1(C5(C2(C4(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
-48414068,CC1=C(C(=O)C2=C(C1=O)N3CC4C(C3(C2COC(=O)N)OC)N4)N,carcinogen
-48414069,O=[Mo](=O)=O,non-carcinogen
-48414071,C(C(=O)O)Cl,non-carcinogen
-48414072,CC1C(=O)OC2CCN3C2C(=CC3)COC(=O)C(C1(C)O)(C)O,carcinogen
-48414073,C[As](=O)(O)O,non-carcinogen
-48414074,CNC(=O)C1=C(N=CN1C)N(C)N=O,carcinogen
-48414075,C(C(C(=O)[O-])N)C(=O)O.[Na+],non-carcinogen
-48414077,C(CC(=O)O)C(C(=O)[O-])N.[Na+],non-carcinogen
-48414078,C(CC(=O)[O-])C(=O)O.[Na+],non-carcinogen
-48414079,C1COCCN1C2=NC(=NC3=CC=CC=C32)C4=CC=C(S4)[N+](=O)[O-],carcinogen
-48414080,C1COCCN1CC2CN(C(=O)O2)N=CC3=CC=C(O3)[N+](=O)[O-].Cl,carcinogen
-48414081,CS(=O)(=O)OCCCCOS(=O)(=O)C,non-carcinogen
-48414082,CC(C)(C(=O)O)OC1=CC=C(C=C1)C2CCCC3=CC=CC=C23,carcinogen
-48414083,CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)O,carcinogen
-48414084,C1=CC=C2C=CC=CC2=C1,carcinogen
-48414087,C1=CC2=C(C=CC=C2N)C(=C1)N,carcinogen
-48414088,C1=CC=C2C(=C1)C=CC=C2NCCN.Cl.Cl,non-carcinogen
-48414092,C1=CC=C2C=C(C=CC2=C1)N,carcinogen
-48414094,CC1=C(C(=CC=C1)C)NC(=O)CN2CCCC2=O,non-carcinogen
-48414096,[Ni],non-carcinogen
-48414099,O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[Ni+2],non-carcinogen
-48414101,CN1CCCC1C2=CN=CC=C2,non-carcinogen
-48414107,CCNC(=O)NC1=NC=C(S1)[N+](=O)[O-],carcinogen
-48414108,[N+](=O)([O-])[O-].[Na+],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+],carcinogen
-48414112,N(=O)[O-].[Na+],carcinogen
-48414113,CCOC1=C(C=C(C=C1)NC(=O)C)[N+](=O)[O-],non-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
-48414116,C1=C(OC(=C1)[N+](=O)[O-])C(=NO)N,non-carcinogen
-48414117,CC(=O)OC(C1=CC=C(O1)[N+](=O)[O-])OC(=O)C,non-carcinogen
-48414118,C1=CC2=NC=C(N2C=C1)C3=CC=C(O3)[N+](=O)[O-],carcinogen
-48414119,C1=C(OC(=C1)[N+](=O)[O-])C2=NNC(=O)O2,carcinogen
-48414120,CC(=O)NCC1=NC(=NO1)C2=CC=C(O2)[N+](=O)[O-],carcinogen
-48414121,CC(=O)NC1=NN=C(S1)C2=CC=C(O2)[N+](=O)[O-],carcinogen
-48414122,C1=C(OC(=C1)[N+](=O)[O-])C2=CSC=N2,carcinogen
-48414123,CC(=O)NC1=NC(=CS1)C2=CC=C(O2)[N+](=O)[O-],carcinogen
-48414124,C1=C(OC(=C1)[N+](=O)[O-])C2=CSC(=N2)NC=O,carcinogen
-48414125,CC(=O)NC1=NC(=NC(=N1)C2=CC=C(O2)[N+](=O)[O-])NC(=O)C,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,non-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,non-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,non-carcinogen
-48414137,C1=CC(=CC=C1C(=O)O)[N+](=O)[O-],carcinogen
-48414138,CCCC[N+](=O)[O-],non-carcinogen
-48414139,CCC(C)[N+](=O)[O-],carcinogen
-48414140,CC[N+](=O)[O-],non-carcinogen
-48414141,C1=CC(=CC=C1[N+](=O)[O-])OC2=C(C=C(C=C2)Cl)Cl,carcinogen
-48414142,C1C2=CC=CC=C2C3=C1C=C(C=C3)[N+](=O)[O-],carcinogen
-48414143,C1C(=O)NC(=O)N1N=CC2=CC=C(O2)[N+](=O)[O-],carcinogen
-48414144,C1CN(C(=O)N1)N=CC2=CC=C(O2)[N+](=O)[O-],carcinogen
-48414145,N(=O)[O],non-carcinogen
-48414146,CN(CCCl)CCCl,carcinogen
-48414147,C[N+](CCCl)(CCCl)[O-],carcinogen
-48414148,C[N+](=O)[O-],carcinogen
-48414149,C1=CC=C2C(=C1)C=CC=C2[N+](=O)[O-],non-carcinogen
-48414150,CCC(CC)[N+](=O)[O-],carcinogen
-48414151,CCC[N+](=O)[O-],non-carcinogen
-48414152,CC(C)[N+](=O)[O-],non-carcinogen
-48414153,C(C[N+](=O)[O-])C(=O)O,non-carcinogen
-48414154,C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)[N+](=O)[O-],carcinogen
-48414155,C1=CC2=C(C=CC(=C2)[N+](=O)[O-])N=C1,non-carcinogen
-48414156,C1=CC2=C(C(=C1)[N+](=O)[O-])N=CC=C2,carcinogen
-48414157,CC(C)OC1=CC=CC=C1OC(=O)N(C)N=O,carcinogen
-48414158,C(CC(F)(F)F)CN(CCCC(F)(F)F)N=O,carcinogen
-48414159,CC1CN(C(=O)NC1=O)N=O,non-carcinogen
-48414160,C1CN(C(=O)NC1=O)N=O,carcinogen
-48414161,CC(CN(CC(CO)O)N=O)O,carcinogen
-48414162,CC(=O)CN(CC(CO)O)N=O,carcinogen
-48414163,C(CO)N(CC(CO)O)N=O,carcinogen
-48414164,CC1CN(CC(N1C(=O)C2=CC=CC=C2)C)N=O,carcinogen
-48414165,C(CCl)NC(=O)N(CCO)N=O,carcinogen
-48414166,C1COC(CN1N=O)O,non-carcinogen
-48414167,CC(CN(C(=O)NCCCl)N=O)O,carcinogen
-48414168,CC(CN(CCO)N=O)O,carcinogen
-48414169,C1CN(CC1O)N=O,carcinogen
-48414170,CC(C)CN(C(=O)N)N=O,carcinogen
-48414171,CCCCCCCCCCCCN(C)N=O,carcinogen
-48414172,CN(C1=CC=C(C=C1)F)N=O,carcinogen
-48414173,CN(C1=CC=C(C=C1)[N+](=O)[O-])N=O,non-carcinogen
-48414174,CN(CCC1=CC=CC=C1)N=O,carcinogen
-48414175,CCCCCCCCCCCCCCN(C)N=O,carcinogen
-48414176,CCCCCCCCCCN(C)N=O,carcinogen
-48414177,CN(C(=O)N)N=O,carcinogen
-48414178,C1COC(=O)N1N=O,carcinogen
-48414179,CC(=O)CN(CCO)N=O,carcinogen
-48414180,C1CN(CN(C1)N=O)N=O,carcinogen
-48414181,C1CN(CC=C1)N=O,carcinogen
-48414182,CCN(CC(F)(F)F)N=O,carcinogen
-48414183,CC1=CC(N(C2=CC=CC=C12)N=O)(C)C,carcinogen
-48414184,CC1CN(CC(N1C)C)N=O,carcinogen
-48414185,C=CCN(CC(CO)O)N=O,carcinogen
-48414186,CC(CN(CC=C)N=O)O,carcinogen
-48414187,CC(=O)CN(CC=C)N=O,carcinogen
-48414188,C=CCN(CCO)N=O,carcinogen
-48414189,CCCCCN(C(=O)OCC)N=O,carcinogen
-48414190,C1CCN(C(C1)C2=CN=CC=C2)N=O,carcinogen
-48414191,CN(C(=O)NC1=NC2=CC=CC=C2S1)N=O,carcinogen
-48414192,CC(CN(CC(C)O)N=O)O,carcinogen
-48414193,CC(=O)CN(CC(=O)C)N=O,carcinogen
-48414194,C(C(F)(F)F)N(CC(F)(F)F)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
-48414198,C(CO)N(CCO)N=O,carcinogen
-48414199,CCN(CC)N=O,carcinogen
-48414200,CN(C)N=O,carcinogen
-48414201,C1=CC=C(C=C1)N(C2=CC=CC=C2)N=O,carcinogen
-48414202,C1=CC=C(C=C1)NC2=CC=C(C=C2)N=O,carcinogen
-48414203,CCCN(CCC)N=O,carcinogen
-48414204,C1N(CSCS1)N=O,non-carcinogen
-48414205,C1CCCCCCN(CCCCC1)N=O,carcinogen
-48414206,CC(C(C1=CC=CC=C1)O)N(C)N=O,carcinogen
-48414207,CCN(C)N=O,carcinogen
-48414208,CCN(C(=O)OCC)N=O,carcinogen
-48414209,COC(=O)C1=CCCN(C1)N=O,non-carcinogen
-48414210,C1CCCN(CCC1)N=O,carcinogen
-48414212,C1C(=O)NC(=O)N1N=O,carcinogen
-48414213,C1C(CN(C1C(=O)O)N=O)O,non-carcinogen
-48414214,C(C(=O)O)N(CC(=O)O)N=O,non-carcinogen
-48414215,CN(CCCC(=O)O)N=O,carcinogen
-48414216,CN(CC(CO)O)N=O,carcinogen
-48414217,CN(CCO)N=O,carcinogen
-48414218,CN(CCCO)N=O,carcinogen
-48414219,CC(CN(C)N=O)O,carcinogen
-48414220,CC(=O)CN(C)N=O,carcinogen
-48414221,CC1=CC=C(C=C1)S(=O)(=O)OCCN(C)N=O,carcinogen
-48414222,CN(C1=CC=CC=N1)N=O,carcinogen
-48414223,CN(C1=CN=CC=C1)N=O,non-carcinogen
-48414224,CN(C1=CC=NC=C1)N=O,non-carcinogen
-48414225,CN(C1=CC=CC=C1)N=O,carcinogen
-48414227,CCCCCCCCCCCN(C)N=O,carcinogen
-48414228,C1COCCN1N=O,carcinogen
-48414229,C1CC(N(C1)N=O)C2=CN=CC=C2,carcinogen
-48414230,C1CC(N(C1)N=O)C2=C[N+](=CC=C2)[O-],carcinogen
-48414231,C1CCN(C(C1)C(=O)O)N=O,non-carcinogen
-48414232,C1CN(CCN1)N=O,carcinogen
-48414233,C1CCN(CC1)N=O,carcinogen
-48414234,C1CC(N(C1)N=O)C(=O)O,non-carcinogen
-48414235,C1CCN(C1)N=O,carcinogen
-48414236,CC1N(C(SC(S1)C)C)N=O,carcinogen
-48414237,C1CSCCN1N=O,carcinogen
-48414238,CC1=CC=CC=C1N=O,carcinogen
-48414239,CC1=CC=CC=C1[N+](=O)[O-],carcinogen
-48414240,CC1=CC=C(C=C1)[N+](=O)[O-],carcinogen
-48414245,C1=CC=C2C(=C1)C3=C(N2)C=NC=C3,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
-48414252,CCCCCCCCC=CCCCCCCCC(=O)[O-].[Na+],non-carcinogen
-48414254,CC1=C(SSC1=S)C2=NC=CN=C2,non-carcinogen
-48414255,CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC,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+],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
-48414258,C1=C(NC(=O)NC1=O)C(=O)[O-].[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
-48414260,CNCC1=CC=C(O1)CSCCNC(=NCC(C2=CC=C(C=C2)O)O)NS(=O)(=O)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,non-carcinogen
-48414264,CC(=O)NC1=CC2=C(C=C1)C3=CC=CC=C3C2=O,carcinogen
-48414265,CCN1C=C(C(=O)C2=CC3=C(C=C21)OCO3)C(=O)O,carcinogen
-48414266,CC(=O)CN(C(=O)NCCCl)N=O,non-carcinogen
-48414267,CC(=O)CN(C(=O)N)N=O,non-carcinogen
-48414268,C=CC(=O)C1=CC2=C(C=C1)OCO2,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
-48414271,C1COCCN1C(=S)SN2CCOCC2,carcinogen
-48414273,CC12CCC3C(C1CCC2(C)O)CCC4C3(CC(=CO)C(=O)C4)C,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,non-carcinogen
-48414276,CC1=C(C(C(=C(N1)C)C(=O)OCC(C)(C)CN(C)CC2=CC=CC=C2)C3=C(C=CC(=C3)[N+](=O)[O-])F)C(=O)OC.Cl,non-carcinogen
-48414277,CCOP(=S)(OCC)OC1=CC=C(C=C1)[N+](=O)[O-],non-carcinogen
-48414278,C1C=C2C(=CC(=O)O2)C(O1)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,non-carcinogen
-48414282,C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)[N+](=O)[O-],non-carcinogen
-48414283,C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)O,carcinogen
-48414283,C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)O,carcinogen
-48414283,C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)O,carcinogen
-48414286,C(C(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-])O[N+](=O)[O-],non-carcinogen
-48414288,CCCCCN(C(=N[N+](=O)[O-])N)N=O,non-carcinogen
-48414291,C1CCC(CC1)C(CC2CCCCN2)C3CCCCC3.C(=CC(=O)O)C(=O)O,non-carcinogen
-48414292,CC1CC2(C(O2)C)C(=O)OC3CCN(CC=C(C3=O)COC(=O)C1(C)O)C,carcinogen
-48414293,CCOC1=CC=C(C=C1)NC(=O)C,carcinogen
-48414294,CC1=CC(=O)N(N1C)C2=CC=CC=C2,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
-48414297,C1=CC=C(C=C1)CCN=C=S,non-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,non-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
-48414304,CC(COC1=CC=CC=C1)N(CCCl)CC2=CC=CC=C2.Cl,carcinogen
-48414305,CN(C)N=NC1=CC=CC=C1,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,carcinogen
-48414314,CCCCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3,carcinogen
-48414316,C1=CC(=CC=C1N)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
-48414321,COC1=C(C=CC(=C1)C=CC(=O)OCCC2=CC=CC=C2)O,non-carcinogen
-48414323,C1C(O1)COC2=CC=CC=C2,carcinogen
-48414324,C1=CC=C(C=C1)CCCCCCN=C=S,non-carcinogen
-48414329,C1=CC=C(C=C1)C2=CC=CC=C2O,carcinogen
-48414331,C1=CC=C(C=C1)C2=CC=CC=C2[O-].[Na+],carcinogen
-48414332,C1=CC=C(C=C1)CCCN=C=S,non-carcinogen
-48414333,CN1C2=C(N=CC(=C2)C3=CC=CC=C3)N=C1N.Cl,carcinogen
-48414336,P,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
-48414341,CCC1C(COC1=O)CC2=CN=CN2C,non-carcinogen
-48414342,CC1CC=CC=CC=CC=CC(CC2C(C(CC(O2)(CC(CC3C(O3)C=CC(=O)O1)O)O)O)C(=O)O)OC4C(C(C(C(O4)C)O)N)O,non-carcinogen
-48414343,C1CNCCN1,non-carcinogen
-48414344,C1CCNCC1,non-carcinogen
-48414345,CCCCOCCOCCOCC1=CC2=C(C=C1CCC)OCO2,carcinogen
-48414347,CCCCCCCCS(=O)C(C)CC1=CC2=C(C=C1)OCO2,non-carcinogen
-48414348,CC1CCCC(N1CCCC(C2=CC=CC=C2)(C3=CC=CC=N3)O)C.Cl,non-carcinogen
-48414349,CN1C(=C(C2=CC=CC=C2S1(=O)=O)O)C(=O)NC3=CC=CC=N3,non-carcinogen
-48414350,CC1(COC1=O)C,carcinogen
-48414352,C1=C(C(=CC(=C1Br)Br)Br)C2=CC(=C(C=C2Br)Br)Br,carcinogen
-48414353,C1=CC(=C(C(=C1C2=CC(=C(C(=C2)Br)Br)Br)Br)Br)Br,non-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
-48414358,C(=O)(O)[O-].[K+],carcinogen
-48414359,[Cl-].[K+],non-carcinogen
-48414360,[K+].[I-],carcinogen
-48414361,CC(C)NCC(COC1=CC=C(C=C1)NC(=O)C)O,non-carcinogen
-48414362,C1=CC=C(C=C1)CCCCOC2=CC=C(C=C2)C(=O)NC3=CC=CC4=C3OC(=CC4=O)C5=NNN=N5.C1=CC=C(C=C1)CCCCOC2=CC=C(C=C2)C(=O)NC3=CC=CC4=C3OC(=CC4=O)C5=NNN=N5.O,non-carcinogen
-48414363,C1CC1CN2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4,non-carcinogen
-48414364,C1CCC(CC1)C(=O)N2CC3C4=CC=CC=C4CCN3C(=O)C2,non-carcinogen
-48414365,CC12CC(C3C(C1CCC2(C(=O)COC(=O)CCCC4=CC=C(C=C4)N(CCCl)CCCl)O)CCC5=CC(=O)C=CC35C)O,carcinogen
-48414366,CC12CC(C3C(C1CCC2(C(=O)CO)O)CCC4=CC(=O)C=CC34C)O,carcinogen
-48414368,CC12CCC3C(=CCC4=C3C=CC(=C4)OS(=O)(=O)[O-])C1CCC2=O.[Na+],non-carcinogen
-48414370,CCC1(C(=O)NCNC1=O)C2=CC=CC=C2,non-carcinogen
-48414371,CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)O,non-carcinogen
-48414372,CC(C)NC(=O)C1=CC=C(C=C1)CNNC,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
-48414378,C1COS(=O)(=O)C1,carcinogen
-48414380,C1COC1=O,carcinogen
-48414381,CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O.Cl,non-carcinogen
-48414384,CCCOC(=O)C1=CC(=C(C(=C1)O)O)O,non-carcinogen
-48414386,CCCN(C(=N[N+](=O)[O-])N)N=O,carcinogen
-48414387,CCCN(C(=O)N)N=O,carcinogen
-48414388,CC=C,non-carcinogen
-48414389,CC(CO)O,non-carcinogen
-48414390,CC(COC(C)(C)C)O,non-carcinogen
-48414391,CC1CO1,carcinogen
-48414393,CCCC1=CC(=O)NC(=S)N1,carcinogen
-48414395,CCNNC(=O)C1C(C(C2=CC3=C(C=C2C1C4=CC(=C(C(=C4)OC)OC)OC)OCO3)O)CO,non-carcinogen
-48414396,C1=CC(=C(C=C1C(=O)O)O)O,non-carcinogen
-48414397,C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])NN=C3C(=O)C=CC4=CC(=CC(=C43)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+],carcinogen
-48414398,C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3O)O)O,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,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,carcinogen
-48414404,C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)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,carcinogen
-48414408,CN1C=C(C2=CC=CC=C21)C(=O)C3CCC4=C(C3)NC=N4.Cl,non-carcinogen
-48414409,CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)N=NC3=C(C=C(C=C3)C4=CC(=C(C=C4)NN=C5C(=O)C=CC6=CC(=CC(=C65)S(=O)(=O)[O-])S(=O)(=O)[O-])C)C.[Na+].[Na+],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],carcinogen
-48414415,C1=CC=C2C(=C1)C=CC(=C2S(=O)(=O)[O-])NN=C3C(=O)C=CC4=CC=CC=C43.[Na+],non-carcinogen
-48414416,CC1=CC(=C(C=C1C)NN=C2C3=C(C=C(C=C3)S(=O)(=O)[O-])C=C(C2=O)S(=O)(=O)[O-])C.[Na+].[Na+],carcinogen
-48414417,C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])NN=C3C4=C(C=C(C=C4)S(=O)(=O)[O-])C=C(C3=O)S(=O)(=O)[O-].[Na+].[Na+].[Na+],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+],carcinogen
-48414420,CCN(CC)C1=C(C=C2C(=C1)OC3=CC(=[N+](CC)CC)C(=CC3=C2C4=C(C=C(C=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])C)C.[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
-48414425,CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCOC(=O)C)C)C,carcinogen
-48414426,CCCCCCCCCCCCCCCC(=O)OCC=C(C)C=CC=C(C)C=CC1=C(CCCC1(C)C)C,non-carcinogen
-48414427,CC=C1CC(C(C(=O)OCC2=CCN3C2C(CC3)OC1=O)(CO)O)C,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,non-carcinogen
-48414431,CCN1C2=C(C(=N1)C)NC(=O)CN=C2C3=CC=CC=C3,non-carcinogen
-48414432,CC1=CC(=C(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N)C=CC1=N.Cl,non-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
-48414435,CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O.OS(=O)(=O)O,non-carcinogen
-48414436,CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O,non-carcinogen
-48414437,C1=CC=C2C(=C1)C(=O)NS2(=O)=O,non-carcinogen
-48414438,C1=CC=C2C(=C1)C(=NS2(=O)=O)[O-].C1=CC=C2C(=C1)C(=NS2(=O)=O)[O-].[Ca+2],non-carcinogen
-48414439,C1=CC=C2C(=C1)C(=O)[N-]S2(=O)=O.[Na+],carcinogen
-48414440,C=CCC1=CC2=C(C=C1)OCO2,carcinogen
-48414441,CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O,carcinogen
-48414442,C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NN=C3C=CC(=O)C(=C3)C(=O)O,carcinogen
-48414444,CN1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4.O.O.O.Br,non-carcinogen
-48414450,S=[Se],carcinogen
-48414451,CC=C1CC(C(C(=O)OCC2=CCN(CCC(C2=O)OC1=O)C)(C)O)C,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
-48414455,C(=O)(O)[O-].[Na+],non-carcinogen
-48414457,[Na+].[Cl-],non-carcinogen
-48414458,[O-]Cl=O.[Na+],non-carcinogen
-48414459,CCC1=C(C2=CC3=NC(=CC4=NC(=C(C5=NC(=C(C5=C([O-])[O-])C)C=C1[N-]2)CC(=O)[O-])C(C4C)CCC(=O)[O-])C(=C3C=C)C)C.[Na+].[Na+].[Na+].[Cu+2],non-carcinogen
-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
-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
-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
-48414481,CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)N,non-carcinogen
-48414483,C1C=CCS1(=O)=O,non-carcinogen
-48414484,CC(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C,carcinogen
-48414485,CC1=C(C2=C(C1=CC3=CC=C(C=C3)S(=O)(=O)C)C=CC(=C2)F)CC(=O)O,non-carcinogen
-48414486,CCCCC1(C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)COC(=O)CCC(=O)O,non-carcinogen
-48414487,CC=C(C)C(=O)OC1CCN2C1C(=CC2)COC(=O)C(C(C)C)(C(C)O)O,carcinogen
-48414489,COC1=CC=C(C=C1)C(=C(C2=CC=C(C=C2)OC)Cl)C3=CC=C(C=C3)OC,non-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
-48414494,C(CS(=O)(=O)O)N,non-carcinogen
-48414495,C1CC(OC1)N2C=C(C(=O)NC2=O)F,non-carcinogen
-48414497,C(C=CCl)Cl,carcinogen
-48414497,C(C=CCl)Cl,carcinogen
-48414500,CC(C)(C)NCC(C1=CC(=CC(=C1)O)O)O,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
-48414506,C(C(Cl)(Cl)Cl)Cl,non-carcinogen
-48414507,C(C(Cl)Cl)(Cl)Cl,non-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
-48414512,C1(=C(C(=C(C(=C1F)F)F)N)F)N.Cl.Cl,non-carcinogen
-48414513,C(C(F)(F)F)F,carcinogen
-48414514,C(=C(F)F)(F)F,carcinogen
-48414515,C1CCON(C1)N=O,carcinogen
-48414516,CCCCCC1=CC2=C(C3C=C(CCC3C(O2)(C)C)C)C(=C1)O,non-carcinogen
-48414517,C1CCOC1,carcinogen
-48414518,C1CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O,non-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
-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
-48414532,C(#N)[S-].[Na+],non-carcinogen
-48414533,C1=CC(=CC=C1N)SC2=CC=C(C=C2)N,carcinogen
-48414534,C1C(C(OC1N2C=NC3=C2NC(=NC3=S)N)CO)O,carcinogen
-48414535,C(=S)(N)NN,non-carcinogen
-48414536,C1=CNC(=S)NC1=O,carcinogen
-48414537,C(=S)(N)N,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
-48414543,C1C=CC=[C-]1.C1C=CC=[C-]1.[Cl-].[Cl-].[Ti+4],non-carcinogen
-48414544,CC1=C(C(=C2CCC(OC2=C1C)(C)CCCC(C)CCCC(C)CCCC(C)C)C)O,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
-48414551,CC1=CC=CC=C1S(=O)(=O)N,carcinogen
-48414552,CC1=CC(=CC=C1)N.Cl,non-carcinogen
-48414553,CC1=CC=CC=C1N.Cl,carcinogen
-48414554,CC1=CC=C(C=C1)N.Cl,non-carcinogen
-48414555,CC1=CC=C(C=C1)NC(=O)N,non-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,non-carcinogen
-48414559,C1CN1C2=CC(=O)C(=C(C2=O)N3CC3)N4CC4,carcinogen
-48414560,CC1(OC2CC3C4CCC5=CC(=O)C=CC5(C4(C(CC3(C2(O1)C(=O)CO)C)O)F)C)C,carcinogen
-48414562,C1=CC=C(C=C1)C2=NC3=C(N=C2N)N=C(N=C3N)N,non-carcinogen
-48414563,C(Br)(Br)Br,carcinogen
-48414564,CCCCOP(=O)(OCCCC)OCCCC,carcinogen
-48414565,CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)OC(=O)CCCCCCC,carcinogen
-48414567,C(C(F)(Cl)Cl)(F)(F)Cl,non-carcinogen
-48414568,C(=O)(C(Cl)(Cl)Cl)O,non-carcinogen
-48414569,C1=C(C=C(C(=C1Cl)N)Cl)Cl,non-carcinogen
-48414570,C(C(Cl)Cl)Cl,non-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,non-carcinogen
-48414576,C1=C(C=C(C(=C1Cl)O)Cl)Cl,carcinogen
-48414578,C1=C(C(=CC(=C1Cl)Cl)Cl)OCC(=O)O,non-carcinogen
-48414579,COP(=O)(C(C(Cl)(Cl)Cl)O)OC,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,non-carcinogen
-48414583,C(COCCOCCO)O,non-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-],non-carcinogen
-48414586,CC1(C(=O)N(C(=O)O1)C)C,non-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
-48414591,C[As](=O)(C)C,carcinogen
-48414592,CC1=CC(=C(C=C1)C)C,carcinogen
-48414593,COP(=O)(OC)OC,non-carcinogen
-48414594,CNC(=S)N(C)C,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
-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
-48414605,CCCCC(CC)COP(=O)(OCC(CC)CCCC)OCC(CC)CCCC,non-carcinogen
-48414606,CC(CN(CC(C)O)CC(C)O)O,non-carcinogen
-48414607,CCCCCCCCCCCCCCCC(=O)CC(=O)CCCCCCCCCCCCCCC,non-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
-48414610,C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N,non-carcinogen
-48414611,C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N,non-carcinogen
-48414612,[O-][W](=O)(=O)[O-].[Na+].[Na+],non-carcinogen
-48414613,COC1=C(C=CC(=C1)C=CC(=O)CC(=O)C=CC2=CC(=C(C=C2)O)OC)O,non-carcinogen
-48414613,COC1=C(C=CC(=C1)C=CC(=O)CC(=O)C=CC2=CC(=C(C=C2)O)OC)O,non-carcinogen
-48414616,C1=CNC(=O)NC1=O,carcinogen
-48414617,CN1C(=CC(=O)N(C1=O)C)NCCCN2CCN(CC2)C3=CC=CC=C3OC,non-carcinogen
-48414618,C(=O)(N)N,non-carcinogen
-48414619,CCOC(=O)N,carcinogen
-48414620,[O-]S(=O)(=O)[O-].O=[V+2],non-carcinogen
-48414622,CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O,non-carcinogen
-48414623,CC(=O)OC=C,carcinogen
-48414624,C=CBr,carcinogen
-48414626,C=CCl,carcinogen
-48414627,C=CF,carcinogen
-48414628,CC1=CC=CC(=C1)C=C,non-carcinogen
-48414630,C=C(Cl)Cl,non-carcinogen
-48414631,C=C(F)F,non-carcinogen
-48414632,C=CN1CCCC1=O,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+],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
-48414638,CC1=C(C(=CC=C1)C)NC2=NCCCS2.Cl,non-carcinogen
-48414639,CC1=CC(=CC=C1)C,carcinogen
-48414639,CC1=CC(=CC=C1)C,carcinogen
-48414641,CC1=CC(=C(C=C1)N)C.Cl,non-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,non-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
-48414651,C1=CC(=C(C=C1[N+](=O)[O-])OCCO)NCCO,non-carcinogen
-48414652,CC1(CC2=C(O1)C(=CC(=C2)Cl)C(=O)NC3CC4CCC(C3)N4C)C.C(=CC(=O)O)C(=O)O,non-carcinogen
-48414653,CC1CCCC(=O)CCCC=CC2=CC(=CC(=C2C(=O)O1)O)O,non-carcinogen
-48414654,CC(=O)[O-].CC(=O)[O-].O.O.[Zn+2],non-carcinogen
-48414657,CN(C)C(=S)[S-].CN(C)C(=S)[S-].[Zn+2],carcinogen
-48414658,C(CNC(=S)[S-])NC(=S)[S-].[Zn+2],carcinogen
+48413129,CC=O,carcinogenic
+48413131,CC=NO,non-carcinogenic
+48413132,CC(=O)N,carcinogenic
+48413133,CC(=O)NC1=CC=C(C=C1)O,carcinogenic
+48413134,CC(=O)C1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2CCCCC2,non-carcinogenic
+48413135,CC(=NNC1=NC=C(S1)C2=CC=C(O2)[N+](=O)[O-])C,carcinogenic
+48413136,CC#N,non-carcinogenic
+48413137,CC(=NO)C,carcinogenic
+48413138,CC(=O)OC(C=C)C1=CC2=C(C=C1)OCO2,carcinogenic
+48413143,CC(=O)NC1=CC=C(C=C1)C2=CC=CC=C2,carcinogenic
+48413144,CC(=O)NC1=CC=CC2=C1CC3=CC=CC=C32,non-carcinogenic
+48413145,CC(=O)NC1=CC2=C(C=C1)C3=CC=CC=C3C2,carcinogenic
+48413146,CC(=O)NC1=CC=CC2=C1C3=CC=CC=C3C2,non-carcinogenic
+48413147,CC(=O)NC1=CC=C(C=C1)CC(=O)O,non-carcinogenic
+48413148,CC(=O)NC(CS)C(=O)O,non-carcinogenic
+48413150,C=CC=O,non-carcinogenic
+48413151,CCOC(C=C)OCC,non-carcinogenic
+48413152,C=CC=NO,non-carcinogenic
+48413153,CC1(C=CC2=C3C(=C(C=C2O1)OC)C(=O)C4=CC=CC=C4N3C)C,carcinogenic
+48413154,C=CC(=O)N,carcinogenic
+48413155,C=CC(=O)O,non-carcinogenic
+48413156,C=CC#N,carcinogenic
+48413157,CCC(C)C1C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)OC(C(C(=O)N1)NC(=O)C3=C(C(=O)C(=C4C3=NC5=C(C=CC(=C5O4)C)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)C)N)C)C(C)C)C)C,non-carcinogenic
+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,carcinogenic
+48413159,C(CCC(=O)N)CC(=O)N,non-carcinogenic
+48413160,C1=COC(=C1)C(=CC2=CC=C(O2)[N+](=O)[O-])C(=O)N,carcinogenic
+48413161,COC1=C2C3=C(C(CC3)O)C(=O)OC2=C4C5C=COC5OC4=C1,carcinogenic
+48413162,COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4C5C=COC5OC4=C1,carcinogenic
+48413163,COC1=C2C3=C(C(=O)OCC3)C(=O)OC2=C4C5C=COC5OC4=C1,carcinogenic
+48413165,C=CCOC1=C(C=C(C=C1)CC(=O)O)Cl,non-carcinogenic
+48413166,CC(C)(C=NOC(=O)NC)SC,non-carcinogenic
+48413167,C1C2C=CC1C3C2C4(C(=C(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl,non-carcinogenic
+48413168,CCCCCCCCCCC(C)C1=CC=C(C=C1)S(=O)(=O)[O-].[Na+],non-carcinogenic
+48413169,CCCCCCCCCC[N+](C)(C)[O-],non-carcinogenic
+48413170,C1(C(=O)NC(=O)N1)NC(=O)N,non-carcinogenic
+48413171,C=CCO,non-carcinogenic
+48413173,C=CCOCC1CO1,non-carcinogenic
+48413174,C=CCN=C=S,carcinogenic
+48413175,CC(C)CC(=O)OCC=C,carcinogenic
+48413176,C=CCN(C(=O)N)N=O,carcinogenic
+48413178,[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3].[K+],non-carcinogenic
+48413179,C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3Br)Br)N,carcinogenic
+48413180,CCOC1=C(C=C(C=C1)NC(=O)C)N,non-carcinogenic
+48413181,CCN1C2=C(C=C(C=C2)N)C3=CC=CC=C31.Cl,carcinogenic
+48413182,CCN1C2=C(C=C(C=C2)N)C3=CC=CC=C31,carcinogenic
+48413183,C1=C(N=C(S1)N=C(N)N)CSCCNC2=NSN=C2N,carcinogenic
+48413184,CC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)N,carcinogenic
+48413185,C1=C(OC(=C1)[N+](=O)[O-])C2=NN=C(O2)N,carcinogenic
+48413186,C1=C(OC(=C1)[N+](=O)[O-])C2=NN=C(S2)N,carcinogenic
+48413187,C1=C(OC(=C1)[N+](=O)[O-])C2=CSC(=N2)N,carcinogenic
+48413189,C1=CC(=C(C=C1[N+](=O)[O-])N)O,carcinogenic
+48413190,C1=CC(=C(C=C1[N+](=O)[O-])O)N,carcinogenic
+48413191,C1=CC(=C(C=C1N)[N+](=O)[O-])O,carcinogenic
+48413193,C1=C(SC(=N1)N)[N+](=O)[O-],carcinogenic
+48413194,C1=CC=C(C=C1)C2C(=O)N=C(O2)N.[OH-].[OH-].[Mg+2],non-carcinogenic
+48413195,C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)N,carcinogenic
+48413196,CC1=CC=CC=C1N=NC2=CC(=C(C=C2)N)C,carcinogenic
+48413197,C(CCC(=O)O)CCN,non-carcinogenic
+48413199,C1=CC=C(C=C1)C2=CC=C(C=C2)N.Cl,carcinogenic
+48413201,C1CCC(CC1)(CC(=O)O)CN,carcinogenic
+48413202,C1=CC(=CC=C1N)N(CCO)CCO.OS(=O)(=O)O,non-carcinogenic
+48413203,C1=NNC(=N1)N,carcinogenic
+48413204,C(CCCCCN)CCCCC(=O)O,carcinogenic
+48413206,C(C(=O)O)C(CC(=O)[O-])(C(=O)[O-])O.[NH4+].[NH4+],non-carcinogenic
+48413208,CCC1(C(=O)NC(=O)NC1=O)CCC(C)C,non-carcinogenic
+48413209,CC(CC1=CC=CC=C1)N.CC(CC1=CC=CC=C1)N.OS(=O)(=O)O,non-carcinogenic
+48413210,CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)C.O.O.O,non-carcinogenic
+48413211,CCCCCN(C(=O)N)N=O,carcinogenic
+48413214,CC=CC1=CC=C(C=C1)OC,non-carcinogenic
+48413216,C1=CC=C(C(=C1)NC2=NC(=NC(=N2)Cl)Cl)Cl,non-carcinogenic
+48413217,C1=CC=C(C=C1)N,non-carcinogenic
+48413218,C1=CC=C(C=C1)N.Cl,carcinogenic
+48413219,COC1=CC=CC=C1N.Cl,carcinogenic
+48413220,COC1=CC=C(C=C1)N.Cl,non-carcinogenic
+48413221,C1=CC=C(C(=C1)C(=O)O)N,non-carcinogenic
+48413224,CC(COC1=CC=C(C=C1)C(C)(C)C)OS(=O)OCCCl,carcinogenic
+48413226,COC1=CC=CC2=C3C(=C(C=C21)[N+](=O)[O-])C(=CC4=C3OCO4)C(=O)[O-].[Na+],carcinogenic
+48413227,C1=CC(=CC(=C1)Cl)C2=CC(=CC(=C2)Cl)Cl,carcinogenic
+48413228,C1=CC(=C(C(=C1)Cl)Cl)C2=C(C=C(C=C2)Cl)Cl,carcinogenic
+48413229,C1=CC(=C(C(=C1)Cl)Cl)C2=C(C(=C(C=C2)Cl)Cl)Cl,carcinogenic
+48413230,C1=CC(=C(C(=C1C2=C(C(=C(C=C2)Cl)Cl)Cl)Cl)Cl)Cl,carcinogenic
+48413231,O[As](=O)(O)[O-].[Na+],non-carcinogenic
+48413233,[O-][As]=O.[Na+],non-carcinogenic
+48413234,C(C(C1C(=C(C(=O)O1)O)[O-])O)O.[Na+],non-carcinogenic
+48413235,C(C(C1C(=C(C(=O)O1)O)O)O)O,non-carcinogenic
+48413236,COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)O)N,non-carcinogenic
+48413237,CC(=O)OC1=CC=CC=C1C(=O)O,non-carcinogenic
+48413239,COC1=CC=C(C=C1)CCN2CCC(CC2)NC3=NC4=CC=CC=C4N3CC5=CC=C(C=C5)F,non-carcinogenic
+48413240,CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O.Cl,non-carcinogenic
+48413241,CCNC1=NC(=NC(=N1)Cl)NC(C)C,carcinogenic
+48413242,CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3,non-carcinogenic
+48413243,CN(C)C1=CC=C(C=C1)C(=N)C2=CC=C(C=C2)N(C)C.Cl,carcinogenic
+48413245,C1=NC(=NC(=O)N1C2C(C(C(O2)CO)O)O)N,carcinogenic
+48413246,C1=NN(C(=O)N=C1N)C2C(C(C(O2)CO)O)O,non-carcinogenic
+48413247,C(C(C(=O)O)N)OC(=C[N+]#N)[O-],carcinogenic
+48413248,CN1C=NC(=C1SC2=NC=NC3=C2NC=N3)[N+](=O)[O-],non-carcinogenic
+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-carcinogenic
+48413250,[N-]=[N+]=[N-].[Na+],non-carcinogenic
+48413251,COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2N=N1,non-carcinogenic
+48413252,C1=CC=C(C=C1)N=NC2=CC=CC=C2,carcinogenic
+48413253,CN=[N+](C)[O-],carcinogenic
+48413254,CCCN=[N+](CCC)[O-],carcinogenic
+48413255,CC(C)N=[N+](C(C)C)[O-],carcinogenic
+48413256,CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)N=[N+]=[N-],carcinogenic
+48413257,CCC1(C(=O)NC(=NC1=O)[O-])CC.[Na+],carcinogenic
+48413258,C1C(=O)NC(=O)NC1=O,non-carcinogenic
+48413259,CC(=O)[O-].CC(=O)[O-].[Ba+2],non-carcinogenic
+48413260,O.O.[Cl-].[Cl-].[Ba+2],non-carcinogenic
+48413261,CCOCCC1=C(N=C(N2C1=NC=N2)N)C3=CC=CC=C3,carcinogenic
+48413262,C1=CC(=CC=C1C(=O)O)NN=C2C=CC(=O)C(=C2)C(=O)O,non-carcinogenic
+48413263,C1=CC=C(C=C1)C=O,non-carcinogenic
+48413264,C1=CC=CC=C1,carcinogenic
+48413267,C1=CC(=CC=C1C2=CC=C(C=C2)N)N,carcinogenic
+48413269,C1=CC=C2C3=C4C(=CC2=C1)C=CC5=C4C(=CC=C5)C=C3,carcinogenic
+48413270,C1=CC=C(C=C1)C(=O)[O-].[Na+],non-carcinogenic
+48413271,C1=CC=C2C(=C1)C=CO2,carcinogenic
+48413272,C1=CC=C(C=C1)C2=NC(=NC(=N2)N)N,non-carcinogenic
+48413273,C1=CC=C(C=C1)C(=O)O,non-carcinogenic
+48413274,C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)O,non-carcinogenic
+48413277,C1=CC2=NNN=C2C=C1,non-carcinogenic
+48413280,CC(=O)OCC1=CC=CC=C1,non-carcinogenic
+48413281,C1=CC=C(C=C1)CO,non-carcinogenic
+48413282,C1=CC=C(C=C1)CCl,non-carcinogenic
+48413283,C1=CC=C(C=C1)CC2=C(C=CC(=C2)Cl)O,non-carcinogenic
+48413284,C1=CC=C(C=C1)CN=C=S,non-carcinogenic
+48413285,C1=CC=C(C=C1)CSC#N,non-carcinogenic
+48413287,C1=CC=C(C=C1)C[N+]2=NOC(=C2CC(=O)N)[O-],carcinogenic
+48413288,[Be+2].[O-]S(=O)(=O)[O-],non-carcinogenic
+48413292,C1=CC=C(C=C1)C2=CC=CC=C2N.Cl,non-carcinogenic
+48413293,C(C(CO)(CBr)CBr)O,carcinogenic
+48413295,CCCC[Sn](CCCC)(CCCC)O[Sn](CCCC)(CCCC)CCCC,non-carcinogenic
+48413296,CC(CCl)OC(C)CCl,non-carcinogenic
+48413302,C(OCCl)Cl,carcinogenic
+48413303,C(C(CBr)Br)OP(=O)([O-])OCC(CBr)Br.C(C(CBr)Br)OP(=O)([O-])OCC(CBr)Br.[Mg+2],carcinogenic
+48413304,C1=CC(=CC=C1OC2=C(C=C(C=N2)Cl)Cl)OC3=C(C=C(C=N3)Cl)Cl,non-carcinogenic
+48413305,C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=C(S3)[N+](=O)[O-])N(CCO)CCO,carcinogenic
+48413306,C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=CS3)N(CCO)CCO,non-carcinogenic
+48413308,CC(CNCC(C)O)O,non-carcinogenic
+48413310,O=[Bi].Cl,non-carcinogenic
+48413311,CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O,non-carcinogenic
+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-carcinogenic
+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+],carcinogenic
+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+],carcinogenic
+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+],carcinogenic
+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],carcinogenic
+48413317,C1=CC(=C2C(=C1N)C(=O)C3=C(C=CC(=C3C2=O)N)N)N,carcinogenic
+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-carcinogenic
+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-carcinogenic
+48413320,CNC1=C(C=C(C=C1)N(CCO)CCO)[N+](=O)[O-],carcinogenic
+48413322,C1=CC(=C(C=C1N(CCO)CCO)[N+](=O)[O-])NCCO,non-carcinogenic
+48413325,[O-]Br(=O)=O.[K+],carcinogenic
+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,carcinogenic
+48413328,C(Cl)(Cl)Br,carcinogenic
+48413329,CCBr,carcinogenic
+48413331,C1=CC(=CC=C1C2=CC=C(C=C2)N=NC3=CC(=C(C=C3)[O-])C(=O)[O-])NN=C4C(=O)C=CC(=NNC5=C(C=CC(=C5)S(=O)(=O)[O-])[O-])C4=O.[Na+].[Na+].[Cu+2],carcinogenic
+48413332,CCCC1OC2CC3C4CCC5=CC(=O)C=CC5(C4C(CC3(C2(O1)C(=O)CO)C)O)C,carcinogenic
+48413333,C=CC=C,carcinogenic
+48413334,CCCCOCCO,non-carcinogenic
+48413335,CC(C)(C)O,carcinogenic
+48413337,CCCCCl,non-carcinogenic
+48413341,CCCCN(CCCCO)N=O,carcinogenic
+48413342,CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CO,non-carcinogenic
+48413343,CC1=CC(=C(C=C1)O)C(C)(C)C,non-carcinogenic
+48413344,CCCCN(C(=N[N+](=O)[O-])N)N=O,non-carcinogenic
+48413345,CCCCN(C(=O)N)N=O,carcinogenic
+48413346,CC(C)(C)C1=C(C=CC(=C1)OC)O,carcinogenic
+48413347,CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C,non-carcinogenic
+48413352,CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C,non-carcinogenic
+48413353,CC(C)(C)C1=CC=C(C=C1)O,non-carcinogenic
+48413354,CCCCNC(=O)N,non-carcinogenic
+48413355,CC1CC(=O)O1,carcinogenic
+48413356,C1CC(=O)OC1,non-carcinogenic
+48413357,CC(=O)[O-].CC(=O)[O-].[Cd+2],non-carcinogenic
+48413358,[Cl-].[Cl-].[Cd+2],carcinogenic
+48413359,O.[Cl-].[Cl-].[Cd+2],non-carcinogenic
+48413361,[O-]S(=O)(=O)[O-].[Cd+2],carcinogenic
+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-carcinogenic
+48413363,C1=CC(=C(C=C1C=CC(=O)O)O)O,carcinogenic
+48413364,CN1C=NC2=C1C(=O)N(C(=O)N2C)C,non-carcinogenic
+48413366,CC(=O)[O-].CC(=O)[O-].[Ca+2],non-carcinogenic
+48413367,[Cl-].[Cl-].[Ca+2],non-carcinogenic
+48413368,CC(C(=O)[O-])O.CC(C(=O)[O-])O.[Ca+2],non-carcinogenic
+48413369,CCCC(CCC)C(=O)[O-].CCCC(CCC)C(=O)[O-].[Ca+2],carcinogenic
+48413370,CN(C)C(=O)COC(=O)CC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)N=C(N)N.CS(=O)(=O)O,non-carcinogenic
+48413371,CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)OC(C)OC(=O)OC6CCCCC6,non-carcinogenic
+48413372,C1CCC(=O)NCC1,non-carcinogenic
+48413374,C1C=CCC2C1C(=O)N(C2=O)SC(C(Cl)Cl)(Cl)Cl,carcinogenic
+48413375,C1C=CCC2C1C(=O)N(C2=O)SC(Cl)(Cl)Cl,carcinogenic
+48413378,C1=CC(=CC=C1NC(=O)N)[As](=O)(O)O,non-carcinogenic
+48413379,CNC(=O)OC1=CC=CC2=CC=CC=C21,carcinogenic
+48413382,C(Cl)(Cl)(Cl)Cl,carcinogenic
+48413383,C(C(=O)O)N(C(=O)N)N=O,carcinogenic
+48413384,CCC(CC)(C(=O)NC(=O)N)Br,non-carcinogenic
+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-carcinogenic
+48413390,C1=CC=C(C(=C1)O)O,carcinogenic
+48413391,CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F,non-carcinogenic
+48413392,CCN(CC)C(=O)NC1=CC(=C(C=C1)OCC(CNC(C)(C)C)O)C(=O)C,non-carcinogenic
+48413393,CC1OC2(CN3CCC2CC3)CS1.CC1OC2(CN3CCC2CC3)CS1.O.Cl.Cl,non-carcinogenic
+48413395,C(C(Cl)(Cl)Cl)(O)O,non-carcinogenic
+48413396,C1=C(C=C(C(=C1N)Cl)C(=O)O)Cl,non-carcinogenic
+48413397,C1=CC(=CC=C1CCCC(=O)O)N(CCCl)CCCl,carcinogenic
+48413399,C1=CC(=CC=C1C(C(CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-],non-carcinogenic
+48413401,C1C2C(C(C1Cl)Cl)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl,non-carcinogenic
+48413402,C1(C(C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)C(=O)O)C(=O)O,carcinogenic
+48413403,CCC(CCC(C(CC(C(C(CCl)Cl)Cl)Cl)Cl)Cl)Cl,carcinogenic
+48413404,CCCC(CCC(CCC(CCC(CCC(CCC(CCC(C)Cl)Cl)Cl)Cl)Cl)Cl)Cl,non-carcinogenic
+48413407,ClCl,non-carcinogenic
+48413409,C1=CC(=CC=C1N)OC2=CC=C(C=C2)Cl,carcinogenic
+48413410,C1(C(=C(C(=O)O1)Cl)C(Cl)Cl)O,carcinogenic
+48413411,CC1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)O)C,carcinogenic
+48413412,C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])Cl,non-carcinogenic
+48413414,CC(=C)CCl,carcinogenic
+48413415,C1=CC=C(C(=C1)[N+](=O)[O-])Cl,non-carcinogenic
+48413416,C1=CC(=CC=C1[N+](=O)[O-])Cl,non-carcinogenic
+48413417,C1=CC(=C(C=C1N)N)Cl,carcinogenic
+48413418,C1=CC(=C(C=C1Cl)N)N,carcinogenic
+48413419,C1=CC(=C(C=C1N)Cl)N.OS(=O)(=O)O,non-carcinogenic
+48413420,CC(CCl)O,non-carcinogenic
+48413421,CC1=C(C=C(C=C1)N)Cl,non-carcinogenic
+48413422,CC1=C(C=C(C=C1)Cl)N,non-carcinogenic
+48413423,CC1=C(C=CC(=C1)Cl)N.Cl,non-carcinogenic
+48413424,C(C(F)(F)F)Cl,carcinogenic
+48413425,CC1=C(C(=CC=C1)NC2=CC(=NC(=N2)SCC(=O)O)Cl)C,carcinogenic
+48413426,CC1=C(C(=CC=C1)NC2=CC(=NC(=N2)SCC(=O)NCCO)Cl)C,carcinogenic
+48413428,C1=CC=C(C=C1)C(=O)CCl,non-carcinogenic
+48413429,CC(=O)NC1=CC=C(C=C1)C(=O)CCl,non-carcinogenic
+48413430,C1=CC(=CC=C1N)Cl,non-carcinogenic
+48413431,C1=CC(=CC=C1N)Cl.Cl,carcinogenic
+48413432,C1=CC=C(C(=C1)C=C(C#N)C#N)Cl,non-carcinogenic
+48413433,C1=CC=C(C=C1)Cl,carcinogenic
+48413434,CCOC(=O)C(C1=CC=C(C=C1)Cl)(C2=CC=C(C=C2)Cl)O,non-carcinogenic
+48413435,C(Cl)(Br)Br,non-carcinogenic
+48413436,C(F)(F)Cl,non-carcinogenic
+48413437,CCCl,non-carcinogenic
+48413438,C[N+](C)(C)CCCl.[Cl-],non-carcinogenic
+48413439,CC(CNC(=O)N(C(C)Cl)N=O)O,carcinogenic
+48413440,C(F)Cl,carcinogenic
+48413441,C(Cl)(Cl)Cl,carcinogenic
+48413442,COCCl,carcinogenic
+48413443,C1=CC=NC(=C1)CCl.Cl,non-carcinogenic
+48413444,C1=CC(=CN=C1)CCl.Cl,carcinogenic
+48413446,CN(C)C(=O)NC1=CC=C(C=C1)Cl,carcinogenic
+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-carcinogenic
+48413448,C#CC(C1=CC=CC=C1)(C2=CC=C(C=C2)Cl)OC(=O)N,carcinogenic
+48413449,C1=CC(=CC=C1SC2=CC(=C(C=C2Cl)Cl)Cl)Cl,non-carcinogenic
+48413451,C=CC(=C)Cl,carcinogenic
+48413451,C=CC(=C)Cl,carcinogenic
+48413455,C(C(F)(F)F)(F)Cl,non-carcinogenic
+48413456,C(#N)C1=C(C(=C(C(=C1Cl)Cl)Cl)C#N)Cl,carcinogenic
+48413457,C(CCl)N(C(=O)NC1C(C(C(OC1O)CO)O)O)N=O,carcinogenic
+48413458,C[NH+](C)CCC(C1=CC=C(C=C1)Cl)C2=CC=CC=N2.C(=CC(=O)[O-])C(=O)O,non-carcinogenic
+48413459,CCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)Cl,non-carcinogenic
+48413462,C[N+](C)(C)CCO.[Cl-],non-carcinogenic
+48413463,O=[Cr]O[Cr]=O,non-carcinogenic
+48413464,CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Cr+3],non-carcinogenic
+48413465,C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC=C3O,carcinogenic
+48413466,CC1=C(N=CN1)CSCCNC(=NC)NC#N,non-carcinogenic
+48413467,C1=CC=C(C=C1)C=CC=O,non-carcinogenic
+48413468,C1=CC=C(C=C1)C=CCOC(=O)C2=CC=CC=C2N,carcinogenic
+48413469,CC(C)(C(=O)O)OC1=CC=C(C=C1)C2CC2(Cl)Cl,carcinogenic
+48413470,CC(=CCCC(=CC=O)C)C,non-carcinogenic
+48413471,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,non-carcinogenic
+48413472,CC1C(OC=C2C1=C(C(=C(C2=O)C(=O)O)O)C)C,carcinogenic
+48413473,CC1C=C(C(=O)OC2CC[N+]3(C2(C(=CC3)COC(=O)C1(C)OC(=O)C)[O-])C)C=C,carcinogenic
+48413474,CC(C)(C(=O)O)OCC1=CC=C(C=C1)C2=CC=C(C=C2)Cl,non-carcinogenic
+48413475,CCOC(=O)C(C)(C)OC1=CC=C(C=C1)Cl,carcinogenic
+48413477,C1=CC(=C(C=C1[N+](=O)[O-])Cl)NC(=O)C2=C(C=CC(=C2)Cl)O.C(CO)N,non-carcinogenic
+48413478,C1=CC(=CC(=C1)Cl)C2=CC(=CC=C2)Cl,carcinogenic
+48413479,O.O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[Co+2],carcinogenic
+48413480,CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O,non-carcinogenic
+48413481,CNC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC,non-carcinogenic
+48413482,CC1=CC2=C(C=C1)C(=NC(=O)N2C(C)C)C3=CC(=CC=C3)O,non-carcinogenic
+48413486,CCOP(=S)(OCC)OC1=CC2=C(C=C1)C(=C(C(=O)O2)Cl)C,non-carcinogenic
+48413487,C1=CC=C2C(=C1)C=CC(=O)O2,carcinogenic
+48413488,CC1=C(C=CC(=C1)OC)N,carcinogenic
+48413489,CC1=CC(=C(C=C1)OC)N,carcinogenic
+48413490,CC=CC=O,carcinogenic
+48413491,C1=CC=C(C=C1)N(N=O)[O-].[NH4+],carcinogenic
+48413493,CCNC1=NC(=NC(=N1)Cl)NC(C)(C)C#N,carcinogenic
+48413494,C(#N)N=C(N)N,non-carcinogenic
+48413495,C1CCC(CC1)NS(=O)(=O)[O-].[Na+],non-carcinogenic
+48413497,C1=CN2C3C(C(C(O3)CO)O)OC2=NC1=N,non-carcinogenic
+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-carcinogenic
+48413499,C1CCC(=O)CC1,non-carcinogenic
+48413501,C1CCC(CC1)N.Cl,non-carcinogenic
+48413502,C1CCC(CC1)N.OS(=O)(=O)O,non-carcinogenic
+48413503,C1CCC(=NO)C1,carcinogenic
+48413504,COC1=C(C=C(C=C1)C(=O)NC2=C(C=NC=C2Cl)Cl)OC3CCCC3,carcinogenic
+48413505,C1CNP(=O)(OC1)N(CCCl)CCCl,carcinogenic
+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-carcinogenic
+48413508,C(C(C(=O)O)N)S.Cl,non-carcinogenic
+48413509,COC1=CC=C(C=C1)C(=O)C(=CC(=O)[O-])Br.[Na+],carcinogenic
+48413510,CN(C)NN=C1C(=NC=N1)C(=O)N,carcinogenic
+48413511,CN(C)NC(=O)CCC(=O)O,carcinogenic
+48413512,C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)N,carcinogenic
+48413514,C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)C(Cl)Cl)Cl,non-carcinogenic
+48413515,C1=CC(=CC=C1C(=C(Cl)Cl)C2=CC=C(C=C2)Cl)Cl,non-carcinogenic
+48413516,C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)C(Cl)(Cl)Cl)Cl,carcinogenic
+48413517,C1(=C(C(=C(C(=C1Br)Br)Br)Br)Br)OC2=C(C(=C(C(=C2Br)Br)Br)Br)Br,carcinogenic
+48413517,C1(=C(C(=C(C(=C1Br)Br)Br)Br)Br)OC2=C(C(=C(C(=C2Br)Br)Br)Br)Br,carcinogenic
+48413519,CC1=NC2(C(O1)CC3C2(CC(C4C3CCC5=CC(=O)C=CC45C)O)C)C(=O)COC(=O)C,carcinogenic
+48413520,CC12CCC3C(C1CCC2=O)CC=C4C3(CCC(C4)O)C,carcinogenic
+48413521,CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4=O)C)C,carcinogenic
+48413523,CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Br)Br)C,non-carcinogenic
+48413525,COC1C(CC2CN3CCC4=C(C3CC2C1C(=O)OC)NC5=CC=CC=C45)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC,non-carcinogenic
+48413526,CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C,non-carcinogenic
+48413531,CC(=O)N(C1=CC=CC2=C1CC3=CC=CC=C32)C(=O)C,carcinogenic
+48413534,C=CCOC(=O)C1=CC=CC=C1C(=O)OCC=C,non-carcinogenic
+48413537,C=CCN(CC=C)N=O,carcinogenic
+48413538,C1=C(OC(=C1)[N+](=O)[O-])C2=NC(=NC(=N2)N)N,carcinogenic
+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-carcinogenic
+48413540,COC1=C(C=C(C=C1)N)N.OS(=O)(=O)O,carcinogenic
+48413543,C1=CC(=C(C=C1N)N)O.Cl.Cl,non-carcinogenic
+48413544,CC1=C(C=C(C=C1)N)N,carcinogenic
+48413545,CC1=C(C=C(C=C1)N)N.Cl.Cl,carcinogenic
+48413546,CC1=C(C=CC=C1N)N.Cl.Cl,non-carcinogenic
+48413547,CC1=C(C=CC(=C1)N)N.OS(=O)(=O)O,non-carcinogenic
+48413548,CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3,non-carcinogenic
+48413549,CCOP(=S)(OCC)OC1=NC(=NC(=C1)C)C(C)C,non-carcinogenic
+48413550,C1=CC(=C(C=C1CCN)[N+]#N)[O-].Cl,carcinogenic
+48413552,C1=CC=C2C(=C1)OC3=CC=CC=C3O2,non-carcinogenic
+48413553,C1=CC=C2C(=C1)C3=C(O2)C=C(C=C3)N,carcinogenic
+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-carcinogenic
+48413555,C(C(CBr)Br)Cl,carcinogenic
+48413556,C(C(C(C(C(CBr)O)O)O)O)Br,carcinogenic
+48413557,C(CBr)Br,carcinogenic
+48413558,C(C(C(C(C(CBr)O)O)O)O)Br,carcinogenic
+48413559,C1=CC2=C(C=C(C=C2N=C1)Br)Br,non-carcinogenic
+48413560,CCCCNC(=O)N(CCCC)N=O,carcinogenic
+48413561,CCCC[Sn](CCCC)(OC(=O)C)OC(=O)C,non-carcinogenic
+48413564,CC(F)(Cl)Cl,carcinogenic
+48413569,C1=C(C=C(C(=C1Cl)N)Cl)N,non-carcinogenic
+48413570,C(C(=O)O)(Cl)Cl,carcinogenic
+48413571,C(#CCl)Cl,carcinogenic
+48413572,C1=CC=C(C(=C1)Cl)Cl,non-carcinogenic
+48413573,C1=CC(=CC=C1Cl)Cl,carcinogenic
+48413574,C1=CC(=C(C=C1C2=CC(=C(C=C2)N)Cl)Cl)N,carcinogenic
+48413576,C(C=CCCl)Cl,carcinogenic
+48413578,C1=CC2=C(C=C1Cl)OC3=C(O2)C=C(C=C3)Cl,non-carcinogenic
+48413579,C(F)(F)(Cl)Cl,non-carcinogenic
+48413580,C1=CC(=CC=C1S(=O)(=O)C2=CC=C(C=C2)Cl)Cl,non-carcinogenic
+48413581,CC(Cl)Cl,non-carcinogenic
+48413582,C(CCl)Cl,carcinogenic
+48413583,C1=CC(=C(C=C1Cl)Cl)O,non-carcinogenic
+48413586,C1=CC(=C(C=C1Cl)Cl)OCC(=O)O,non-carcinogenic
+48413592,CC(CCl)Cl,non-carcinogenic
+48413593,COP(=O)(OC)OC=C(Cl)Cl,carcinogenic
+48413594,[O-][Cr](=O)(=O)O[Cr](=O)(=O)[O-].[Na+].[Na+],carcinogenic
+48413595,C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)(C(Cl)(Cl)Cl)O)Cl,non-carcinogenic
+48413596,C1CCC(CC1)NC(=S)NC2CCCCC2,non-carcinogenic
+48413597,C1C2C3CC4C(C3C1C5C2O5)O4,non-carcinogenic
+48413598,C1C2C3C(C1C4C2O4)C5(C(=C(C3(C5(Cl)Cl)Cl)Cl)Cl)Cl,non-carcinogenic
+48413599,C12C3C(C4C1C5(C(C3(C4(C5(Cl)Cl)Cl)Cl)Cl)Cl)C6C2O6,non-carcinogenic
+48413600,C1C(O1)C2CO2,non-carcinogenic
+48413602,CCN(CC)C1=CC=C(C=C1)N=NC2=CC=[N+](C=C2)[O-],carcinogenic
+48413603,CCN(CC)C(=O)C1=CC(=CC=C1)C,non-carcinogenic
+48413604,CCOP(=S)(OCC)OC1=NC(=C(C=C1Cl)Cl)Cl,non-carcinogenic
+48413605,CCN(CC)C(=O)C,carcinogenic
+48413606,CCC(CC)C(=O)NC(=O)N,non-carcinogenic
+48413607,CCN(CC)CC#CC(C)(C)OC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O.O.Cl,non-carcinogenic
+48413608,C(COCCO)O,carcinogenic
+48413609,CCN(CC)C=O,non-carcinogenic
+48413610,CCOC(=O)C=CC(=O)OCC,non-carcinogenic
+48413611,CCC(=C(CC)C1=CC=C(C=C1)O)C2=CC=C(C=C2)O,carcinogenic
+48413612,CCNC(=S)NCC,carcinogenic
+48413613,C(CC(C(F)F)(C(=O)O)N)CN,non-carcinogenic
+48413616,C1C(O1)COC2=CC(=CC=C2)OCC3CO3,carcinogenic
+48413617,C1N=C(NC(=O)N1C2C(C(C(O2)CO)O)O)N,non-carcinogenic
+48413618,C1=CC=C2C(=C1)C(=O)NC(N2)C3=CC=C(S3)[N+](=O)[O-],carcinogenic
+48413619,C1C=CCON1N=O,carcinogenic
+48413620,C1CC(=O)OC2=CC=CC=C21,carcinogenic
+48413621,CCCC1=CC2=C(C=C1)OCO2,carcinogenic
+48413623,CC(CCC(C(C)(C)O)O)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C,non-carcinogenic
+48413624,CC(C)CCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCC(C)C,carcinogenic
+48413625,CC(CCC1=CC=CC=C1)NCC(C2=CC(=C(C=C2)O)C(=O)N)O.Cl,non-carcinogenic
+48413626,CC1(C(=O)NC(=O)O1)C,non-carcinogenic
+48413627,CNC(=O)CSP(=S)(OC)OC,non-carcinogenic
+48413628,CC1CC(OC(O1)C)OC(=O)C,carcinogenic
+48413628,CC1CC(OC(O1)C)OC(=O)C,carcinogenic
+48413630,COC1=CC(=C(C=C1)OC)C=CC2=CC=C(C=C2)N,carcinogenic
+48413631,COC1=CC(=C(C=C1)N)OC.Cl,non-carcinogenic
+48413632,COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=C=O)OC)N=C=O,carcinogenic
+48413633,COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)OC)N.Cl.Cl,carcinogenic
+48413634,COC1=CC(=C2C3=C(CCC3)C(=O)OC2=C1)OC,non-carcinogenic
+48413635,COC1=CC(=C2C(=C1)OC(=O)C3=C2C(=O)CC3)OC,non-carcinogenic
+48413636,COC1=CC(=C2C3=C(C(=O)CC3)C(=O)OC2=C1)OC,non-carcinogenic
+48413637,COC1=C(C2=C(C(=C1)O)C(=O)C3=C(C=C4C(=C3O2)C5C=COC5O4)OC)OC,carcinogenic
+48413638,CC(=O)NCCSP(=S)(OC)OC,non-carcinogenic
+48413639,CN(C)C1=CC=C(C=C1)N=NC2=CC=CC=C2,carcinogenic
+48413640,CN(C(=O)C1=CC=CC=C1C(=O)N(C)N=O)N=O,non-carcinogenic
+48413641,CO[P+](=O)OC,carcinogenic
+48413642,COP(=O)(C)OC,carcinogenic
+48413643,COP(=O)(N1CCOCC1)OC,carcinogenic
+48413644,CC1=CC(=NC(=N1)C2=CC=C(O2)[N+](=O)[O-])C,carcinogenic
+48413645,CC1=NC=C(N1C)[N+](=O)[O-],carcinogenic
+48413646,COC(=O)C1=CC=C(C=C1)C(=O)OC,non-carcinogenic
+48413647,CC(=O)N(C)C,non-carcinogenic
+48413648,CCC(C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2)OC(=O)C.Cl,carcinogenic
+48413649,CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2.Cl,non-carcinogenic
+48413650,CN(C)CNC1=NN=C(O1)C=CC2=CC=C(O2)[N+](=O)[O-],carcinogenic
+48413654,CC[NH2+]C(=O)N(CCN(C)C)N=O.N(=O)[O-],carcinogenic
+48413655,CC1=C(C(=CC=C1)C)N,non-carcinogenic
+48413656,CN(C)C1=CC=CC=C1,carcinogenic
+48413657,C[As](=O)(C)O,carcinogenic
+48413658,CC1(C(=O)NC(=O)NC1=O)C,non-carcinogenic
+48413660,CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)C)N.Cl.Cl,carcinogenic
+48413663,CCCCCCCCCCCC[N+](C)(C)[O-],non-carcinogenic
+48413664,CN(C)C=O,non-carcinogenic
+48413665,CN(C)N,non-carcinogenic
+48413667,CN(C)NC1=NC(=CS1)C2=CC=C(O2)[N+](=O)[O-],carcinogenic
+48413668,CN(C)[N+](=O)[O-],carcinogenic
+48413669,CNC(=S)NC,non-carcinogenic
+48413670,CC(=CCl)C,carcinogenic
+48413671,CC(C)(C)C1=CC(=CC(=C1OS(=O)(=O)C)[N+](=O)[O-])[N+](=O)[O-],non-carcinogenic
+48413675,CN1C=NC(=C1C(=O)N(C)N=O)N(C)N=O,carcinogenic
+48413676,C1CN(CCN(C1)N=O)N=O,carcinogenic
+48413677,C1N2CN(CN1CN(C2)N=O)N=O,non-carcinogenic
+48413679,CC1=C(C=CC=C1[N+](=O)[O-])[N+](=O)[O-],carcinogenic
+48413680,CC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-],non-carcinogenic
+48413680,CC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-],non-carcinogenic
+48413680,CC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-],non-carcinogenic
+48413680,CC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-],non-carcinogenic
+48413684,C1COCCO1,carcinogenic
+48413685,CCOP(=S)(OCC)SC1C(OCCO1)SP(=S)(OCC)OCC,non-carcinogenic
+48413687,CCCCCN(CCCCC)N=O,carcinogenic
+48413688,CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2.Cl,non-carcinogenic
+48413689,C1=CC=C(C=C1)NC2=CC=C(C=C2)NC3=CC=CC=C3,non-carcinogenic
+48413692,C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC=CC=C3,non-carcinogenic
+48413693,CCCN(CCC)C1=CC=C(C=C1)N=NC2=CC=[N+](C=C2)[O-],non-carcinogenic
+48413694,CCC(O)OC(CC)O,non-carcinogenic
+48413695,CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)CS(=O)(=O)[O-].[Na+],non-carcinogenic
+48413696,C1=NC(=O)C2=C(N1)N(C=N2)C3C(C(C(O3)COP(=O)([O-])[O-])O)O.[Na+].[Na+],non-carcinogenic
+48413697,C(=S)(N)NNC(=S)N,non-carcinogenic
+48413698,C(=S)(C(=S)N)N,non-carcinogenic
+48413699,CCCCCCCCCCCCC(=O)COC1=C(C(=O)OC1C(CO)O)O,non-carcinogenic
+48413701,C1=CC(=C(C=C1CC(C(=O)O)N)O)O,non-carcinogenic
+48413702,C1=CC(=C(C=C1CCN)O)O.Cl,non-carcinogenic
+48413703,C1=CC=C(C(=C1)C2=NC(C(=O)N(C3=C2C=C(C=C3)Cl)CCO)O)F,non-carcinogenic
+48413704,CC(C1=CC=CC=C1)(C2=CC=CC=N2)OCCN(C)C.C(CC(=O)O)C(=O)O,carcinogenic
+48413708,C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)O)CC(=O)[O-].O.O.O.[Na+].[Na+].[Na+],non-carcinogenic
+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-carcinogenic
+48413710,C1=C2C3=C(C(=C1O)O)OC(=O)C4=CC(=C(C(=C43)OC2=O)O)O,non-carcinogenic
+48413713,CC1=CC(=C2C(=C1)C(=O)C3=CC(=CC(=C3C2=O)O)O)O,non-carcinogenic
+48413715,C1C2C(COS(=O)O1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl,non-carcinogenic
+48413716,C1C2C3C(C1C4C2O4)C5(C(=C(C3(C5(Cl)Cl)Cl)Cl)Cl)Cl,non-carcinogenic
+48413720,CC(C(C1=CC=CC=C1)O)NC.CC(C(C1=CC=CC=C1)O)NC.OS(=O)(=O)O,non-carcinogenic
+48413721,C1C(O1)CCl,carcinogenic
+48413724,CCC1CO1,carcinogenic
+48413725,C(C(C1C(=C(C(=O)O1)O)O)O)[O-].[Na+],non-carcinogenic
+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-carcinogenic
+48413727,C1C2=NN=CN2C3=C(C=C(C=C3)Cl)C(=N1)C4=CC=CC=C4,non-carcinogenic
+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,non-carcinogenic
+48413731,CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)O,carcinogenic
+48413732,CCC1=NC=CC(=C1)C(=S)N,non-carcinogenic
+48413733,CCSCCC(C(=O)O)N,carcinogenic
+48413734,CCSCCC(C(=O)O)N,carcinogenic
+48413735,CCOC1=CC=C(C=C1)NC(=O)N,carcinogenic
+48413737,CCOC1=CC2=C(C=C1)NC(C=C2C)(C)C,non-carcinogenic
+48413738,CCOC(=O)C=C,carcinogenic
+48413739,CCO,carcinogenic
+48413740,CCN=[N+](CC)[O-],carcinogenic
+48413741,CC[N+](=NC)[O-],carcinogenic
+48413743,CCSCC(C(=O)O)N,non-carcinogenic
+48413744,CCC1=CC=C(C=C1)C(C2=CC=C(C=C2)CC)C(Cl)Cl,non-carcinogenic
+48413746,CCOC(=O)C1C(O1)(C)C2=CC=CC=C2,non-carcinogenic
+48413748,CCN(C(=O)N)N=O,carcinogenic
+48413749,CCN(CC)C(=S)S[Te](SC(=S)N(CC)CC)(SC(=S)N(CC)CC)SC(=S)N(CC)CC,non-carcinogenic
+48413750,CCOC1=C(C(=O)OC1C(CO)O)O,non-carcinogenic
+48413751,CCC1=CC=CC=C1,carcinogenic
+48413755,C1CO1,carcinogenic
+48413756,C1CNC(=S)N1,carcinogenic
+48413759,C1CC2C(O2)CC1C3CO3,non-carcinogenic
+48413760,CCCCC(CC)CO,non-carcinogenic
+48413761,CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC,non-carcinogenic
+48413762,CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OCC(CC)CCCC,carcinogenic
+48413764,CCN(C(=O)NCCO)N=O,carcinogenic
+48413765,CCN(C(=O)NCC(=O)C)N=O,carcinogenic
+48413766,CCN(C#N)N=O,carcinogenic
+48413767,CCC(C1=CC=CC=C1)C(=O)NC(=O)N,non-carcinogenic
+48413769,CC(=O)OC1CCC2C3CCC4(C(C3CCC2=C1)CCC4(C#C)OC(=O)C)C,non-carcinogenic
+48413770,CCC1=CC=CC2=C1NC3=C2CCOC3(CC)CC(=O)O,non-carcinogenic
+48413772,COC1=C(C=CC(=C1)CC=C)O,non-carcinogenic
+48413773,C1CC(N2C=NC=C2C1)C3=CC=C(C=C3)C#N.Cl,non-carcinogenic
+48413774,CN(C)C1=CC=C(C=C1)N=NS(=O)(=O)[O-].[Na+],non-carcinogenic
+48413775,CC1=C(C=CC(=C1)OP(=S)(OC)OC)SC,non-carcinogenic
+48413776,CC(C)C(C1=CC=C(C=C1)Cl)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3,non-carcinogenic
+48413777,[Cl-].[Cl-].[Cl-].[Fe+3],non-carcinogenic
+48413781,CC(=O)O.C1CCNC(C1)CNC(=O)C2=C(C=CC(=C2)OCC(F)(F)F)OCC(F)(F)F,non-carcinogenic
+48413782,C1=CC(=C(C=C1F)F)C(CN2C=NC=N2)(CN3C=NC=N3)O,carcinogenic
+48413783,CN(C)C(=O)NC1=CC=CC(=C1)C(F)(F)F,non-carcinogenic
+48413784,C1C2=CC=CC=C2C3=C1C=C(C=C3)NC(=O)C(F)(F)F,carcinogenic
+48413785,[F-].[Na+],non-carcinogenic
+48413787,CC(=O)NC1=CC=C(C=C1)C2=CC=C(C=C2)F,carcinogenic
+48413788,C(CF)N(C(=O)N)N=O,carcinogenic
+48413789,C1=C(C(=O)NC(=O)N1)F,non-carcinogenic
+48413790,CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F.Cl,non-carcinogenic
+48413791,CC(C)N1C2=CC=CC=C2C(=C1C=CC(CC(CC(=O)O)O)O)C3=CC=C(C=C3)F,carcinogenic
+48413792,C=O,carcinogenic
+48413793,C1=COC(=C1)C2=CSC(=N2)NNC=O,non-carcinogenic
+48413794,CC1=CSC(=N1)NNC=O,carcinogenic
+48413795,C1=C(OC(=C1)[N+](=O)[O-])C2=CSC(=N2)NNC=O,carcinogenic
+48413796,C(=O)NNC(=S)N,non-carcinogenic
+48413798,CCOP(=O)=O.CCOP(=O)=O.CCOP(=O)=O.[Al+3],carcinogenic
+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,carcinogenic
+48413800,C1=COC(=C1)C=NNC(=O)N,non-carcinogenic
+48413801,C1=COC=C1,carcinogenic
+48413802,C1=COC(=C1)C=O,carcinogenic
+48413803,C1=COC(=C1)CO,carcinogenic
+48413804,C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)Cl,non-carcinogenic
+48413805,CC1=CC2C(C(C1=O)O)(C3(C(C(C(C34CO4)O2)O)OC(=O)C)C)CO,non-carcinogenic
+48413806,C1=C(C=C(C(=C1O)O)O)C(=O)O,non-carcinogenic
+48413807,CC(C)(CCCCCCC(C)(C)CO)CO,non-carcinogenic
+48413808,CC1=CC(=C(C=C1)C)OCCCC(C)(C)C(=O)O,carcinogenic
+48413810,CC(=CCCC(=CCOC(=O)C)C)C,non-carcinogenic
+48413813,CC1=CC=CN2C1=NC3=C2N=C(C=C3)N,carcinogenic
+48413814,C1=CC2=NC3=C(N2C=C1)N=C(C=C3)N,carcinogenic
+48413818,C(CC=O)CC=O,non-carcinogenic
+48413819,C(C(CO)O)O,non-carcinogenic
+48413819,C(C(CO)O)O,non-carcinogenic
+48413821,C(C(CCl)O)O,non-carcinogenic
+48413822,C1C(O1)C=O,non-carcinogenic
+48413823,C1C(O1)CO,carcinogenic
+48413824,C(C(=O)O)N,carcinogenic
+48413826,CC1(C2CCC3(C(C2(CCC1O)C)C(=O)C=C4C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C,non-carcinogenic
+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+],carcinogenic
+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+],carcinogenic
+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-carcinogenic
+48413834,C1=C2C(=C(C(=C1Cl)Cl)Cl)OC3=C(C(=C(C=C3O2)Cl)Cl)Cl,carcinogenic
+48413835,C1C2=CC(=C(C=C2C3C1(COC4=C3C=CC(=C4O)O)O)O)O,carcinogenic
+48413836,C1=CC(C2C1C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl)Cl,non-carcinogenic
+48413837,C1CCCNCCC1,non-carcinogenic
+48413838,CCCCCCCN,non-carcinogenic
+48413839,C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)Cl,carcinogenic
+48413840,C(=C(Cl)Cl)(C(=C(Cl)Cl)Cl)Cl,carcinogenic
+48413841,C1(C(C(C(C(C1Cl)Cl)Cl)Cl)Cl)Cl,carcinogenic
+48413841,C1(C(C(C(C(C1Cl)Cl)Cl)Cl)Cl)Cl,carcinogenic
+48413845,C1(=C(C(C(=C1Cl)Cl)(Cl)Cl)Cl)Cl,non-carcinogenic
+48413846,C(C(Cl)(Cl)Cl)(Cl)(Cl)Cl,carcinogenic
+48413847,C1=C(C(=C(C(=C1Cl)Cl)CC2=C(C(=CC(=C2Cl)Cl)Cl)O)O)Cl,non-carcinogenic
+48413848,CC=CC=CC=O,carcinogenic
+48413850,C1N2CN3CN1CN(C2)C3,non-carcinogenic
+48413851,C(N(CO)C1=NC(=NC(=N1)N(CO)CO)N(CO)CO)O,carcinogenic
+48413852,CN(C)P(=O)(N(C)C)N(C)C,carcinogenic
+48413854,CCCCCC(=O)N,non-carcinogenic
+48413855,CCCCCC,non-carcinogenic
+48413856,CCCCCCOC1=C(C(=C(C(=C1)C)O)C)C,non-carcinogenic
+48413857,CCCCCCN(C(=O)N)N=O,carcinogenic
+48413858,CCCCCCC1=C(C=C(C=C1)O)O,non-carcinogenic
+48413859,C1=C(NC=N1)CC(C(=O)O)N.Cl,non-carcinogenic
+48413861,NN,carcinogenic
+48413862,NN.OS(=O)(=O)O,carcinogenic
+48413863,C1=CC(=CC=C1C2=CSC(=N2)NN)N,carcinogenic
+48413864,C1=C(OC(=C1)[N+](=O)[O-])C2=CSC(=N2)NN,carcinogenic
+48413865,C1=CC(=CC=C1C2=CSC(=N2)NN)[N+](=O)[O-],carcinogenic
+48413866,C1=CC=C(C=C1)C2=CSC(=N2)NN,non-carcinogenic
+48413869,C1=CC=C(C=C1)NNC2=CC=CC=C2,carcinogenic
+48413870,Cl,non-carcinogenic
+48413871,C(C(F)(F)F)(Cl)Cl,carcinogenic
+48413872,C1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl,non-carcinogenic
+48413873,CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)CO)O)C)O,non-carcinogenic
+48413875,C1=CC(=CC=C1O)O,carcinogenic
+48413877,CC(=O)NC1=C(C=C(C=C1)C2=CC=CC=C2)O,non-carcinogenic
+48413878,CC(=O)N(C1=CC2=C(C=C1)C3=CC=CC=C3C2)O,carcinogenic
+48413879,C1=CC=C(C=C1)C2=CC(=C(C=C2)N)O,non-carcinogenic
+48413881,C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)O,carcinogenic
+48413883,C1CN(C(=O)N1CCO)N=CC2=CC=C(O2)[N+](=O)[O-],carcinogenic
+48413884,CCNC(=O)N(CCO)N=O,carcinogenic
+48413885,C(CO)N(C(=O)N)N=O,carcinogenic
+48413886,C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=C(S3)[N+](=O)[O-])NCCO,carcinogenic
+48413888,C(CN(C(=O)N)N=O)CO,carcinogenic
+48413889,C1=CC2=C(C(=C1)O)N=CC=C2,non-carcinogenic
+48413890,C=CC(C1=CC2=C(C=C1)OCO2)O,carcinogenic
+48413891,CC(C)CC1=CC=C(C=C1)C(C)C(=O)O,non-carcinogenic
+48413892,CC(CN1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2,carcinogenic
+48413893,C1=CN(N=C1NC(=NCC(F)(F)F)N)CCCCC(=O)N,carcinogenic
+48413894,CS(=O)(=O)OCCCNCCCOS(=O)(=O)C.Cl,non-carcinogenic
+48413895,C(C(=O)O)NCC(=O)[O-].[Na+],non-carcinogenic
+48413898,CC1(C2=C(C=CC(=C2)C3=NNC(=O)CC3)NC1=O)C,carcinogenic
+48413899,CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O,carcinogenic
+48413900,CC(C1OCC(O1)CO)I,carcinogenic
+48413901,C(C(=O)N)I,non-carcinogenic
+48413902,C(I)(I)I,non-carcinogenic
+48413903,CCN(CC)CCCNC(=O)CN1C(=C(C=N1)C2=CC=CC=C2)C3=CC=CC=C3.C(=CC(=O)O)C(=O)O,non-carcinogenic
+48413904,CN1C2=C(C3=C(C=C2)N=CC=C3)N=C1N,carcinogenic
+48413905,CN1C2=C(C3=C(C=C2)N=CC=C3)N=C1N.Cl,carcinogenic
+48413906,C1=CC(=C(C=C1Cl)C2=NC(=NC(=N2)N)N)Cl.C(=CC(=O)O)C(=O)O,non-carcinogenic
+48413907,CC=C1CC(C(C(=O)OCC2=CC[N+]3(C2C(CC3)OC1=O)[O-])(CO)O)C,carcinogenic
+48413908,CC(=C)C,carcinogenic
+48413910,CC(C)CON=O,carcinogenic
+48413911,CC(C)CN(C(=N[N+](=O)[O-])N)N=O,non-carcinogenic
+48413912,CC(C)C=O,non-carcinogenic
+48413915,COC1=C(C=CC(=C1)S(=O)C)C2=NC3=C(N2)C=NC=C3,carcinogenic
+48413916,C1=CN=CC=C1C(=O)NN,carcinogenic
+48413920,CC1=CC(=O)CC(C1)(C)C,carcinogenic
+48413921,C1CN(P(=O)(OC1)NCCCl)CCCl,carcinogenic
+48413922,CC(=C)C=C,carcinogenic
+48413923,CC(C)O,non-carcinogenic
+48413925,CC(C)OC(=O)NC1=CC(=CC=C1)Cl,non-carcinogenic
+48413929,CCC(C)C1C(CCC2(O1)CC3CC(O2)CC=C(C(C(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)O)OC)OC)C)C,non-carcinogenic
+48413930,CC1CC=CC=CC(C(CC(C(C(C(CC(=O)O1)OC(=O)C)OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)OC(=O)CC(C)C)(C)O)N(C)C)O)CC=O)C)O,non-carcinogenic
+48413931,C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O,non-carcinogenic
+48413932,C1=C(C=C(C=C1Cl)Cl)C2=CC(=CC(=C2)Cl)Cl,non-carcinogenic
+48413933,C1(=O)C2(C3(C4(C1(C5(C2(C3(C(C45Cl)(Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl,carcinogenic
+48413934,CC(C1=CC=CC(=C1)C(=O)C2=CC=CC=C2)C(=O)O,non-carcinogenic
+48413936,CC=C(C)C(=O)OC1CCN2C1C(=CC2)COC(=O)C(C(C)OC)(C(C)(C)O)O,carcinogenic
+48413937,CC(=O)[O-].CC(=O)[O-].[Pb+2],carcinogenic
+48413938,CC(=O)O[Pb]OC(=O)C.O.O.O.O.[Pb].[Pb],carcinogenic
+48413939,CN(C)C(=S)S[Pb]SC(=S)N(C)C,non-carcinogenic
+48413941,CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O.Cl,non-carcinogenic
+48413942,CC1=CCC(CC1)C(=C)C,carcinogenic
+48413943,CC(CCC(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C,non-carcinogenic
+48413945,CC(C1=NCCN1)OC2=C(C=CC=C2Cl)Cl.Cl,non-carcinogenic
+48413946,C1=CC=C2C(=C1)C(=NN2CC3=C(C=C(C=C3)Cl)Cl)C(=O)O,non-carcinogenic
+48413947,CN1C(=C(C2=C(S1(=O)=O)C=C(S2)Cl)O)C(=O)NC3=CC=CC=N3,non-carcinogenic
+48413948,CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)C,non-carcinogenic
+48413949,CN1C(=NC(=N1)CO)NCCCOC2=CC=CC(=C2)CN3CCCCC3,carcinogenic
+48413950,CC1=NC=C(C=C1)CC2=CN=C(NC2=O)NCCSCC3=CC=C(O3)CN(C)C.Cl.Cl.Cl,carcinogenic
+48413954,CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC,non-carcinogenic
+48413955,CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC,non-carcinogenic
+48413956,C1=CC(=O)NNC1=O,non-carcinogenic
+48413957,C(=C[O-])C=O.[Na+],carcinogenic
+48413958,C(CNC(=S)[S-])NC(=S)[S-].[Mn+2],carcinogenic
+48413959,O.[O-]S(=O)(=O)[O-].[Mn+2],non-carcinogenic
+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-carcinogenic
+48413961,C(C(C(C(C(CO)O)O)O)O)O,non-carcinogenic
+48413962,C(CCl)NCC(C(C(C(CNCCCl)O)O)O)O,non-carcinogenic
+48413963,CC1=C(N=C2C(=C1)C3=CC=CC=C3N2)[NH3+].CC(=O)[O-],carcinogenic
+48413965,CC1=CN=C2C=CC3=C(C2=N1)N=C(N3C)N,carcinogenic
+48413966,C1(=NC(=NC(=N1)N)N)N,carcinogenic
+48413967,CC1=CN=C(S1)NC(=O)C2=C(C3=CC=CC=C3S(=O)(=O)N2C)O,non-carcinogenic
+48413968,C1=CC(=CC=C1CC(C(=O)O)N)N(CCCl)CCCl,carcinogenic
+48413969,CC1CCC(C(C1)O)C(C)C,non-carcinogenic
+48413970,CCN(CC)CCOC1=CC=C(C=C1)C(CC2=CC=C(C=C2)OC)(C3=CC=CC=C3)O,non-carcinogenic
+48413971,C1=CC=C2C(=C1)NC(=S)S2,carcinogenic
+48413973,C(CS(=O)(=O)[O-])S.[Na+],non-carcinogenic
+48413974,C1=NC2=C(N1)C(=S)N=CN2,non-carcinogenic
+48413975,[Cl-].[Cl-].[Hg+2],carcinogenic
+48413977,C[Hg]Cl,non-carcinogenic
+48413979,CC1CN1P(=O)(N2CC2C)N3CC3C,carcinogenic
+48413980,CC(=C)C#N,non-carcinogenic
+48413981,CN(C)CCN(CC1=CC=CO1)C2=CC=CC=N2,non-carcinogenic
+48413982,CN(C)CCN(CC1=CC=CS1)C2=CC=CC=C2,non-carcinogenic
+48413983,CN(C)CCN(CC1=CC=CS1)C2=CC=CC=N2.Cl,carcinogenic
+48413985,CN1C=CNC1=S,carcinogenic
+48413986,CSCCC(C(=O)O)N,non-carcinogenic
+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-carcinogenic
+48413990,COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)N,carcinogenic
+48413991,COC1=CC=CC(=C1O)O,carcinogenic
+48413992,COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)C(Cl)(Cl)Cl,non-carcinogenic
+48413993,COC1=CC=C(C=C1)O,carcinogenic
+48413995,COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2,carcinogenic
+48413996,CCN=[N+](C)[O-],carcinogenic
+48413997,CBr,non-carcinogenic
+48413998,CC(C)(C)OC,carcinogenic
+48413999,COC(=O)N,carcinogenic
+48414000,COC(=O)NN,non-carcinogenic
+48414001,CC1=C(C=CC(=C1)Cl)OCC(=O)O,non-carcinogenic
+48414002,CC(C)(C(=O)OC)OC1=CC=C(C=C1)C2=CC=C(C=C2)Cl,carcinogenic
+48414004,CC1=CC(=CC=C1)N=NC2=CC=C(C=C2)N(C)C,carcinogenic
+48414005,CN(C1=CC=C(C=C1)N=O)N=O,carcinogenic
+48414008,CCCCCC(C=CC=CCCCCCCCC(=O)OC)OO,non-carcinogenic
+48414009,CCCCCC=CCC=CCCCCCCCC(=O)OC,non-carcinogenic
+48414010,CC(=C)C(=O)OC,non-carcinogenic
+48414012,CN(C(=N[N+](=O)[O-])N)N=O,carcinogenic
+48414013,CC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-],carcinogenic
+48414014,CC1CN(C(=O)N1)N=CC2=CC=C(O2)[N+](=O)[O-],carcinogenic
+48414015,CN(C1=CC=C(C=C1)C=CC2=CC=NC3=CC=CC=C23)N=O,carcinogenic
+48414016,CN(C(=O)C1=CC=CC=C1)N=O,carcinogenic
+48414017,CN(C(=O)NCCCC(C(=O)O)N)N=O,carcinogenic
+48414018,CC1CCCCN1N=O,carcinogenic
+48414019,CC1CCCCN1N=O,carcinogenic
+48414021,COP(=S)(OC)OC1=CC=C(C=C1)[N+](=O)[O-],non-carcinogenic
+48414022,CN1CCCC1=O,non-carcinogenic
+48414025,CC(C1=CC=CC=C1)O,carcinogenic
+48414027,CC1=CC(=C(C=C1)O)O,carcinogenic
+48414028,CC1=C2CCC3=C2C(=CC4=C3C=CC5=CC=CC=C54)C=C1,carcinogenic
+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-carcinogenic
+48414030,CC(C)C(=O)OC1=C(C=C(C=C1)CCNC)OC(=O)C(C)C.Cl,non-carcinogenic
+48414031,C1=CC(=C(C=C1CC2=CC(=C(C=C2)N)Cl)Cl)N,carcinogenic
+48414032,C1=CC(=C(C=C1CC2=CC(=C(C=C2)N)Cl)Cl)N.Cl.Cl,non-carcinogenic
+48414033,CC1=C(C=CC(=C1)CC2=CC(=C(C=C2)N)C)N,carcinogenic
+48414034,C(Cl)Cl,carcinogenic
+48414035,CN(C)C1=CC=C(C=C1)CC2=CC=C(C=C2)N(C)C,carcinogenic
+48414036,CC1=CC(=C(C(=C1)C(C)(C)C)O)CC2=C(C(=CC(=C2)C)C(C)(C)C)O,non-carcinogenic
+48414037,C1=CC(=CC=C1CC2=CC=C(C=C2)N)N.Cl.Cl,carcinogenic
+48414038,CCC(=NO)C,carcinogenic
+48414039,COC1=C(C=C(C=C1)CC=C)OC,carcinogenic
+48414040,CN=C(N)N,non-carcinogenic
+48414041,CN1C=NC2=C1C(=O)N=C(N2)N,non-carcinogenic
+48414044,CC1=C(C=CC(=C1)O)O,non-carcinogenic
+48414045,CC1=NC=CN1,carcinogenic
+48414048,CN[N+](=O)[O-],carcinogenic
+48414049,CN(CCCC(C1=CN=CC=C1)O)N=O,carcinogenic
+48414050,CN(CCCC(=O)C1=CN=CC=C1)N=O,carcinogenic
+48414053,CN(C#N)N=O,carcinogenic
+48414054,C=CC(=O)NCO,non-carcinogenic
+48414055,COC(=O)C(C1CCCCN1)C2=CC=CC=C2.Cl,non-carcinogenic
+48414056,CC1=CC2=C(C=C1)N=CC=C2,non-carcinogenic
+48414057,CC1=CC=CC2=C1N=CC=C2,non-carcinogenic
+48414060,CC1=CC2=C(C=C1)SC3=CC=CC=C3N=C2N4CCN(CC4)C,non-carcinogenic
+48414061,C(CNC(=S)[S-])NC(=S)[S-].[Zn+2],non-carcinogenic
+48414062,CC1=NC=C(N1CCO)[N+](=O)[O-],carcinogenic
+48414063,CC1=CC(=CC(=C1N(C)C)C)OC(=O)NC,non-carcinogenic
+48414064,CN(C)C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)N(C)C,carcinogenic
+48414065,C12(C3(C4(C5(C3(C(C1(C5(C2(C4(Cl)Cl)Cl)Cl)Cl)(Cl)Cl)Cl)Cl)Cl)Cl)Cl,carcinogenic
+48414066,C12C3(C4(C5(C3(C(C1(C5(C2(C4(Cl)Cl)Cl)Cl)Cl)(Cl)Cl)Cl)Cl)Cl)Cl,carcinogenic
+48414067,CCCCC(C)(CC=CC1C(CC(=O)C1CCCCCCC(=O)OC)O)O,non-carcinogenic
+48414068,CC1=C(C(=O)C2=C(C1=O)N3CC4C(C3(C2COC(=O)N)OC)N4)N,carcinogenic
+48414069,O=[Mo](=O)=O,non-carcinogenic
+48414071,C(C(=O)O)Cl,non-carcinogenic
+48414072,CC1C(=O)OC2CCN3C2C(=CC3)COC(=O)C(C1(C)O)(C)O,carcinogenic
+48414073,C[As](=O)(O)O,non-carcinogenic
+48414074,CNC(=O)C1=C(N=CN1C)N(C)N=O,carcinogenic
+48414075,C(C(C(=O)[O-])N)C(=O)O.[Na+],non-carcinogenic
+48414077,C(CC(=O)O)C(C(=O)[O-])N.[Na+],non-carcinogenic
+48414078,C(CC(=O)[O-])C(=O)O.[Na+],non-carcinogenic
+48414079,C1COCCN1C2=NC(=NC3=CC=CC=C32)C4=CC=C(S4)[N+](=O)[O-],carcinogenic
+48414080,C1COCCN1CC2CN(C(=O)O2)N=CC3=CC=C(O3)[N+](=O)[O-].Cl,carcinogenic
+48414081,CS(=O)(=O)OCCCCOS(=O)(=O)C,non-carcinogenic
+48414082,CC(C)(C(=O)O)OC1=CC=C(C=C1)C2CCCC3=CC=CC=C23,carcinogenic
+48414083,CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)O,carcinogenic
+48414084,C1=CC=C2C=CC=CC2=C1,carcinogenic
+48414087,C1=CC2=C(C=CC=C2N)C(=C1)N,carcinogenic
+48414088,C1=CC=C2C(=C1)C=CC=C2NCCN.Cl.Cl,non-carcinogenic
+48414092,C1=CC=C2C=C(C=CC2=C1)N,carcinogenic
+48414094,CC1=C(C(=CC=C1)C)NC(=O)CN2CCCC2=O,non-carcinogenic
+48414096,[Ni],non-carcinogenic
+48414099,O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[Ni+2],non-carcinogenic
+48414101,CN1CCCC1C2=CN=CC=C2,non-carcinogenic
+48414107,CCNC(=O)NC1=NC=C(S1)[N+](=O)[O-],carcinogenic
+48414108,[N+](=O)([O-])[O-].[Na+],non-carcinogenic
+48414110,C(C(=O)O)N(CC(=O)O)CC(=O)O,carcinogenic
+48414111,C(C(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].O.[Na+].[Na+].[Na+],carcinogenic
+48414112,N(=O)[O-].[Na+],carcinogenic
+48414113,CCOC1=C(C=C(C=C1)NC(=O)C)[N+](=O)[O-],non-carcinogenic
+48414114,COC1=C(C=C(C=C1)[N+](=O)[O-])N,carcinogenic
+48414115,C1=C(OC(=C1)[N+](=O)[O-])C=NNC(=O)N,carcinogenic
+48414116,C1=C(OC(=C1)[N+](=O)[O-])C(=NO)N,non-carcinogenic
+48414117,CC(=O)OC(C1=CC=C(O1)[N+](=O)[O-])OC(=O)C,non-carcinogenic
+48414118,C1=CC2=NC=C(N2C=C1)C3=CC=C(O3)[N+](=O)[O-],carcinogenic
+48414119,C1=C(OC(=C1)[N+](=O)[O-])C2=NNC(=O)O2,carcinogenic
+48414120,CC(=O)NCC1=NC(=NO1)C2=CC=C(O2)[N+](=O)[O-],carcinogenic
+48414121,CC(=O)NC1=NN=C(S1)C2=CC=C(O2)[N+](=O)[O-],carcinogenic
+48414122,C1=C(OC(=C1)[N+](=O)[O-])C2=CSC=N2,carcinogenic
+48414123,CC(=O)NC1=NC(=CS1)C2=CC=C(O2)[N+](=O)[O-],carcinogenic
+48414124,C1=C(OC(=C1)[N+](=O)[O-])C2=CSC(=N2)NC=O,carcinogenic
+48414125,CC(=O)NC1=NC(=NC(=N1)C2=CC=C(O2)[N+](=O)[O-])NC(=O)C,carcinogenic
+48414126,CCC=C(CC)[N+](=O)[O-],carcinogenic
+48414127,C1=CC(=C(C=C1[As](=O)(O)O)[N+](=O)[O-])O,non-carcinogenic
+48414128,C1=CC(=C(C=C1N)[N+](=O)[O-])N,non-carcinogenic
+48414129,C1=CC(=C(C=C1[N+](=O)[O-])N)N,non-carcinogenic
+48414130,CC1=C(C=C(C=C1)[N+](=O)[O-])N,non-carcinogenic
+48414131,C1CC2=CC=CC3=C(C=CC1=C23)[N+](=O)[O-],carcinogenic
+48414132,C1=CC(=CC=C1N)[N+](=O)[O-],non-carcinogenic
+48414133,COC1=CC=CC=C1[N+](=O)[O-],carcinogenic
+48414134,C1=CC(=C(C=C1[N+](=O)[O-])N)C(=O)O,non-carcinogenic
+48414135,C1=CC=C(C=C1)[N+](=O)[O-],carcinogenic
+48414136,C1=CC2=C(C=C1[N+](=O)[O-])NC=N2,non-carcinogenic
+48414137,C1=CC(=CC=C1C(=O)O)[N+](=O)[O-],carcinogenic
+48414138,CCCC[N+](=O)[O-],non-carcinogenic
+48414139,CCC(C)[N+](=O)[O-],carcinogenic
+48414140,CC[N+](=O)[O-],non-carcinogenic
+48414141,C1=CC(=CC=C1[N+](=O)[O-])OC2=C(C=C(C=C2)Cl)Cl,carcinogenic
+48414142,C1C2=CC=CC=C2C3=C1C=C(C=C3)[N+](=O)[O-],carcinogenic
+48414143,C1C(=O)NC(=O)N1N=CC2=CC=C(O2)[N+](=O)[O-],carcinogenic
+48414144,C1CN(C(=O)N1)N=CC2=CC=C(O2)[N+](=O)[O-],carcinogenic
+48414145,N(=O)[O],non-carcinogenic
+48414146,CN(CCCl)CCCl,carcinogenic
+48414147,C[N+](CCCl)(CCCl)[O-],carcinogenic
+48414148,C[N+](=O)[O-],carcinogenic
+48414149,C1=CC=C2C(=C1)C=CC=C2[N+](=O)[O-],non-carcinogenic
+48414150,CCC(CC)[N+](=O)[O-],carcinogenic
+48414151,CCC[N+](=O)[O-],non-carcinogenic
+48414152,CC(C)[N+](=O)[O-],non-carcinogenic
+48414153,C(C[N+](=O)[O-])C(=O)O,non-carcinogenic
+48414154,C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)[N+](=O)[O-],carcinogenic
+48414155,C1=CC2=C(C=CC(=C2)[N+](=O)[O-])N=C1,non-carcinogenic
+48414156,C1=CC2=C(C(=C1)[N+](=O)[O-])N=CC=C2,carcinogenic
+48414157,CC(C)OC1=CC=CC=C1OC(=O)N(C)N=O,carcinogenic
+48414158,C(CC(F)(F)F)CN(CCCC(F)(F)F)N=O,carcinogenic
+48414159,CC1CN(C(=O)NC1=O)N=O,non-carcinogenic
+48414160,C1CN(C(=O)NC1=O)N=O,carcinogenic
+48414161,CC(CN(CC(CO)O)N=O)O,carcinogenic
+48414162,CC(=O)CN(CC(CO)O)N=O,carcinogenic
+48414163,C(CO)N(CC(CO)O)N=O,carcinogenic
+48414164,CC1CN(CC(N1C(=O)C2=CC=CC=C2)C)N=O,carcinogenic
+48414165,C(CCl)NC(=O)N(CCO)N=O,carcinogenic
+48414166,C1COC(CN1N=O)O,non-carcinogenic
+48414167,CC(CN(C(=O)NCCCl)N=O)O,carcinogenic
+48414168,CC(CN(CCO)N=O)O,carcinogenic
+48414169,C1CN(CC1O)N=O,carcinogenic
+48414170,CC(C)CN(C(=O)N)N=O,carcinogenic
+48414171,CCCCCCCCCCCCN(C)N=O,carcinogenic
+48414172,CN(C1=CC=C(C=C1)F)N=O,carcinogenic
+48414173,CN(C1=CC=C(C=C1)[N+](=O)[O-])N=O,non-carcinogenic
+48414174,CN(CCC1=CC=CC=C1)N=O,carcinogenic
+48414175,CCCCCCCCCCCCCCN(C)N=O,carcinogenic
+48414176,CCCCCCCCCCN(C)N=O,carcinogenic
+48414177,CN(C(=O)N)N=O,carcinogenic
+48414178,C1COC(=O)N1N=O,carcinogenic
+48414179,CC(=O)CN(CCO)N=O,carcinogenic
+48414180,C1CN(CN(C1)N=O)N=O,carcinogenic
+48414181,C1CN(CC=C1)N=O,carcinogenic
+48414182,CCN(CC(F)(F)F)N=O,carcinogenic
+48414183,CC1=CC(N(C2=CC=CC=C12)N=O)(C)C,carcinogenic
+48414184,CC1CN(CC(N1C)C)N=O,carcinogenic
+48414185,C=CCN(CC(CO)O)N=O,carcinogenic
+48414186,CC(CN(CC=C)N=O)O,carcinogenic
+48414187,CC(=O)CN(CC=C)N=O,carcinogenic
+48414188,C=CCN(CCO)N=O,carcinogenic
+48414189,CCCCCN(C(=O)OCC)N=O,carcinogenic
+48414190,C1CCN(C(C1)C2=CN=CC=C2)N=O,carcinogenic
+48414191,CN(C(=O)NC1=NC2=CC=CC=C2S1)N=O,carcinogenic
+48414192,CC(CN(CC(C)O)N=O)O,carcinogenic
+48414193,CC(=O)CN(CC(=O)C)N=O,carcinogenic
+48414194,C(C(F)(F)F)N(CC(F)(F)F)N=O,non-carcinogenic
+48414196,CC1=C(N=CN1)CSCCN=C(NC#N)N(C)N=O,non-carcinogenic
+48414197,CCCCN(CCCC)N=O,carcinogenic
+48414198,C(CO)N(CCO)N=O,carcinogenic
+48414199,CCN(CC)N=O,carcinogenic
+48414200,CN(C)N=O,carcinogenic
+48414201,C1=CC=C(C=C1)N(C2=CC=CC=C2)N=O,carcinogenic
+48414202,C1=CC=C(C=C1)NC2=CC=C(C=C2)N=O,carcinogenic
+48414203,CCCN(CCC)N=O,carcinogenic
+48414204,C1N(CSCS1)N=O,non-carcinogenic
+48414205,C1CCCCCCN(CCCCC1)N=O,carcinogenic
+48414206,CC(C(C1=CC=CC=C1)O)N(C)N=O,carcinogenic
+48414207,CCN(C)N=O,carcinogenic
+48414208,CCN(C(=O)OCC)N=O,carcinogenic
+48414209,COC(=O)C1=CCCN(C1)N=O,non-carcinogenic
+48414210,C1CCCN(CCC1)N=O,carcinogenic
+48414212,C1C(=O)NC(=O)N1N=O,carcinogenic
+48414213,C1C(CN(C1C(=O)O)N=O)O,non-carcinogenic
+48414214,C(C(=O)O)N(CC(=O)O)N=O,non-carcinogenic
+48414215,CN(CCCC(=O)O)N=O,carcinogenic
+48414216,CN(CC(CO)O)N=O,carcinogenic
+48414217,CN(CCO)N=O,carcinogenic
+48414218,CN(CCCO)N=O,carcinogenic
+48414219,CC(CN(C)N=O)O,carcinogenic
+48414220,CC(=O)CN(C)N=O,carcinogenic
+48414221,CC1=CC=C(C=C1)S(=O)(=O)OCCN(C)N=O,carcinogenic
+48414222,CN(C1=CC=CC=N1)N=O,carcinogenic
+48414223,CN(C1=CN=CC=C1)N=O,non-carcinogenic
+48414224,CN(C1=CC=NC=C1)N=O,non-carcinogenic
+48414225,CN(C1=CC=CC=C1)N=O,carcinogenic
+48414227,CCCCCCCCCCCN(C)N=O,carcinogenic
+48414228,C1COCCN1N=O,carcinogenic
+48414229,C1CC(N(C1)N=O)C2=CN=CC=C2,carcinogenic
+48414230,C1CC(N(C1)N=O)C2=C[N+](=CC=C2)[O-],carcinogenic
+48414231,C1CCN(C(C1)C(=O)O)N=O,non-carcinogenic
+48414232,C1CN(CCN1)N=O,carcinogenic
+48414233,C1CCN(CC1)N=O,carcinogenic
+48414234,C1CC(N(C1)N=O)C(=O)O,non-carcinogenic
+48414235,C1CCN(C1)N=O,carcinogenic
+48414236,CC1N(C(SC(S1)C)C)N=O,carcinogenic
+48414237,C1CSCCN1N=O,carcinogenic
+48414238,CC1=CC=CC=C1N=O,carcinogenic
+48414239,CC1=CC=CC=C1[N+](=O)[O-],carcinogenic
+48414240,CC1=CC=C(C=C1)[N+](=O)[O-],carcinogenic
+48414245,C1=CC=C2C(=C1)C3=C(N2)C=NC=C3,non-carcinogenic
+48414246,CC(=O)OC1(CCC2C1(CCC3C2CCC4=CC(=O)CCC34)C)C#C,carcinogenic
+48414247,C1=CC=C(C=C1)C(=O)OOC(=O)C2=CC=CC=C2,non-carcinogenic
+48414248,CC1CC2=C(C=C(C(=C2C(=O)O1)O)C(=O)NC(CC3=CC=CC=C3)C(=O)O)Cl,carcinogenic
+48414249,C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)C(=C(Cl)Cl)Cl,non-carcinogenic
+48414252,CCCCCCCCC=CCCCCCCCC(=O)[O-].[Na+],non-carcinogenic
+48414254,CC1=C(SSC1=S)C2=NC=CN=C2,non-carcinogenic
+48414255,CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC,carcinogenic
+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+],carcinogenic
+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-carcinogenic
+48414258,C1=C(NC(=O)NC1=O)C(=O)[O-].[Na+],non-carcinogenic
+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-carcinogenic
+48414260,CNCC1=CC=C(O1)CSCCNC(=NCC(C2=CC=C(C=C2)O)O)NS(=O)(=O)C,non-carcinogenic
+48414262,CNC(=O)ON=C(C(=O)N(C)C)SC,non-carcinogenic
+48414263,C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)O,non-carcinogenic
+48414264,CC(=O)NC1=CC2=C(C=C1)C3=CC=CC=C3C2=O,carcinogenic
+48414265,CCN1C=C(C(=O)C2=CC3=C(C=C21)OCO3)C(=O)O,carcinogenic
+48414266,CC(=O)CN(C(=O)NCCCl)N=O,non-carcinogenic
+48414267,CC(=O)CN(C(=O)N)N=O,non-carcinogenic
+48414268,C=CC(=O)C1=CC2=C(C=C1)OCO2,non-carcinogenic
+48414269,CC(C)NCC(COC1=CC=CC=C1OCC=C)O.Cl,non-carcinogenic
+48414270,C1=CC(=CC=C1N)OC2=CC=C(C=C2)N,carcinogenic
+48414271,C1COCCN1C(=S)SN2CCOCC2,carcinogenic
+48414273,CC12CCC3C(C1CCC2(C)O)CCC4C3(CC(=CO)C(=O)C4)C,carcinogenic
+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-carcinogenic
+48414275,[O-][O+]=O,non-carcinogenic
+48414276,CC1=C(C(C(=C(N1)C)C(=O)OCC(C)(C)CN(C)CC2=CC=CC=C2)C3=C(C=CC(=C3)[N+](=O)[O-])F)C(=O)OC.Cl,non-carcinogenic
+48414277,CCOP(=S)(OCC)OC1=CC=C(C=C1)[N+](=O)[O-],non-carcinogenic
+48414278,C1C=C2C(=CC(=O)O2)C(O1)O,non-carcinogenic
+48414279,CC1(C(N2C(S1)C(C2=O)NC(=O)COC3=CC=CC=C3)C(=O)[O-])C.[K+],non-carcinogenic
+48414280,COC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl,carcinogenic
+48414281,C(C(Cl)(Cl)Cl)(Cl)Cl,non-carcinogenic
+48414282,C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)[N+](=O)[O-],non-carcinogenic
+48414283,C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)O,carcinogenic
+48414283,C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)O,carcinogenic
+48414283,C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)O,carcinogenic
+48414286,C(C(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-])O[N+](=O)[O-],non-carcinogenic
+48414288,CCCCCN(C(=N[N+](=O)[O-])N)N=O,non-carcinogenic
+48414291,C1CCC(CC1)C(CC2CCCCN2)C3CCCCC3.C(=CC(=O)O)C(=O)O,non-carcinogenic
+48414292,CC1CC2(C(O2)C)C(=O)OC3CCN(CC=C(C3=O)COC(=O)C1(C)O)C,carcinogenic
+48414293,CCOC1=CC=C(C=C1)NC(=O)C,carcinogenic
+48414294,CC1=CC(=O)N(N1C)C2=CC=CC=C2,carcinogenic
+48414295,C1=CC=C(C=C1)N=NC2=C(N=C(C=C2)N)N.Cl,carcinogenic
+48414296,CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CC5=CC=C(C=C5)N(CCCl)CCCl)C)C,carcinogenic
+48414297,C1=CC=C(C=C1)CCN=C=S,non-carcinogenic
+48414298,C1=CC=C(C=C1)CCN=C(N)N=C(N)N.Cl,non-carcinogenic
+48414299,CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2,non-carcinogenic
+48414300,CCC1(C(=O)NC(=NC1=O)[O-])C2=CC=CC=C2.[Na+],carcinogenic
+48414301,C1=CC=C(C=C1)O,non-carcinogenic
+48414302,C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O,carcinogenic
+48414304,CC(COC1=CC=CC=C1)N(CCCl)CC2=CC=CC=C2.Cl,carcinogenic
+48414305,CN(C)N=NC1=CC=CC=C1,carcinogenic
+48414307,CC1=NN(C(=O)C1)C2=CC=CC=C2,non-carcinogenic
+48414308,C1=CC=C(C=C1)NC2=CC3=CC=CC=C3C=C2,non-carcinogenic
+48414309,C1=CC=C(C=C1)NC2=CC=C(C=C2)N.Cl,non-carcinogenic
+48414310,C1=CC=C(C=C1)C(COC(=O)N)COC(=O)N,carcinogenic
+48414311,C1=CC=C(C=C1)C(=CCCCCC(=O)O)C2=CN=CC=C2,non-carcinogenic
+48414312,C1=CC=C(C=C1)NC(=S)N,non-carcinogenic
+48414313,C1=CC=C(C=C1)NN=C2C(=O)C=CC3=CC=CC=C32,carcinogenic
+48414314,CCCCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3,carcinogenic
+48414316,C1=CC(=CC=C1N)N,non-carcinogenic
+48414317,C1=CC(=CC(=C1)N)N.Cl.Cl,non-carcinogenic
+48414318,C1=CC=C(C(=C1)N)N.Cl.Cl,carcinogenic
+48414319,C1=CC(=CC=C1N)N.Cl.Cl,non-carcinogenic
+48414320,CNCC(C1=CC(=CC=C1)O)O.Cl,non-carcinogenic
+48414321,COC1=C(C=CC(=C1)C=CC(=O)OCCC2=CC=CC=C2)O,non-carcinogenic
+48414323,C1C(O1)COC2=CC=CC=C2,carcinogenic
+48414324,C1=CC=C(C=C1)CCCCCCN=C=S,non-carcinogenic
+48414329,C1=CC=C(C=C1)C2=CC=CC=C2O,carcinogenic
+48414331,C1=CC=C(C=C1)C2=CC=CC=C2[O-].[Na+],carcinogenic
+48414332,C1=CC=C(C=C1)CCCN=C=S,non-carcinogenic
+48414333,CN1C2=C(N=CC(=C2)C3=CC=CC=C3)N=C1N.Cl,carcinogenic
+48414336,P,non-carcinogenic
+48414337,C1=CC=C(C(=C1)C(=O)N)C(=O)N,non-carcinogenic
+48414338,C1=CC=C2C(=C1)C(=O)OC2=O,non-carcinogenic
+48414339,C1(=C(C(=NC(=C1Cl)Cl)C(=O)O)Cl)N,non-carcinogenic
+48414341,CCC1C(COC1=O)CC2=CN=CN2C,non-carcinogenic
+48414342,CC1CC=CC=CC=CC=CC(CC2C(C(CC(O2)(CC(CC3C(O3)C=CC(=O)O1)O)O)O)C(=O)O)OC4C(C(C(C(O4)C)O)N)O,non-carcinogenic
+48414343,C1CNCCN1,non-carcinogenic
+48414344,C1CCNCC1,non-carcinogenic
+48414345,CCCCOCCOCCOCC1=CC2=C(C=C1CCC)OCO2,carcinogenic
+48414347,CCCCCCCCS(=O)C(C)CC1=CC2=C(C=C1)OCO2,non-carcinogenic
+48414348,CC1CCCC(N1CCCC(C2=CC=CC=C2)(C3=CC=CC=N3)O)C.Cl,non-carcinogenic
+48414349,CN1C(=C(C2=CC=CC=C2S1(=O)=O)O)C(=O)NC3=CC=CC=N3,non-carcinogenic
+48414350,CC1(COC1=O)C,carcinogenic
+48414352,C1=C(C(=CC(=C1Br)Br)Br)C2=CC(=C(C=C2Br)Br)Br,carcinogenic
+48414353,C1=CC(=C(C(=C1C2=CC(=C(C(=C2)Br)Br)Br)Br)Br)Br,non-carcinogenic
+48414355,CCCCCCCCCC1=CC=C(C=C1)OCCOCCO,non-carcinogenic
+48414356,CCCCCCCCC=CCCCCCCCC(=O)OCCOCC(C1C(CC(O1)OCCO)OCCO)OCCO,non-carcinogenic
+48414357,C=CC1=CC=CC=[N+]1[O-],non-carcinogenic
+48414358,C(=O)(O)[O-].[K+],carcinogenic
+48414359,[Cl-].[K+],non-carcinogenic
+48414360,[K+].[I-],carcinogenic
+48414361,CC(C)NCC(COC1=CC=C(C=C1)NC(=O)C)O,non-carcinogenic
+48414362,C1=CC=C(C=C1)CCCCOC2=CC=C(C=C2)C(=O)NC3=CC=CC4=C3OC(=CC4=O)C5=NNN=N5.C1=CC=C(C=C1)CCCCOC2=CC=C(C=C2)C(=O)NC3=CC=CC4=C3OC(=CC4=O)C5=NNN=N5.O,non-carcinogenic
+48414363,C1CC1CN2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4,non-carcinogenic
+48414364,C1CCC(CC1)C(=O)N2CC3C4=CC=CC=C4CCN3C(=O)C2,non-carcinogenic
+48414365,CC12CC(C3C(C1CCC2(C(=O)COC(=O)CCCC4=CC=C(C=C4)N(CCCl)CCCl)O)CCC5=CC(=O)C=CC35C)O,carcinogenic
+48414366,CC12CC(C3C(C1CCC2(C(=O)CO)O)CCC4=CC(=O)C=CC34C)O,carcinogenic
+48414368,CC12CCC3C(=CCC4=C3C=CC(=C4)OS(=O)(=O)[O-])C1CCC2=O.[Na+],non-carcinogenic
+48414370,CCC1(C(=O)NCNC1=O)C2=CC=CC=C2,non-carcinogenic
+48414371,CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)O,non-carcinogenic
+48414372,CC(C)NC(=O)C1=CC=C(C=C1)CNNC,carcinogenic
+48414373,CC(C)NC(=O)C1=CC=C(C=C1)CNNC.Cl,carcinogenic
+48414375,CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)N(C)C.Cl,non-carcinogenic
+48414378,C1COS(=O)(=O)C1,carcinogenic
+48414380,C1COC1=O,carcinogenic
+48414381,CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O.Cl,non-carcinogenic
+48414384,CCCOC(=O)C1=CC(=C(C(=C1)O)O)O,non-carcinogenic
+48414386,CCCN(C(=N[N+](=O)[O-])N)N=O,carcinogenic
+48414387,CCCN(C(=O)N)N=O,carcinogenic
+48414388,CC=C,non-carcinogenic
+48414389,CC(CO)O,non-carcinogenic
+48414390,CC(COC(C)(C)C)O,non-carcinogenic
+48414391,CC1CO1,carcinogenic
+48414393,CCCC1=CC(=O)NC(=S)N1,carcinogenic
+48414395,CCNNC(=O)C1C(C(C2=CC3=C(C=C2C1C4=CC(=C(C(=C4)OC)OC)OC)OCO3)O)CO,non-carcinogenic
+48414396,C1=CC(=C(C=C1C(=O)O)O)O,non-carcinogenic
+48414397,C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])NN=C3C(=O)C=CC4=CC(=CC(=C43)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+],carcinogenic
+48414398,C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3O)O)O,carcinogenic
+48414399,C1=CN=C(C=N1)C(=O)N,non-carcinogenic
+48414400,C1=CC=NC=C1,carcinogenic
+48414401,CN(C)CCN(CC1=CC=C(C=C1)OC)C2=CC=CC=N2.C(=CC(=O)O)C(=O)O,carcinogenic
+48414402,CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl,non-carcinogenic
+48414403,C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O,carcinogenic
+48414404,C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O.O.O,non-carcinogenic
+48414406,CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CC3=CC=CC=C3CC2C(=O)O.Cl,non-carcinogenic
+48414407,C1=CC(=CC=C1NO)N=O,carcinogenic
+48414408,CN1C=C(C2=CC=CC=C21)C(=O)C3CCC4=C(C3)NC=N4.Cl,non-carcinogenic
+48414409,CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)N=NC3=C(C=C(C=C3)C4=CC(=C(C=C4)NN=C5C(=O)C=CC6=CC(=CC(=C65)S(=O)(=O)[O-])S(=O)(=O)[O-])C)C.[Na+].[Na+],carcinogenic
+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-carcinogenic
+48414411,CC1=CC(=C(C=C1)NN=C2C(=O)C=CC3=CC=CC=C32)[N+](=O)[O-],carcinogenic
+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-carcinogenic
+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+],carcinogenic
+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],carcinogenic
+48414415,C1=CC=C2C(=C1)C=CC(=C2S(=O)(=O)[O-])NN=C3C(=O)C=CC4=CC=CC=C43.[Na+],non-carcinogenic
+48414416,CC1=CC(=C(C=C1C)NN=C2C3=C(C=C(C=C3)S(=O)(=O)[O-])C=C(C2=O)S(=O)(=O)[O-])C.[Na+].[Na+],carcinogenic
+48414417,C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])NN=C3C4=C(C=C(C=C4)S(=O)(=O)[O-])C=C(C3=O)S(=O)(=O)[O-].[Na+].[Na+].[Na+],carcinogenic
+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-carcinogenic
+48414419,CC1=CC(=C(C=C1NN=C2C=C(C3=CC=CC=C3C2=O)S(=O)(=O)[O-])S(=O)(=O)[O-])C.[Na+].[Na+],carcinogenic
+48414420,CCN(CC)C1=C(C=C2C(=C1)OC3=CC(=[N+](CC)CC)C(=CC3=C2C4=C(C=C(C=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])C)C.[Na+],non-carcinogenic
+48414421,C1=CC(=C(C=C1N)[N+](=O)[O-])NCCO,non-carcinogenic
+48414422,COC1C(CC2CN3CCC4=C(C3CC2C1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC,carcinogenic
+48414423,C1=CC(=CC(=C1)O)O,non-carcinogenic
+48414424,CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C,non-carcinogenic
+48414425,CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCOC(=O)C)C)C,carcinogenic
+48414426,CCCCCCCCCCCCCCCC(=O)OCC=C(C)C=CC=C(C)C=CC1=C(CCCC1(C)C)C,non-carcinogenic
+48414427,CC=C1CC(C(C(=O)OCC2=CCN3C2C(CC3)OC1=O)(CO)O)C,carcinogenic
+48414428,CCNC1=C(C=C2C(=C1)OC3=CC(=NCC)C(=CC3=C2C4=CC=CC=C4C(=O)OCC)C)C.Cl,non-carcinogenic
+48414429,CC=C1CC(=C)C(C(=O)OCC2=CCN3C2C(CC3)OC1=O)(CO)O,carcinogenic
+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,non-carcinogenic
+48414431,CCN1C2=C(C(=N1)C)NC(=O)CN=C2C3=CC=CC=C3,non-carcinogenic
+48414432,CC1=CC(=C(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N)C=CC1=N.Cl,non-carcinogenic
+48414433,C1=CC(=N)C=CC1=C(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N.Cl,carcinogenic
+48414434,CC(=C)C1CC2=C(O1)C=CC3=C2OC4COC5=CC(=C(C=C5C4C3=O)OC)OC,non-carcinogenic
+48414435,CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O.OS(=O)(=O)O,non-carcinogenic
+48414436,CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O,non-carcinogenic
+48414437,C1=CC=C2C(=C1)C(=O)NS2(=O)=O,non-carcinogenic
+48414438,C1=CC=C2C(=C1)C(=NS2(=O)=O)[O-].C1=CC=C2C(=C1)C(=NS2(=O)=O)[O-].[Ca+2],non-carcinogenic
+48414439,C1=CC=C2C(=C1)C(=O)[N-]S2(=O)=O.[Na+],carcinogenic
+48414440,C=CCC1=CC2=C(C=C1)OCO2,carcinogenic
+48414441,CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O,carcinogenic
+48414442,C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NN=C3C=CC(=O)C(=C3)C(=O)O,carcinogenic
+48414444,CN1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4.O.O.O.Br,non-carcinogenic
+48414450,S=[Se],carcinogenic
+48414451,CC=C1CC(C(C(=O)OCC2=CCN(CCC(C2=O)OC1=O)C)(C)O)C,carcinogenic
+48414452,CNC1CCC(C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl.Cl,non-carcinogenic
+48414453,C1OC2=C(O1)C=C(C=C2)O,carcinogenic
+48414455,C(=O)(O)[O-].[Na+],non-carcinogenic
+48414457,[Na+].[Cl-],non-carcinogenic
+48414458,[O-]Cl=O.[Na+],non-carcinogenic
+48414459,CCC1=C(C2=CC3=NC(=CC4=NC(=C(C5=NC(=C(C5=C([O-])[O-])C)C=C1[N-]2)CC(=O)[O-])C(C4C)CCC(=O)[O-])C(=C3C=C)C)C.[Na+].[Na+].[Na+].[Cu+2],non-carcinogenic
+48414460,CCN(CC)C(=S)[S-].O.O.O.[Na+],non-carcinogenic
+48414461,[O-]Cl.[Na+],non-carcinogenic
+48414462,[O-]P(=O)=O.[Na+],non-carcinogenic
+48414463,CC=CC=CC(=O)O,non-carcinogenic
+48414464,CC(C)NCC(C1=CC=C(C=C1)NS(=O)(=O)C)O.Cl,non-carcinogenic
+48414466,COC1=C2C(=C3C4C=COC4OC3=C1)OC5=C(C2=O)C(=CC=C5)O,carcinogenic
+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-carcinogenic
+48414469,CN(C(=O)NC1C(C(C(OC1O)CO)O)O)N=O,carcinogenic
+48414471,C=CC1=CC=CC=C1,carcinogenic
+48414472,C1=CC=C(C=C1)C=C[N+](=O)[O-],non-carcinogenic
+48414473,C1C(O1)C2=CC=CC=C2,carcinogenic
+48414474,C1CC(=O)OC1=O,non-carcinogenic
+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-carcinogenic
+48414478,CCN(CC)C(=S)SCC(=C)Cl,carcinogenic
+48414481,CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)N,non-carcinogenic
+48414483,C1C=CCS1(=O)=O,non-carcinogenic
+48414484,CC(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C,carcinogenic
+48414485,CC1=C(C2=C(C1=CC3=CC=C(C=C3)S(=O)(=O)C)C=CC(=C2)F)CC(=O)O,non-carcinogenic
+48414486,CCCCC1(C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)COC(=O)CCC(=O)O,non-carcinogenic
+48414487,CC=C(C)C(=O)OC1CCN2C1C(=CC2)COC(=O)C(C(C)C)(C(C)O)O,carcinogenic
+48414489,COC1=CC=C(C=C1)C(=C(C2=CC=C(C=C2)OC)Cl)C3=CC=C(C=C3)OC,non-carcinogenic
+48414490,CN1C(=O)CC(NC1=O)C(=O)NC(CC2=CN=CN2)C(=O)N3CCCC3C(=O)N.O.O.O.O,non-carcinogenic
+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,carcinogenic
+48414494,C(CS(=O)(=O)O)N,non-carcinogenic
+48414495,C1CC(OC1)N2C=C(C(=O)NC2=O)F,non-carcinogenic
+48414497,C(C=CCl)Cl,carcinogenic
+48414497,C(C=CCl)Cl,carcinogenic
+48414500,CC(C)(C)NCC(C1=CC(=CC(=C1)O)O)O,carcinogenic
+48414501,C1=CC(=C(C=C1C2=CC(=C(C=C2)N)N)N)N.Cl.Cl.Cl.Cl,carcinogenic
+48414502,COC1=C(C(=C(C(=C1Cl)Cl)[N+](=O)[O-])Cl)Cl,non-carcinogenic
+48414503,C1=C(C(=CC(=C1Cl)N)Cl)C2=CC(=C(C=C2Cl)N)Cl,non-carcinogenic
+48414504,C1=C2C(=CC(=C1Cl)Cl)OC3=CC(=C(C=C3O2)Cl)Cl,carcinogenic
+48414506,C(C(Cl)(Cl)Cl)Cl,non-carcinogenic
+48414507,C(C(Cl)Cl)(Cl)Cl,non-carcinogenic
+48414508,C(=C(Cl)Cl)(Cl)Cl,carcinogenic
+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-carcinogenic
+48414511,CCN(CC)C(=S)SSC(=S)N(CC)CC,non-carcinogenic
+48414512,C1(=C(C(=C(C(=C1F)F)F)N)F)N.Cl.Cl,non-carcinogenic
+48414513,C(C(F)(F)F)F,carcinogenic
+48414514,C(=C(F)F)(F)F,carcinogenic
+48414515,C1CCON(C1)N=O,carcinogenic
+48414516,CCCCCC1=CC2=C(C3C=C(CCC3C(O2)(C)C)C)C(=C1)O,non-carcinogenic
+48414517,C1CCOC1,carcinogenic
+48414518,C1CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O,non-carcinogenic
+48414519,C(O)[P+](CO)(CO)CO.[Cl-],non-carcinogenic
+48414520,C(O)[P+](CO)(CO)CO.C(O)[P+](CO)(CO)CO.[O-]S(=O)(=O)[O-],non-carcinogenic
+48414521,CN(C)C(=S)SSC(=S)N(C)C,non-carcinogenic
+48414523,C([N+](=O)[O-])([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-],carcinogenic
+48414524,CN(C)CCN(CC1=CSC=C1)C2=CC=CC=N2,non-carcinogenic
+48414525,CN1C2=C(C(=O)N(C1=O)C)NC=N2,non-carcinogenic
+48414526,C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3,non-carcinogenic
+48414527,CS(=O)(=O)C1=CC=C(C=C1)C(C(CO)NC(=O)C(Cl)Cl)O,non-carcinogenic
+48414528,C1CN1P(=S)(N2CC2)N3CC3,carcinogenic
+48414529,CC(=S)N,carcinogenic
+48414530,CC1=CC(=C(C=C1SC2=CC(=C(C=C2C)O)C(C)(C)C)C(C)(C)C)O,non-carcinogenic
+48414532,C(#N)[S-].[Na+],non-carcinogenic
+48414533,C1=CC(=CC=C1N)SC2=CC=C(C=C2)N,carcinogenic
+48414534,C1C(C(OC1N2C=NC3=C2NC(=NC3=S)N)CO)O,carcinogenic
+48414535,C(=S)(N)NN,non-carcinogenic
+48414536,C1=CNC(=S)NC1=O,carcinogenic
+48414537,C(=S)(N)N,carcinogenic
+48414538,CCOC(=O)C1(CCC=CC1N(C)C)C2=CC=CC=C2.C(=CC(=O)O)C(=O)O,non-carcinogenic
+48414539,CC(C)(C)NCC(COC1=CN(C(=O)C2=CC=CC=C21)C)O.Cl,non-carcinogenic
+48414540,[Cl-].[Cl-].[Sn+2],non-carcinogenic
+48414541,O=[Ti]=O,non-carcinogenic
+48414543,C1C=CC=[C-]1.C1C=CC=[C-]1.[Cl-].[Cl-].[Ti+4],non-carcinogenic
+48414544,CC1=C(C(=C2CCC(OC2=C1C)(C)CCCC(C)CCCC(C)CCCC(C)C)C)O,non-carcinogenic
+48414545,CC1=C2C(=C(C(=C1C)OC(=O)C)C)CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C,non-carcinogenic
+48414547,CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN2CCCCCC2,non-carcinogenic
+48414548,CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)C,non-carcinogenic
+48414549,CC1=CC=CC=C1,carcinogenic
+48414550,CC1=C(C=C(C=C1)N=C=O)N=C=O,carcinogenic
+48414551,CC1=CC=CC=C1S(=O)(=O)N,carcinogenic
+48414552,CC1=CC(=CC=C1)N.Cl,non-carcinogenic
+48414553,CC1=CC=CC=C1N.Cl,carcinogenic
+48414554,CC1=CC=C(C=C1)N.Cl,non-carcinogenic
+48414555,CC1=CC=C(C=C1)NC(=O)N,non-carcinogenic
+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-carcinogenic
+48414557,C=C1C(C2(C(C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)(CCl)CCl,non-carcinogenic
+48414559,C1CN1C2=CC(=O)C(=C(C2=O)N3CC3)N4CC4,carcinogenic
+48414560,CC1(OC2CC3C4CCC5=CC(=O)C=CC5(C4(C(CC3(C2(O1)C(=O)CO)C)O)F)C)C,carcinogenic
+48414562,C1=CC=C(C=C1)C2=NC3=C(N=C2N)N=C(N=C3N)N,non-carcinogenic
+48414563,C(Br)(Br)Br,carcinogenic
+48414564,CCCCOP(=O)(OCCCC)OCCCC,carcinogenic
+48414565,CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)OC(=O)CCCCCCC,carcinogenic
+48414567,C(C(F)(Cl)Cl)(F)(F)Cl,non-carcinogenic
+48414568,C(=O)(C(Cl)(Cl)Cl)O,non-carcinogenic
+48414569,C1=C(C=C(C(=C1Cl)N)Cl)Cl,non-carcinogenic
+48414570,C(C(Cl)Cl)Cl,non-carcinogenic
+48414571,CC(Cl)(Cl)Cl,non-carcinogenic
+48414572,C(=C(Cl)Cl)Cl,carcinogenic
+48414572,C(=C(Cl)Cl)Cl,carcinogenic
+48414574,C(F)(Cl)(Cl)Cl,non-carcinogenic
+48414575,C1=CC=C2C(=C1)C(=O)N(C2=O)SC(Cl)(Cl)Cl,non-carcinogenic
+48414576,C1=C(C=C(C(=C1Cl)O)Cl)Cl,carcinogenic
+48414578,C1=C(C(=CC(=C1Cl)Cl)Cl)OCC(=O)O,non-carcinogenic
+48414579,COP(=O)(C(C(Cl)(Cl)Cl)O)OC,non-carcinogenic
+48414580,C(C(CCl)Cl)Cl,carcinogenic
+48414581,CC1=CC=C(C=C1)OP(=O)(OC2=CC=C(C=C2)C)OC3=CC=C(C=C3)C,non-carcinogenic
+48414582,C(CO)N(CCO)CCO,non-carcinogenic
+48414583,C(COCCOCCO)O,non-carcinogenic
+48414584,C1=C(OC(=C1)[N+](=O)[O-])C2=CSC(=N2)NC(=O)C(F)(F)F,carcinogenic
+48414585,CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-],non-carcinogenic
+48414586,CC1(C(=O)N(C(=O)O1)C)C,non-carcinogenic
+48414587,CC1=C(C(=O)C(=C(C1=O)C)C(CCCCCC(=O)O)C2=CC=CC=C2)C,non-carcinogenic
+48414588,CC1=CC(=C(C=C1C)N)C,carcinogenic
+48414589,CC1=CC(=C(C=C1C)N)C.Cl,carcinogenic
+48414590,CC1=CC(=C(C(=C1)C)N)C.Cl,carcinogenic
+48414591,C[As](=O)(C)C,carcinogenic
+48414592,CC1=CC(=C(C=C1)C)C,carcinogenic
+48414593,COP(=O)(OC)OC,non-carcinogenic
+48414594,CNC(=S)N(C)C,carcinogenic
+48414596,C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],non-carcinogenic
+48414597,C(C(CO[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-],carcinogenic
+48414599,C1=CC=C(C=C1)[Sn](C2=CC=CC=C2)C3=CC=CC=C3.O,non-carcinogenic
+48414600,CC1=CC=C(C=C1)C(=CCN2CCCC2)C3=CC=CC=N3.O.Cl,non-carcinogenic
+48414601,C(CCl)OP(=O)(OCCCl)OCCCl,carcinogenic
+48414603,C(C(CBr)Br)OP(=O)(OCC(CBr)Br)OCC(CBr)Br,carcinogenic
+48414604,C(C(CCl)OP(=O)(OC(CCl)CCl)OC(CCl)CCl)Cl,carcinogenic
+48414605,CCCCC(CC)COP(=O)(OCC(CC)CCCC)OCC(CC)CCCC,non-carcinogenic
+48414606,CC(CN(CC(C)O)CC(C)O)O,non-carcinogenic
+48414607,CCCCCCCCCCCCCCCC(=O)CC(=O)CCCCCCCCCCCCCCC,non-carcinogenic
+48414608,CC1=C(N=C(C2=C1NC3=CC=CC=C32)C)N.CC(=O)O,carcinogenic
+48414609,CC1=C2C3=CC=CC=C3NC2=CC(=N1)N.CC(=O)O,carcinogenic
+48414610,C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N,non-carcinogenic
+48414611,C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N,non-carcinogenic
+48414612,[O-][W](=O)(=O)[O-].[Na+].[Na+],non-carcinogenic
+48414613,COC1=C(C=CC(=C1)C=CC(=O)CC(=O)C=CC2=CC(=C(C=C2)O)OC)O,non-carcinogenic
+48414613,COC1=C(C=CC(=C1)C=CC(=O)CC(=O)C=CC2=CC(=C(C=C2)O)OC)O,non-carcinogenic
+48414616,C1=CNC(=O)NC1=O,carcinogenic
+48414617,CN1C(=CC(=O)N(C1=O)C)NCCCN2CCN(CC2)C3=CC=CC=C3OC,non-carcinogenic
+48414618,C(=O)(N)N,non-carcinogenic
+48414619,CCOC(=O)N,carcinogenic
+48414620,[O-]S(=O)(=O)[O-].O=[V+2],non-carcinogenic
+48414622,CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O,non-carcinogenic
+48414623,CC(=O)OC=C,carcinogenic
+48414624,C=CBr,carcinogenic
+48414626,C=CCl,carcinogenic
+48414627,C=CF,carcinogenic
+48414628,CC1=CC=CC(=C1)C=C,non-carcinogenic
+48414630,C=C(Cl)Cl,non-carcinogenic
+48414631,C=C(F)F,non-carcinogenic
+48414632,C=CN1CCCC1=O,carcinogenic
+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+],carcinogenic
+48414634,C1C(C(C(C(C1(CO)O)O)O)O)NC(CO)CO,non-carcinogenic
+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-carcinogenic
+48414638,CC1=C(C(=CC=C1)C)NC2=NCCCS2.Cl,non-carcinogenic
+48414639,CC1=CC(=CC=C1)C,carcinogenic
+48414639,CC1=CC(=CC=C1)C,carcinogenic
+48414641,CC1=CC(=C(C=C1)N)C.Cl,non-carcinogenic
+48414642,CC1=CC(=C(C=C1)C)N.Cl,carcinogenic
+48414643,CC1=CC(=NNC2=CC=C(C=C2)NC(=O)C)C(=O)C=C1,carcinogenic
+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-carcinogenic
+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-carcinogenic
+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-carcinogenic
+48414647,C1=CC=C2C(=C1)C3=C4C(=CC=C5C4=C(C=C3)C(=O)C6=CC=CC=C65)C2=O,non-carcinogenic
+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-carcinogenic
+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-carcinogenic
+48414651,C1=CC(=C(C=C1[N+](=O)[O-])OCCO)NCCO,non-carcinogenic
+48414652,CC1(CC2=C(O1)C(=CC(=C2)Cl)C(=O)NC3CC4CCC(C3)N4C)C.C(=CC(=O)O)C(=O)O,non-carcinogenic
+48414653,CC1CCCC(=O)CCCC=CC2=CC(=CC(=C2C(=O)O1)O)O,non-carcinogenic
+48414654,CC(=O)[O-].CC(=O)[O-].O.O.[Zn+2],non-carcinogenic
+48414657,CN(C)C(=S)[S-].CN(C)C(=S)[S-].[Zn+2],carcinogenic
+48414658,C(CNC(=S)[S-])NC(=S)[S-].[Zn+2],carcinogenic
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
-48413473,CC1C=C(C(=O)OC2CC[N+]3(C2(C(=CC3)COC(=O)C1(C)OC(=O)C)[O-])C)C=C,carcinogen
-48413475,CCOC(=O)C(C)(C)OC1=CC=C(C=C1)Cl,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
-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,carcinogen
-48413489,CC1=CC(=C(C=C1)OC)N,carcinogen
-48413491,C1=CC=C(C=C1)N(N=O)[O-].[NH4+],carcinogen
-48413494,C(#N)N=C(N)N,non-carcinogen
-48413495,C1CCC(CC1)NS(=O)(=O)[O-].[Na+],carcinogen
-48413497,C1=CN2C3C(C(C(O3)CO)O)OC2=NC1=N,non-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
-48413504,COC1=C(C=C(C=C1)C(=O)NC2=C(C=NC=C2Cl)Cl)OC3CCCC3,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
-48413508,C(C(C(=O)O)N)S.Cl,non-carcinogen
-48413509,COC1=CC=C(C=C1)C(=O)C(=CC(=O)[O-])Br.[Na+],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,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,carcinogen
-48413517,C1(=C(C(=C(C(=C1Br)Br)Br)Br)Br)OC2=C(C(=C(C(=C2Br)Br)Br)Br)Br,carcinogen
-48413520,CC12CCC3C(C1CCC2=O)CC=C4C3(CCC(C4)O)C,carcinogen
-48413521,CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4=O)C)C,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
-48413531,CC(=O)N(C1=CC=CC2=C1CC3=CC=CC=C32)C(=O)C,carcinogen
-48413532,CC(=O)NNC(=O)C,non-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
-48413537,C=CCN(CC=C)N=O,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
-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
-48413561,CCCC[Sn](CCCC)(OC(=O)C)OC(=O)C,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
-48413574,C1=CC(=C(C=C1C2=CC(=C(C=C2)N)Cl)Cl)N,carcinogen
-48413576,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
-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
-48413603,CCN(CC)C(=O)C1=CC(=CC=C1)C,non-carcinogen
-48413604,CCOP(=S)(OCC)OC1=NC(=C(C=C1Cl)Cl)Cl,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,carcinogen
-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
-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,carcinogen
-48413649,CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2.Cl,non-carcinogen
-48413650,CN(C)CNC1=NN=C(O1)C=CC2=CC=C(O2)[N+](=O)[O-],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
-48413654,CC[NH2+]C(=O)N(CCN(C)C)N=O.N(=O)[O-],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
-48413663,CCCCCCCCCCCC[N+](C)(C)[O-],non-carcinogen
-48413664,CN(C)C=O,non-carcinogen
-48413665,CN(C)N,carcinogen
-48413666,CNNC.Cl.Cl,carcinogen
-48413667,CN(C)NC1=NC(=CS1)C2=CC=C(O2)[N+](=O)[O-],carcinogen
-48413668,CN(C)[N+](=O)[O-],carcinogen
-48413670,CC(=CCl)C,carcinogen
-48413671,CC(C)(C)C1=CC(=CC(=C1OS(=O)(=O)C)[N+](=O)[O-])[N+](=O)[O-],non-carcinogen
-48413672,CCCCCCC(C)C1=CC(=CC(=C1OC(=O)C=CC)[N+](=O)[O-])[N+](=O)[O-],non-carcinogen
-48413676,C1CN(CCN(C1)N=O)N=O,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
-48413687,CCCCCN(CCCCC)N=O,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
-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
-48413696,C1=NC(=O)C2=C(N1)N(C=N2)C3C(C(C(O3)COP(=O)([O-])[O-])O)O.[Na+].[Na+],non-carcinogen
-48413697,C(=S)(N)NNC(=S)N,non-carcinogen
-48413700,CCCCCCCCCCCCN=C(N)N.CC(=O)O,non-carcinogen
-48413703,C1=CC=C(C(=C1)C2=NC(C(=O)N(C3=C2C=C(C=C3)Cl)CCO)O)F,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
-48413719,CC12CCC3C(C1CCC2(C#C)O)CCC4=C3CCC(=O)C4,non-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,carcinogen
-48413724,CCC1CO1,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
-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
-48413734,CCSCCC(C(=O)O)N,carcinogen
-48413737,CCOC1=CC2=C(C=C1)NC(C=C2C)(C)C,non-carcinogen
-48413738,CCOC(=O)C=C,carcinogen
-48413739,CCO,carcinogen
-48413740,CCN=[N+](CC)[O-],carcinogen
-48413741,CC[N+](=NC)[O-],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
-48413746,CCOC(=O)C1C(O1)(C)C2=CC=CC=C2,non-carcinogen
-48413747,CCN(C(=N[N+](=O)[O-])N)N=O,carcinogen
-48413748,CCN(C(=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
-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
-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
-48413764,CCN(C(=O)NCCO)N=O,carcinogen
-48413765,CCN(C(=O)NCC(=O)C)N=O,carcinogen
-48413766,CCN(C#N)N=O,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
-48413772,COC1=C(C=CC(=C1)CC=C)O,non-carcinogen
-48413773,C1CC(N2C=NC=C2C1)C3=CC=C(C=C3)C#N.Cl,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
-48413777,[Cl-].[Cl-].[Cl-].[Fe+3],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
-48413781,CC(=O)O.C1CCNC(C1)CNC(=O)C2=C(C=CC(=C2)OCC(F)(F)F)OCC(F)(F)F,non-carcinogen
-48413783,CN(C)C(=O)NC1=CC=CC(=C1)C(F)(F)F,non-carcinogen
-48413784,C1C2=CC=CC=C2C3=C1C=C(C=C3)NC(=O)C(F)(F)F,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
-48413807,CC(C)(CCCCCCC(C)(C)CO)CO,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
-48413817,C1=CC(=CC=C1CO)NNC(=O)CCC(C(=O)O)N,non-carcinogen
-48413818,C(CC=O)CC=O,non-carcinogen
-48413821,C(C(CCl)O)O,non-carcinogen
-48413823,C1C(O1)CO,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+],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
-48413837,C1CCCNCCC1,non-carcinogen
-48413839,C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)Cl,carcinogen
-48413840,C(=C(Cl)Cl)(C(=C(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
-48413851,C(N(CO)C1=NC(=NC(=N1)N(CO)CO)N(CO)CO)O,carcinogen
-48413853,CCCCCC=NN(C)C=O,carcinogen
-48413857,CCCCCCN(C(=O)N)N=O,carcinogen
-48413858,CCCCCCC1=C(C=C(C=C1)O)O,non-carcinogen
-48413859,C1=C(NC=N1)CC(C(=O)O)N.Cl,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
-48413868,C1=CC(=CC=C1C(=O)O)NN.Cl,carcinogen
-48413869,C1=CC=C(C=C1)NNC2=CC=CC=C2,carcinogen
-48413871,C(C(F)(F)F)(Cl)Cl,carcinogen
-48413872,C1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl,non-carcinogen
-48413873,CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)CO)O)C)O,non-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
-48413881,C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)O,carcinogen
-48413884,CCNC(=O)N(CCO)N=O,carcinogen
-48413885,C(CO)N(C(=O)N)N=O,carcinogen
-48413888,C(CN(C(=O)N)N=O)CO,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
-48413895,C(C(=O)O)NCC(=O)[O-].[Na+],non-carcinogen
-48413897,C1=CC=C2C(=C1)C(=CN2)CC(=O)O,non-carcinogen
-48413898,CC1(C2=C(C=CC(=C2)C3=NNC(=O)CC3)NC1=O)C,carcinogen
-48413900,CC(C1OCC(O1)CO)I,carcinogen
-48413902,C(I)(I)I,non-carcinogen
-48413903,CCN(CC)CCCNC(=O)CN1C(=C(C=N1)C2=CC=CC=C2)C3=CC=CC=C3.C(=CC(=O)O)C(=O)O,non-carcinogen
-48413904,CN1C2=C(C3=C(C=C2)N=CC=C3)N=C1N,carcinogen
-48413905,CN1C2=C(C3=C(C=C2)N=CC=C3)N=C1N.Cl,carcinogen
-48413907,CC=C1CC(C(C(=O)OCC2=CC[N+]3(C2C(CC3)OC1=O)[O-])(CO)O)C,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
-48413915,COC1=C(C=CC(=C1)S(=O)C)C2=NC3=C(N2)C=NC=C3,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,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
-48413930,CC1CC=CC=CC(C(CC(C(C(C(CC(=O)O1)OC(=O)C)OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)OC(=O)CC(C)C)(C)O)N(C)C)O)CC=O)C)O,non-carcinogen
-48413931,C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O,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
-48413936,CC=C(C)C(=O)OC1CCN2C1C(=CC2)COC(=O)C(C(C)OC)(C(C)(C)O)O,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
-48413941,CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O.Cl,non-carcinogen
-48413943,CC(CCC(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C,non-carcinogen
-48413945,CC(C1=NCCN1)OC2=C(C=CC=C2Cl)Cl.Cl,non-carcinogen
-48413946,C1=CC=C2C(=C1)C(=NN2CC3=C(C=C(C=C3)Cl)Cl)C(=O)O,non-carcinogen
-48413947,CN1C(=C(C2=C(S1(=O)=O)C=C(S2)Cl)O)C(=O)NC3=CC=CC=N3,non-carcinogen
-48413948,CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)C,carcinogen
-48413949,CN1C(=NC(=N1)CO)NCCCOC2=CC=CC(=C2)CN3CCCCC3,carcinogen
-48413950,CC1=NC=C(C=C1)CC2=CN=C(NC2=O)NCCSCC3=CC=C(O3)CN(C)C.Cl.Cl.Cl,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
-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
-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
-48413967,CC1=CN=C(S1)NC(=O)C2=C(C3=CC=CC=C3S(=O)(=O)N2C)O,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,carcinogen
-48413972,C1=CC=C2C(=C1)N=C(S2)[S-].C1=CC=C2C(=C1)N=C(S2)[S-].[Zn+2],non-carcinogen
-48413974,C1=NC2=C(N1)C(=S)N=CN2,non-carcinogen
-48413978,CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)OC,non-carcinogen
-48413980,CC(=C)C#N,non-carcinogen
-48413981,CN(C)CCN(CC1=CC=CO1)C2=CC=CC=N2,non-carcinogen
-48413982,CN(C)CCN(CC1=CC=CS1)C2=CC=CC=C2,non-carcinogen
-48413983,CN(C)CCN(CC1=CC=CS1)C2=CC=CC=N2.Cl,carcinogen
-48413985,CN1C=CNC1=S,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
-48413990,COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)N,carcinogen
-48413992,COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)C(Cl)(Cl)Cl,non-carcinogen
-48413993,COC1=CC=C(C=C1)O,carcinogen
-48413994,COC(C1=CC=CC=C1)C(=O)O,non-carcinogen
-48413995,COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2,carcinogen
-48413996,CCN=[N+](C)[O-],carcinogen
-48413997,CBr,non-carcinogen
-48413998,CC(C)(C)OC,carcinogen
-48413999,COC(=O)N,carcinogen
-48414000,COC(=O)NN,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
-48414015,CN(C1=CC=C(C=C1)C=CC2=CC=NC3=CC=CC=C23)N=O,carcinogen
-48414016,CN(C(=O)C1=CC=CC=C1)N=O,carcinogen
-48414017,CN(C(=O)NCCCC(C(=O)O)N)N=O,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
-48414026,CC(C)CC=NN(C)C=O,carcinogen
-48414027,CC1=CC(=C(C=C1)O)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
-48414030,CC(C)C(=O)OC1=C(C=C(C=C1)CCNC)OC(=O)C(C)C.Cl,non-carcinogen
-48414031,C1=CC(=C(C=C1CC2=CC(=C(C=C2)N)Cl)Cl)N,carcinogen
-48414033,CC1=C(C=CC(=C1)CC2=CC(=C(C=C2)N)C)N,carcinogen
-48414034,C(Cl)Cl,carcinogen
-48414035,CN(C)C1=CC=C(C=C1)CC2=CC=C(C=C2)N(C)C,carcinogen
-48414036,CC1=CC(=C(C(=C1)C(C)(C)C)O)CC2=C(C(=CC(=C2)C)C(C)(C)C)O,non-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
-48414048,CN[N+](=O)[O-],carcinogen
-48414049,CN(CCCC(C1=CN=CC=C1)O)N=O,carcinogen
-48414050,CN(CCCC(=O)C1=CN=CC=C1)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
-48414056,CC1=CC2=C(C=C1)N=CC=C2,non-carcinogen
-48414057,CC1=CC=CC2=C1N=CC=C2,non-carcinogen
-48414058,CC1=CC=C(C=C1)C=C,non-carcinogen
-48414060,CC1=CC2=C(C=C1)SC3=CC=CC=C3N=C2N4CCN(CC4)C,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
-48414068,CC1=C(C(=O)C2=C(C1=O)N3CC4C(C3(C2COC(=O)N)OC)N4)N,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
-48414075,C(C(C(=O)[O-])N)C(=O)O.[Na+],non-carcinogen
-48414077,C(CC(=O)O)C(C(=O)[O-])N.[Na+],non-carcinogen
-48414078,C(CC(=O)[O-])C(=O)O.[Na+],non-carcinogen
-48414080,C1COCCN1CC2CN(C(=O)O2)N=CC3=CC=C(O3)[N+](=O)[O-].Cl,carcinogen
-48414082,CC(C)(C(=O)O)OC1=CC=C(C=C1)C2CCCC3=CC=CC=C23,carcinogen
-48414083,CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)O,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
-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
-48414096,[Ni],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
-48414101,CN1CCCC1C2=CN=CC=C2,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
-48414107,CCNC(=O)NC1=NC=C(S1)[N+](=O)[O-],carcinogen
-48414108,[N+](=O)([O-])[O-].[Na+],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+],carcinogen
-48414112,N(=O)[O-].[Na+],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
-48414120,CC(=O)NCC1=NC(=NO1)C2=CC=C(O2)[N+](=O)[O-],carcinogen
-48414121,CC(=O)NC1=NN=C(S1)C2=CC=C(O2)[N+](=O)[O-],carcinogen
-48414122,C1=C(OC(=C1)[N+](=O)[O-])C2=CSC=N2,carcinogen
-48414123,CC(=O)NC1=NC(=CS1)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
-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
-48414140,CC[N+](=O)[O-],non-carcinogen
-48414141,C1=CC(=CC=C1[N+](=O)[O-])OC2=C(C=C(C=C2)Cl)Cl,carcinogen
-48414142,C1C2=CC=CC=C2C3=C1C=C(C=C3)[N+](=O)[O-],carcinogen
-48414143,C1C(=O)NC(=O)N1N=CC2=CC=C(O2)[N+](=O)[O-],carcinogen
-48414144,C1CN(C(=O)N1)N=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
-48414151,CCC[N+](=O)[O-],non-carcinogen
-48414152,CC(C)[N+](=O)[O-],non-carcinogen
-48414153,C(C[N+](=O)[O-])C(=O)O,non-carcinogen
-48414154,C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)[N+](=O)[O-],carcinogen
-48414155,C1=CC2=C(C=CC(=C2)[N+](=O)[O-])N=C1,non-carcinogen
-48414156,C1=CC2=C(C(=C1)[N+](=O)[O-])N=CC=C2,carcinogen
-48414158,C(CC(F)(F)F)CN(CCCC(F)(F)F)N=O,carcinogen
-48414159,CC1CN(C(=O)NC1=O)N=O,non-carcinogen
-48414160,C1CN(C(=O)NC1=O)N=O,carcinogen
-48414161,CC(CN(CC(CO)O)N=O)O,carcinogen
-48414162,CC(=O)CN(CC(CO)O)N=O,carcinogen
-48414165,C(CCl)NC(=O)N(CCO)N=O,carcinogen
-48414167,CC(CN(C(=O)NCCCl)N=O)O,carcinogen
-48414168,CC(CN(CCO)N=O)O,carcinogen
-48414171,CCCCCCCCCCCCN(C)N=O,carcinogen
-48414174,CN(CCC1=CC=CC=C1)N=O,carcinogen
-48414175,CCCCCCCCCCCCCCN(C)N=O,carcinogen
-48414176,CCCCCCCCCCN(C)N=O,carcinogen
-48414177,CN(C(=O)N)N=O,carcinogen
-48414178,C1COC(=O)N1N=O,carcinogen
-48414179,CC(=O)CN(CCO)N=O,carcinogen
-48414181,C1CN(CC=C1)N=O,carcinogen
-48414182,CCN(CC(F)(F)F)N=O,carcinogen
-48414184,CC1CN(CC(N1C)C)N=O,carcinogen
-48414185,C=CCN(CC(CO)O)N=O,carcinogen
-48414186,CC(CN(CC=C)N=O)O,carcinogen
-48414187,CC(=O)CN(CC=C)N=O,carcinogen
-48414188,C=CCN(CCO)N=O,carcinogen
-48414189,CCCCCN(C(=O)OCC)N=O,carcinogen
-48414190,C1CCN(C(C1)C2=CN=CC=C2)N=O,carcinogen
-48414192,CC(CN(CC(C)O)N=O)O,carcinogen
-48414193,CC(=O)CN(CC(=O)C)N=O,carcinogen
-48414194,C(C(F)(F)F)N(CC(F)(F)F)N=O,non-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
-48414198,C(CO)N(CCO)N=O,carcinogen
-48414199,CCN(CC)N=O,carcinogen
-48414200,CN(C)N=O,carcinogen
-48414201,C1=CC=C(C=C1)N(C2=CC=CC=C2)N=O,carcinogen
-48414202,C1=CC=C(C=C1)NC2=CC=C(C=C2)N=O,carcinogen
-48414203,CCCN(CCC)N=O,carcinogen
-48414205,C1CCCCCCN(CCCCC1)N=O,carcinogen
-48414206,CC(C(C1=CC=CC=C1)O)N(C)N=O,carcinogen
-48414207,CCN(C)N=O,carcinogen
-48414208,CCN(C(=O)OCC)N=O,carcinogen
-48414210,C1CCCN(CCC1)N=O,carcinogen
-48414211,C1CCCN(CC1)N=O,carcinogen
-48414212,C1C(=O)NC(=O)N1N=O,carcinogen
-48414213,C1C(CN(C1C(=O)O)N=O)O,non-carcinogen
-48414214,C(C(=O)O)N(CC(=O)O)N=O,non-carcinogen
-48414216,CN(CC(CO)O)N=O,carcinogen
-48414217,CN(CCO)N=O,carcinogen
-48414218,CN(CCCO)N=O,carcinogen
-48414219,CC(CN(C)N=O)O,carcinogen
-48414220,CC(=O)CN(C)N=O,carcinogen
-48414221,CC1=CC=C(C=C1)S(=O)(=O)OCCN(C)N=O,carcinogen
-48414225,CN(C1=CC=CC=C1)N=O,carcinogen
-48414226,COC(=O)C(C1CCCCN1N=O)C2=CC=CC=C2,non-carcinogen
-48414227,CCCCCCCCCCCN(C)N=O,carcinogen
-48414228,C1COCCN1N=O,carcinogen
-48414229,C1CC(N(C1)N=O)C2=CN=CC=C2,carcinogen
-48414230,C1CC(N(C1)N=O)C2=C[N+](=CC=C2)[O-],carcinogen
-48414231,C1CCN(C(C1)C(=O)O)N=O,non-carcinogen
-48414232,C1CN(CCN1)N=O,carcinogen
-48414233,C1CCN(CC1)N=O,carcinogen
-48414234,C1CC(N(C1)N=O)C(=O)O,non-carcinogen
-48414235,C1CCN(C1)N=O,carcinogen
-48414236,CC1N(C(SC(S1)C)C)N=O,carcinogen
-48414237,C1CSCCN1N=O,carcinogen
-48414238,CC1=CC=CC=C1N=O,carcinogen
-48414239,CC1=CC=CC=C1[N+](=O)[O-],carcinogen
-48414241,N#[N+][O-],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
-48414252,CCCCCCCCC=CCCCCCCCC(=O)[O-].[Na+],non-carcinogen
-48414254,CC1=C(SSC1=S)C2=NC=CN=C2,non-carcinogen
-48414255,CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC,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
-48414260,CNCC1=CC=C(O1)CSCCNC(=NCC(C2=CC=C(C=C2)O)O)NS(=O)(=O)C,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
-48414264,CC(=O)NC1=CC2=C(C=C1)C3=CC=CC=C3C2=O,carcinogen
-48414266,CC(=O)CN(C(=O)NCCCl)N=O,carcinogen
-48414267,CC(=O)CN(C(=O)N)N=O,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
-48414271,C1COCCN1C(=S)SN2CCOCC2,carcinogen
-48414272,C1COCCN1SC2=NC3=CC=CC=C3S2,non-carcinogen
-48414273,CC12CCC3C(C1CCC2(C)O)CCC4C3(CC(=CO)C(=O)C4)C,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
-48414276,CC1=C(C(C(=C(N1)C)C(=O)OCC(C)(C)CN(C)CC2=CC=CC=C2)C3=C(C=CC(=C3)[N+](=O)[O-])F)C(=O)OC.Cl,non-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
-48414283,C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)O,carcinogen
-48414283,C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)O,carcinogen
-48414283,C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)O,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
-48414291,C1CCC(CC1)C(CC2CCCCN2)C3CCCCC3.C(=CC(=O)O)C(=O)O,non-carcinogen
-48414292,CC1CC2(C(O2)C)C(=O)OC3CCN(CC=C(C3=O)COC(=O)C1(C)O)C,carcinogen
-48414293,CCOC1=CC=C(C=C1)NC(=O)C,carcinogen
-48414294,CC1=CC(=O)N(N1C)C2=CC=CC=C2,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,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
-48414316,C1=CC(=CC=C1N)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
-48414323,C1C(O1)COC2=CC=CC=C2,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
-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+],carcinogen
-48414333,CN1C2=C(N=CC(=C2)C3=CC=CC=C3)N=C1N.Cl,carcinogen
-48414335,CCN(CC)C(=O)C(=C(C)OP(=O)(OC)OC)Cl,non-carcinogen
-48414336,P,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
-48414341,CCC1C(COC1=O)CC2=CN=CN2C,non-carcinogen
-48414342,CC1CC=CC=CC=CC=CC(CC2C(C(CC(O2)(CC(CC3C(O3)C=CC(=O)O1)O)O)O)C(=O)O)OC4C(C(C(C(O4)C)O)N)O,non-carcinogen
-48414343,C1CNCCN1,non-carcinogen
-48414344,C1CCNCC1,non-carcinogen
-48414345,CCCCOCCOCCOCC1=CC2=C(C=C1CCC)OCO2,carcinogen
-48414345,CCCCOCCOCCOCC1=CC2=C(C=C1CCC)OCO2,carcinogen
-48414348,CC1CCCC(N1CCCC(C2=CC=CC=C2)(C3=CC=CC=N3)O)C.Cl,non-carcinogen
-48414350,CC1(COC1=O)C,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
-48414358,C(=O)(O)[O-].[K+],carcinogen
-48414359,[Cl-].[K+],non-carcinogen
-48414360,[K+].[I-],carcinogen
-48414361,CC(C)NCC(COC1=CC=C(C=C1)NC(=O)C)O,non-carcinogen
-48414362,C1=CC=C(C=C1)CCCCOC2=CC=C(C=C2)C(=O)NC3=CC=CC4=C3OC(=CC4=O)C5=NNN=N5.C1=CC=C(C=C1)CCCCOC2=CC=C(C=C2)C(=O)NC3=CC=CC4=C3OC(=CC4=O)C5=NNN=N5.O,non-carcinogen
-48414363,C1CC1CN2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4,non-carcinogen
-48414364,C1CCC(CC1)C(=O)N2CC3C4=CC=CC=C4CCN3C(=O)C2,non-carcinogen
-48414367,CC12CC(=O)C3C(C1CCC2(C(=O)CO)O)CCC4=CC(=O)C=CC34C,non-carcinogen
-48414368,CC12CCC3C(=CCC4=C3C=CC(=C4)OS(=O)(=O)[O-])C1CCC2=O.[Na+],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
-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
-48414378,C1COS(=O)(=O)C1,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
-48414387,CCCN(C(=O)N)N=O,carcinogen
-48414388,CC=C,non-carcinogen
-48414389,CC(CO)O,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,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,carcinogen
-48414404,C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)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
-48414408,CN1C=C(C2=CC=CC=C21)C(=O)C3CCC4=C(C3)NC=N4.Cl,non-carcinogen
-48414409,CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)N=NC3=C(C=C(C=C3)C4=CC(=C(C=C4)NN=C5C(=O)C=CC6=CC(=CC(=C65)S(=O)(=O)[O-])S(=O)(=O)[O-])C)C.[Na+].[Na+],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],carcinogen
-48414415,C1=CC=C2C(=C1)C=CC(=C2S(=O)(=O)[O-])NN=C3C(=O)C=CC4=CC=CC=C43.[Na+],non-carcinogen
-48414416,CC1=CC(=C(C=C1C)NN=C2C3=C(C=C(C=C3)S(=O)(=O)[O-])C=C(C2=O)S(=O)(=O)[O-])C.[Na+].[Na+],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
-48414420,CCN(CC)C1=C(C=C2C(=C1)OC3=CC(=[N+](CC)CC)C(=CC3=C2C4=C(C=C(C=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])C)C.[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
-48414425,CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCOC(=O)C)C)C,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
-48414431,CCN1C2=C(C(=N1)C)NC(=O)CN=C2C3=CC=CC=C3,carcinogen
-48414432,CC1=CC(=C(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N)C=CC1=N.Cl,non-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
-48414435,CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O.OS(=O)(=O)O,non-carcinogen
-48414436,CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O,non-carcinogen
-48414437,C1=CC=C2C(=C1)C(=O)NS2(=O)=O,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
-48414444,CN1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4.O.O.O.Br,non-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
-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
-48414459,CCC1=C(C2=CC3=NC(=CC4=NC(=C(C5=NC(=C(C5=C([O-])[O-])C)C=C1[N-]2)CC(=O)[O-])C(C4C)CCC(=O)[O-])C(=C3C=C)C)C.[Na+].[Na+].[Na+].[Cu+2],non-carcinogen
-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
-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
-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
-48414486,CCCCC1(C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)COC(=O)CCC(=O)O,non-carcinogen
-48414487,CC=C(C)C(=O)OC1CCN2C1C(=CC2)COC(=O)C(C(C)C)(C(C)O)O,carcinogen
-48414488,CC1=CC2C(CC1OC(=O)CC(C)C)(C3(C(C(C(C34CO4)O2)O)OC(=O)C)C)COC(=O)C,carcinogen
-48414489,COC1=CC=C(C=C1)C(=C(C2=CC=C(C=C2)OC)Cl)C3=CC=C(C=C3)OC,non-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
-48414494,C(CS(=O)(=O)O)N,non-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
-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
-48414612,[O-][W](=O)(=O)[O-].[Na+].[Na+],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
-48414617,CN1C(=CC(=O)N(C1=O)C)NCCCN2CCN(CC2)C3=CC=CC=C3OC,non-carcinogen
-48414618,C(=O)(N)N,non-carcinogen
-48414619,CCOC(=O)N,carcinogen
-48414620,[O-]S(=O)(=O)[O-].O=[V+2],non-carcinogen
-48414621,CN(C)C(=S)SSC(=S)N(C)C,non-carcinogen
-48414623,CC(=O)OC=C,carcinogen
-48414624,C=CBr,carcinogen
-48414625,C=COC(=O)N,carcinogen
-48414626,C=CCl,carcinogen
-48414627,C=CF,carcinogen
-48414628,CC1=CC=CC(=C1)C=C,non-carcinogen
-48414630,C=C(Cl)Cl,carcinogen
-48414631,C=C(F)F,non-carcinogen
-48414632,C=CN1CCCC1=O,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+],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
-48414639,CC1=CC(=CC=C1)C,carcinogen
-48414639,CC1=CC(=CC=C1)C,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
-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
-48414652,CC1(CC2=C(O1)C(=CC(=C2)Cl)C(=O)NC3CC4CCC(C3)N4C)C.C(=CC(=O)O)C(=O)O,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],carcinogen
-48414660,[B-](F)(F)(F)F.C1=CC=C(C=C1)[N+]#N,non-carcinogen
-48414662,CN(C)CCN(C)N=O,carcinogen
-48414663,CC1CN(CC(O1)C)N=O,carcinogen
-48414665,CCOC(=O)N(C)N=O,carcinogen
-48414666,C1COCN1N=O,carcinogen
-48414667,C1=CC=C(C=C1)CCN(C(=O)N)N=O,carcinogen
-48414669,[B-](F)(F)(F)F.[Na+],non-carcinogen
-48414670,CC(=O)NC1=CC2=C(C=C1)C3=C(C2)C=C(C=C3)NC(=O)C,non-carcinogen
-48414671,CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)CO)O)N)O,non-carcinogen
-48414672,C[N+](=NCOC1C(C(C(C(O1)CO)O)O)O)[O-],carcinogen
+48413127,C1=CC=C2C(=C1)C3=C(N2)N=C(C=C3)N,carcinogenic
+48413128,CC1=CC(=O)[N-]S(=O)(=O)O1.[K+],non-carcinogenic
+48413129,CC=O,carcinogenic
+48413130,CC=NN(C)C=O,carcinogenic
+48413132,CC(=O)N,carcinogenic
+48413133,CC(=O)NC1=CC=C(C=C1)O,carcinogenic
+48413134,CC(=O)C1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2CCCCC2,non-carcinogenic
+48413136,CC#N,non-carcinogenic
+48413139,CC(=O)NNC1=CC=C(C=C1)CO,carcinogenic
+48413140,CC(=O)NNC(=O)C1=CC=NC=C1,carcinogenic
+48413141,CC1=CC(=O)C(C(=O)O1)C(=O)C,non-carcinogenic
+48413142,CC(=O)NNC1=CC=CC=C1,carcinogenic
+48413145,CC(=O)NC1=CC2=C(C=C1)C3=CC=CC=C3C2,carcinogenic
+48413147,CC(=O)NC1=CC=C(C=C1)CC(=O)O,non-carcinogenic
+48413149,C1=CC(=C(C=C1C(F)(F)F)Cl)OC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O,carcinogenic
+48413150,C=CC=O,non-carcinogenic
+48413151,CCOC(C=C)OCC,non-carcinogenic
+48413152,C=CC=NO,non-carcinogenic
+48413153,CC1(C=CC2=C3C(=C(C=C2O1)OC)C(=O)C4=CC=CC=C4N3C)C,carcinogenic
+48413154,C=CC(=O)N,carcinogenic
+48413155,C=CC(=O)O,non-carcinogenic
+48413156,C=CC#N,carcinogenic
+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,carcinogenic
+48413159,C(CCC(=O)N)CC(=O)N,non-carcinogenic
+48413160,C1=COC(=C1)C(=CC2=CC=C(O2)[N+](=O)[O-])C(=O)N,carcinogenic
+48413162,COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4C5C=COC5OC4=C1,carcinogenic
+48413163,COC1=C2C3=C(C(=O)OCC3)C(=O)OC2=C4C5C=COC5OC4=C1,carcinogenic
+48413165,C=CCOC1=C(C=C(C=C1)CC(=O)O)Cl,non-carcinogenic
+48413166,CC(C)(C=NOC(=O)NC)SC,non-carcinogenic
+48413168,CCCCCCCCCCC(C)C1=CC=C(C=C1)S(=O)(=O)[O-].[Na+],non-carcinogenic
+48413169,CCCCCCCCCC[N+](C)(C)[O-],non-carcinogenic
+48413170,C1(C(=O)NC(=O)N1)NC(=O)N,non-carcinogenic
+48413171,C=CCO,non-carcinogenic
+48413172,C=CCCl,non-carcinogenic
+48413175,CC(C)CC(=O)OCC=C,carcinogenic
+48413176,C=CCN(C(=O)N)N=O,carcinogenic
+48413177,C=CCNN.Cl,carcinogenic
+48413178,[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3].[K+],non-carcinogenic
+48413179,C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3Br)Br)N,carcinogenic
+48413181,CCN1C2=C(C=C(C=C2)N)C3=CC=CC=C31.Cl,carcinogenic
+48413182,CCN1C2=C(C=C(C=C2)N)C3=CC=CC=C31,carcinogenic
+48413183,C1=C(N=C(S1)N=C(N)N)CSCCNC2=NSN=C2N,carcinogenic
+48413184,CC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)N,carcinogenic
+48413185,C1=C(OC(=C1)[N+](=O)[O-])C2=NN=C(O2)N,carcinogenic
+48413186,C1=C(OC(=C1)[N+](=O)[O-])C2=NN=C(S2)N,carcinogenic
+48413187,C1=C(OC(=C1)[N+](=O)[O-])C2=CSC(=N2)N,carcinogenic
+48413188,C1=C(OC(=C1)[N+](=O)[O-])C=CC2=NOC(=N2)N,carcinogenic
+48413193,C1=C(SC(=N1)N)[N+](=O)[O-],carcinogenic
+48413195,C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)N,carcinogenic
+48413196,CC1=CC=CC=C1N=NC2=CC(=C(C=C2)N)C,carcinogenic
+48413198,C1=CC=C(C=C1)C2=CC=C(C=C2)N,carcinogenic
+48413200,C1=CC=C2C(=C1)C3=C(O2)C=CC(=C3)N,carcinogenic
+48413202,C1=CC(=CC=C1N)N(CCO)CCO.OS(=O)(=O)O,non-carcinogenic
+48413203,C1=NNC(=N1)N,carcinogenic
+48413204,C(CCCCCN)CCCCC(=O)O,carcinogenic
+48413207,[NH4+].[OH-],non-carcinogenic
+48413209,CC(CC1=CC=CC=C1)N.CC(CC1=CC=CC=C1)N.OS(=O)(=O)O,non-carcinogenic
+48413210,CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)C.O.O.O,non-carcinogenic
+48413211,CCCCCN(C(=O)N)N=O,carcinogenic
+48413214,CC=CC1=CC=C(C=C1)OC,non-carcinogenic
+48413215,C(C(C1C(C2C(O1)OC(O2)C(Cl)(Cl)Cl)O)O)O,non-carcinogenic
+48413216,C1=CC=C(C(=C1)NC2=NC(=NC(=N2)Cl)Cl)Cl,non-carcinogenic
+48413218,C1=CC=C(C=C1)N.Cl,carcinogenic
+48413219,COC1=CC=CC=C1N.Cl,carcinogenic
+48413220,COC1=CC=C(C=C1)N.Cl,non-carcinogenic
+48413221,C1=CC=C(C(=C1)C(=O)O)N,non-carcinogenic
+48413222,C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3C2=O,non-carcinogenic
+48413224,CC(COC1=CC=C(C=C1)C(C)(C)C)OS(=O)OCCCl,carcinogenic
+48413225,CN1CCC=C(C1)C(=O)OC.Cl,carcinogenic
+48413226,COC1=CC=CC2=C3C(=C(C=C21)[N+](=O)[O-])C(=CC4=C3OCO4)C(=O)[O-].[Na+],carcinogenic
+48413228,C1=CC(=C(C(=C1)Cl)Cl)C2=C(C=C(C=C2)Cl)Cl,carcinogenic
+48413229,C1=CC(=C(C(=C1)Cl)Cl)C2=C(C(=C(C=C2)Cl)Cl)Cl,carcinogenic
+48413230,C1=CC(=C(C(=C1C2=C(C(=C(C=C2)Cl)Cl)Cl)Cl)Cl)Cl,carcinogenic
+48413231,O[As](=O)(O)[O-].[Na+],non-carcinogenic
+48413232,O1[As]2O[As]3O[As]1O[As](O2)O3,non-carcinogenic
+48413233,[O-][As]=O.[Na+],non-carcinogenic
+48413235,C(C(C1C(=C(C(=O)O1)O)O)O)O,non-carcinogenic
+48413236,COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)O)N,non-carcinogenic
+48413237,CC(=O)OC1=CC=CC=C1C(=O)O,non-carcinogenic
+48413239,COC1=CC=C(C=C1)CCN2CCC(CC2)NC3=NC4=CC=CC=C4N3CC5=CC=C(C=C5)F,non-carcinogenic
+48413240,CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O.Cl,non-carcinogenic
+48413241,CCNC1=NC(=NC(=N1)Cl)NC(C)C,carcinogenic
+48413242,CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3,non-carcinogenic
+48413243,CN(C)C1=CC=C(C=C1)C(=N)C2=CC=C(C=C2)N(C)C.Cl,carcinogenic
+48413245,C1=NC(=NC(=O)N1C2C(C(C(O2)CO)O)O)N,carcinogenic
+48413248,CN1C=NC(=C1SC2=NC=NC3=C2NC=N3)[N+](=O)[O-],carcinogenic
+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-carcinogenic
+48413250,[N-]=[N+]=[N-].[Na+],non-carcinogenic
+48413251,COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2N=N1,non-carcinogenic
+48413252,C1=CC=C(C=C1)N=NC2=CC=CC=C2,carcinogenic
+48413253,CN=[N+](C)[O-],carcinogenic
+48413254,CCCN=[N+](CCC)[O-],carcinogenic
+48413256,CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)N=[N+]=[N-],carcinogenic
+48413259,CC(=O)[O-].CC(=O)[O-].[Ba+2],non-carcinogenic
+48413260,O.O.[Cl-].[Cl-].[Ba+2],non-carcinogenic
+48413261,CCOCCC1=C(N=C(N2C1=NC=N2)N)C3=CC=CC=C3,carcinogenic
+48413262,C1=CC(=CC=C1C(=O)O)NN=C2C=CC(=O)C(=C2)C(=O)O,non-carcinogenic
+48413263,C1=CC=C(C=C1)C=O,carcinogenic
+48413264,C1=CC=CC=C1,carcinogenic
+48413265,C1=CC=C(C=C1)[N+]#N.OS(=O)(=O)[O-],carcinogenic
+48413267,C1=CC(=CC=C1C2=CC=C(C=C2)N)N,carcinogenic
+48413268,C1=CC(=CC=C1C2=CC=C(C=C2)N)N.Cl.Cl,carcinogenic
+48413269,C1=CC=C2C3=C4C(=CC2=C1)C=CC5=C4C(=CC=C5)C=C3,carcinogenic
+48413270,C1=CC=C(C=C1)C(=O)[O-].[Na+],non-carcinogenic
+48413271,C1=CC=C2C(=C1)C=CO2,carcinogenic
+48413272,C1=CC=C(C=C1)C2=NC(=NC(=N2)N)N,non-carcinogenic
+48413274,C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)O,non-carcinogenic
+48413275,C1=CC(=O)C=CC1=O,carcinogenic
+48413276,C1=CC=C2C(=C1)N=C(S2)SSC3=NC4=CC=CC=C4S3,non-carcinogenic
+48413277,C1=CC2=NNN=C2C=C1,non-carcinogenic
+48413278,C1=CC=C(C=C1)C(Cl)(Cl)Cl,carcinogenic
+48413279,C1=CC=C(C=C1)C(=O)NN,carcinogenic
+48413280,CC(=O)OCC1=CC=CC=C1,carcinogenic
+48413281,C1=CC=C(C=C1)CO,non-carcinogenic
+48413282,C1=CC=C(C=C1)CCl,carcinogenic
+48413287,C1=CC=C(C=C1)C[N+]2=NOC(=C2CC(=O)N)[O-],carcinogenic
+48413288,[Be+2].[O-]S(=O)(=O)[O-],non-carcinogenic
+48413289,CC1=C(C=CC=C1COC(=O)C2C(C2(C)C)C=C(C(F)(F)F)Cl)C3=CC=CC=C3,non-carcinogenic
+48413290,C1=CC=C(C=C1)C2=CC=CC=C2,non-carcinogenic
+48413291,CC(C)(CCCOC1=CC(=C(C=C1)OCCCC(C)(C)C(=O)O)C2=CC=CC=C2)C(=O)O,carcinogenic
+48413293,C(C(CO)(CBr)CBr)O,carcinogenic
+48413294,CC1CC(CC(C1)(OOC(C)(C)C)OOC(C)(C)C)(C)C,non-carcinogenic
+48413295,CCCC[Sn](CCCC)(CCCC)O[Sn](CCCC)(CCCC)CCCC,non-carcinogenic
+48413296,CC(CCl)OC(C)CCl,carcinogenic
+48413302,C(OCCl)Cl,carcinogenic
+48413303,C(C(CBr)Br)OP(=O)([O-])OCC(CBr)Br.C(C(CBr)Br)OP(=O)([O-])OCC(CBr)Br.[Mg+2],carcinogenic
+48413305,C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=C(S3)[N+](=O)[O-])N(CCO)CCO,carcinogenic
+48413309,CN(C)C(=S)S[Bi](SC(=S)N(C)C)SC(=S)N(C)C,non-carcinogenic
+48413311,CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O,non-carcinogenic
+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-carcinogenic
+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+],carcinogenic
+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+],carcinogenic
+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+],carcinogenic
+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],carcinogenic
+48413317,C1=CC(=C2C(=C1N)C(=O)C3=C(C=CC(=C3C2=O)N)N)N,carcinogenic
+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-carcinogenic
+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-carcinogenic
+48413320,CNC1=C(C=C(C=C1)N(CCO)CCO)[N+](=O)[O-],carcinogenic
+48413322,C1=CC(=C(C=C1N(CCO)CCO)[N+](=O)[O-])NCCO,non-carcinogenic
+48413324,B(O)(O)O,non-carcinogenic
+48413325,[O-]Br(=O)=O.[K+],carcinogenic
+48413326,C(C=O)Br,non-carcinogenic
+48413328,C(Cl)(Cl)Br,carcinogenic
+48413329,CCBr,carcinogenic
+48413330,C(CBr)O,carcinogenic
+48413333,C=CC=C,carcinogenic
+48413334,CCCCOCCO,carcinogenic
+48413335,CC(C)(C)O,carcinogenic
+48413337,CCCCCl,non-carcinogenic
+48413338,CCC(C)C1=CC(=CC(=C1O)[N+](=O)[O-])[N+](=O)[O-],non-carcinogenic
+48413339,CCCCN(C=O)N,carcinogenic
+48413340,CCCCOC(=O)C1=CC=C(C=C1)O,non-carcinogenic
+48413341,CCCCN(CCCCO)N=O,carcinogenic
+48413342,CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CO,non-carcinogenic
+48413345,CCCCN(C(=O)N)N=O,carcinogenic
+48413346,CC(C)(C)C1=C(C=CC(=C1)OC)O,carcinogenic
+48413347,CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C,carcinogenic
+48413348,CCCCN(CCCC)N,carcinogenic
+48413349,CCCCNN.Cl,carcinogenic
+48413350,CCCCNNCCCC.Cl.Cl,carcinogenic
+48413351,CC(C)(C)C1=C(C=CC(=C1)O)O,non-carcinogenic
+48413352,CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C,non-carcinogenic
+48413354,CCCCNC(=O)N,non-carcinogenic
+48413356,C1CC(=O)OC1,non-carcinogenic
+48413357,CC(=O)[O-].CC(=O)[O-].[Cd+2],non-carcinogenic
+48413358,[Cl-].[Cl-].[Cd+2],carcinogenic
+48413359,O.[Cl-].[Cl-].[Cd+2],non-carcinogenic
+48413360,CCN(CC)C(=S)[S-].CCN(CC)C(=S)[S-].[Cd+2],non-carcinogenic
+48413361,[O-]S(=O)(=O)[O-].[Cd+2],carcinogenic
+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-carcinogenic
+48413363,C1=CC(=C(C=C1C=CC(=O)O)O)O,carcinogenic
+48413364,CN1C=NC2=C1C(=O)N(C(=O)N2C)C,non-carcinogenic
+48413368,CC(C(=O)[O-])O.CC(C(=O)[O-])O.[Ca+2],non-carcinogenic
+48413371,CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)OC(C)OC(=O)OC6CCCCC6,non-carcinogenic
+48413372,C1CCC(=O)NCC1,non-carcinogenic
+48413373,CC(C)C=CCCCCC(=O)NCC1=CC(=C(C=C1)O)OC,carcinogenic
+48413374,C1C=CCC2C1C(=O)N(C2=O)SC(C(Cl)Cl)(Cl)Cl,carcinogenic
+48413375,C1C=CCC2C1C(=O)N(C2=O)SC(Cl)(Cl)Cl,carcinogenic
+48413376,C(=O)(N)NN.Cl,carcinogenic
+48413377,C1=CC=C(C=C1)NNC(=O)N,carcinogenic
+48413378,C1=CC(=CC=C1NC(=O)N)[As](=O)(O)O,non-carcinogenic
+48413380,C1=CC=C2C(=C1)C3=CC=CC=C3N2,carcinogenic
+48413381,CC1(CC2=C(O1)C(=CC=C2)OC(=O)NC)C,non-carcinogenic
+48413382,C(Cl)(Cl)(Cl)Cl,carcinogenic
+48413383,C(C(=O)O)N(C(=O)N)N=O,carcinogenic
+48413384,CCC(CC)(C(=O)NC(=O)N)Br,non-carcinogenic
+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-carcinogenic
+48413388,CC1=CCC(CC1=O)C(=C)C,non-carcinogenic
+48413390,C1=CC=C(C(=C1)O)O,carcinogenic
+48413392,CCN(CC)C(=O)NC1=CC(=C(C=C1)OCC(CNC(C)(C)C)O)C(=O)C,non-carcinogenic
+48413393,CC1OC2(CN3CCC2CC3)CS1.CC1OC2(CN3CCC2CC3)CS1.O.Cl.Cl,non-carcinogenic
+48413397,C1=CC(=CC=C1CCCC(=O)O)N(CCCl)CCCl,carcinogenic
+48413400,C1(=C(C(=O)C(=C(C1=O)Cl)Cl)Cl)Cl,non-carcinogenic
+48413401,C1C2C(C(C1Cl)Cl)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl,carcinogenic
+48413402,C1(C(C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)C(=O)O)C(=O)O,carcinogenic
+48413403,CCC(CCC(C(CC(C(C(CCl)Cl)Cl)Cl)Cl)Cl)Cl,carcinogenic
+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-carcinogenic
+48413407,ClCl,non-carcinogenic
+48413409,C1=CC(=CC=C1N)OC2=CC=C(C=C2)Cl,carcinogenic
+48413410,C1(C(=C(C(=O)O1)Cl)C(Cl)Cl)O,carcinogenic
+48413412,C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])Cl,non-carcinogenic
+48413413,CC(=C)CCl,carcinogenic
+48413413,CC(=C)CCl,carcinogenic
+48413415,C1=CC=C(C(=C1)[N+](=O)[O-])Cl,carcinogenic
+48413416,C1=CC(=CC=C1[N+](=O)[O-])Cl,carcinogenic
+48413417,C1=CC(=C(C=C1N)N)Cl,carcinogenic
+48413418,C1=CC(=C(C=C1Cl)N)N,carcinogenic
+48413419,C1=CC(=C(C=C1N)Cl)N.OS(=O)(=O)O,non-carcinogenic
+48413420,CC(CCl)O,non-carcinogenic
+48413421,CC1=C(C=C(C=C1)N)Cl,non-carcinogenic
+48413422,CC1=C(C=C(C=C1)Cl)N,carcinogenic
+48413423,CC1=C(C=CC(=C1)Cl)N.Cl,carcinogenic
+48413424,C(C(F)(F)F)Cl,carcinogenic
+48413425,CC1=C(C(=CC=C1)NC2=CC(=NC(=N2)SCC(=O)O)Cl)C,carcinogenic
+48413426,CC1=C(C(=CC=C1)NC2=CC(=NC(=N2)SCC(=O)NCCO)Cl)C,carcinogenic
+48413428,C1=CC=C(C=C1)C(=O)CCl,non-carcinogenic
+48413429,CC(=O)NC1=CC=C(C=C1)C(=O)CCl,non-carcinogenic
+48413430,C1=CC(=CC=C1N)Cl,non-carcinogenic
+48413431,C1=CC(=CC=C1N)Cl.Cl,carcinogenic
+48413432,C1=CC=C(C(=C1)C=C(C#N)C#N)Cl,non-carcinogenic
+48413434,CCOC(=O)C(C1=CC=C(C=C1)Cl)(C2=CC=C(C=C2)Cl)O,carcinogenic
+48413436,C(F)(F)Cl,non-carcinogenic
+48413438,C[N+](C)(C)CCCl.[Cl-],non-carcinogenic
+48413440,C(F)Cl,carcinogenic
+48413441,C(Cl)(Cl)Cl,carcinogenic
+48413442,COCCl,carcinogenic
+48413443,C1=CC=NC(=C1)CCl.Cl,non-carcinogenic
+48413444,C1=CC(=CN=C1)CCl.Cl,carcinogenic
+48413445,C1=CC(=CC=C1OS(=O)(=O)C2=CC=C(C=C2)Cl)Cl,non-carcinogenic
+48413446,CN(C)C(=O)NC1=CC=C(C=C1)Cl,carcinogenic
+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-carcinogenic
+48413448,C#CC(C1=CC=CC=C1)(C2=CC=C(C=C2)Cl)OC(=O)N,carcinogenic
+48413449,C1=CC(=CC=C1SC2=CC(=C(C=C2Cl)Cl)Cl)Cl,non-carcinogenic
+48413450,C([N+](=O)[O-])(Cl)(Cl)Cl,non-carcinogenic
+48413451,C=CC(=C)Cl,carcinogenic
+48413451,C=CC(=C)Cl,carcinogenic
+48413456,C(#N)C1=C(C(=C(C(=C1Cl)Cl)Cl)C#N)Cl,carcinogenic
+48413457,C(CCl)N(C(=O)NC1C(C(C(OC1O)CO)O)O)N=O,carcinogenic
+48413458,C[NH+](C)CCC(C1=CC=C(C=C1)Cl)C2=CC=CC=N2.C(=CC(=O)[O-])C(=O)O,non-carcinogenic
+48413459,CCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)Cl,non-carcinogenic
+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-carcinogenic
+48413462,C[N+](C)(C)CCO.[Cl-],non-carcinogenic
+48413464,CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Cr+3],non-carcinogenic
+48413465,C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC=C3O,carcinogenic
+48413466,CC1=C(N=CN1)CSCCNC(=NC)NC#N,non-carcinogenic
+48413467,C1=CC=C(C=C1)C=CC=O,non-carcinogenic
+48413468,C1=CC=C(C=C1)C=CCOC(=O)C2=CC=CC=C2N,carcinogenic
+48413469,CC(C)(C(=O)O)OC1=CC=C(C=C1)C2CC2(Cl)Cl,carcinogenic
+48413470,CC(=CCCC(=CC=O)C)C,non-carcinogenic
+48413473,CC1C=C(C(=O)OC2CC[N+]3(C2(C(=CC3)COC(=O)C1(C)OC(=O)C)[O-])C)C=C,carcinogenic
+48413475,CCOC(=O)C(C)(C)OC1=CC=C(C=C1)Cl,carcinogenic
+48413477,C1=CC(=C(C=C1[N+](=O)[O-])Cl)NC(=O)C2=C(C=CC(=C2)Cl)O.C(CO)N,non-carcinogenic
+48413479,O.O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[Co+2],carcinogenic
+48413480,CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O,non-carcinogenic
+48413482,CC1=CC2=C(C=C1)C(=NC(=O)N2C(C)C)C3=CC(=CC=C3)O,non-carcinogenic
+48413484,CN(C)C(=S)[S-].CN(C)C(=S)[S-].[Cu+2],non-carcinogenic
+48413485,C1=CC2=C(C(=C1)O)N=CC=C2.C1=CC2=C(C(=C1)O)N=CC=C2.[Cu],non-carcinogenic
+48413486,CCOP(=S)(OCC)OC1=CC2=C(C=C1)C(=C(C(=O)O2)Cl)C,non-carcinogenic
+48413487,C1=CC=C2C(=C1)C=CC(=O)O2,carcinogenic
+48413488,CC1=C(C=CC(=C1)OC)N,carcinogenic
+48413489,CC1=CC(=C(C=C1)OC)N,carcinogenic
+48413491,C1=CC=C(C=C1)N(N=O)[O-].[NH4+],carcinogenic
+48413494,C(#N)N=C(N)N,non-carcinogenic
+48413495,C1CCC(CC1)NS(=O)(=O)[O-].[Na+],carcinogenic
+48413497,C1=CN2C3C(C(C(O3)CO)O)OC2=NC1=N,non-carcinogenic
+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-carcinogenic
+48413499,C1CCC(=O)CC1,non-carcinogenic
+48413500,C1CCC(CC1)NSC2=NC3=CC=CC=C3S2,non-carcinogenic
+48413501,C1CCC(CC1)N.Cl,non-carcinogenic
+48413502,C1CCC(CC1)N.OS(=O)(=O)O,non-carcinogenic
+48413504,COC1=C(C=C(C=C1)C(=O)NC2=C(C=NC=C2Cl)Cl)OC3CCCC3,carcinogenic
+48413505,C1CNP(=O)(OC1)N(CCCl)CCCl,carcinogenic
+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-carcinogenic
+48413507,CC(=O)C1(CCC2C1(CCC3C2C=C(C4=CC(=O)C5CC5C34C)Cl)C)OC(=O)C,carcinogenic
+48413508,C(C(C(=O)O)N)S.Cl,non-carcinogenic
+48413509,COC1=CC=C(C=C1)C(=O)C(=CC(=O)[O-])Br.[Na+],carcinogenic
+48413510,CN(C)NN=C1C(=NC=N1)C(=O)N,carcinogenic
+48413511,CN(C)NC(=O)CCC(=O)O,carcinogenic
+48413512,C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)N,carcinogenic
+48413513,C1=CC=C(C(=C1)C(C2=CC=C(C=C2)Cl)C(Cl)Cl)Cl,non-carcinogenic
+48413514,C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)C(Cl)Cl)Cl,carcinogenic
+48413515,C1=CC(=CC=C1C(=C(Cl)Cl)C2=CC=C(C=C2)Cl)Cl,carcinogenic
+48413516,C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)C(Cl)(Cl)Cl)Cl,carcinogenic
+48413517,C1(=C(C(=C(C(=C1Br)Br)Br)Br)Br)OC2=C(C(=C(C(=C2Br)Br)Br)Br)Br,carcinogenic
+48413517,C1(=C(C(=C(C(=C1Br)Br)Br)Br)Br)OC2=C(C(=C(C(=C2Br)Br)Br)Br)Br,carcinogenic
+48413520,CC12CCC3C(C1CCC2=O)CC=C4C3(CCC(C4)O)C,carcinogenic
+48413521,CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4=O)C)C,carcinogenic
+48413522,CC12CCC3C(C1CCC2=O)CC=C4C3(CCC(C4)OS(=O)(=O)O)C,non-carcinogenic
+48413523,CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Br)Br)C,non-carcinogenic
+48413531,CC(=O)N(C1=CC=CC2=C1CC3=CC=CC=C32)C(=O)C,carcinogenic
+48413532,CC(=O)NNC(=O)C,non-carcinogenic
+48413534,C=CCOC(=O)C1=CC=CC=C1C(=O)OCC=C,non-carcinogenic
+48413535,C=CCN(CC=C)N,carcinogenic
+48413536,C=CCNNCC=C.Cl.Cl,carcinogenic
+48413537,C=CCN(CC=C)N=O,carcinogenic
+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-carcinogenic
+48413540,COC1=C(C=C(C=C1)N)N.OS(=O)(=O)O,carcinogenic
+48413541,C1=CC(=CC=C1N)N=NC2=CC=C(C=C2)N,non-carcinogenic
+48413542,C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)N)N,non-carcinogenic
+48413544,CC1=C(C=C(C=C1)N)N,carcinogenic
+48413545,CC1=C(C=C(C=C1)N)N.Cl.Cl,carcinogenic
+48413546,CC1=C(C=CC=C1N)N.Cl.Cl,non-carcinogenic
+48413547,CC1=C(C=CC(=C1)N)N.OS(=O)(=O)O,non-carcinogenic
+48413548,CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3,non-carcinogenic
+48413549,CCOP(=S)(OCC)OC1=NC(=NC(=C1)C)C(C)C,non-carcinogenic
+48413552,C1=CC=C2C(=C1)OC3=CC=CC=C3O2,non-carcinogenic
+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-carcinogenic
+48413555,C(C(CBr)Br)Cl,carcinogenic
+48413556,C(C(C(C(C(CBr)O)O)O)O)Br,carcinogenic
+48413557,C(CBr)Br,carcinogenic
+48413558,C(C(C(C(C(CBr)O)O)O)O)Br,carcinogenic
+48413559,C1=CC2=C(C=C(C=C2N=C1)Br)Br,non-carcinogenic
+48413560,CCCCNC(=O)N(CCCC)N=O,carcinogenic
+48413561,CCCC[Sn](CCCC)(OC(=O)C)OC(=O)C,non-carcinogenic
+48413565,C(=O)C(=C(C(=O)O)Cl)Cl,non-carcinogenic
+48413566,CC(=C)C(=O)NC1=CC(=C(C=C1)Cl)Cl,non-carcinogenic
+48413567,C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)Cl,non-carcinogenic
+48413568,C1=C(C=C(C(=C1Cl)N)Cl)[N+](=O)[O-],non-carcinogenic
+48413569,C1=C(C=C(C(=C1Cl)N)Cl)N,carcinogenic
+48413570,C(C(=O)O)(Cl)Cl,carcinogenic
+48413571,C(#CCl)Cl,carcinogenic
+48413572,C1=CC=C(C(=C1)Cl)Cl,non-carcinogenic
+48413573,C1=CC(=CC=C1Cl)Cl,carcinogenic
+48413574,C1=CC(=C(C=C1C2=CC(=C(C=C2)N)Cl)Cl)N,carcinogenic
+48413576,C(C=CCCl)Cl,carcinogenic
+48413578,C1=CC2=C(C=C1Cl)OC3=C(O2)C=C(C=C3)Cl,non-carcinogenic
+48413579,C(F)(F)(Cl)Cl,non-carcinogenic
+48413580,C1=CC(=CC=C1S(=O)(=O)C2=CC=C(C=C2)Cl)Cl,non-carcinogenic
+48413581,CC(Cl)Cl,non-carcinogenic
+48413582,C(CCl)Cl,carcinogenic
+48413583,C1=CC(=C(C=C1Cl)Cl)O,non-carcinogenic
+48413584,CC(C(=O)O)OC1=C(C=C(C=C1)Cl)Cl,non-carcinogenic
+48413585,CC(C(=O)O)OC1=C(C=CC(=C1)Cl)Cl,non-carcinogenic
+48413586,C1=CC(=C(C=C1Cl)Cl)OCC(=O)O,non-carcinogenic
+48413587,CCCCOC(=O)COC1=C(C=C(C=C1)Cl)Cl,non-carcinogenic
+48413588,CCCCC(CC)COC(=O)COC1=C(C=C(C=C1)Cl)Cl,non-carcinogenic
+48413589,CC(C)OC(=O)COC1=C(C=C(C=C1)Cl)Cl,non-carcinogenic
+48413590,CN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl,non-carcinogenic
+48413591,C1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)Cl)Cl,non-carcinogenic
+48413592,CC(CCl)Cl,carcinogenic
+48413593,COP(=O)(OC)OC=C(Cl)Cl,carcinogenic
+48413596,C1CCC(CC1)NC(=S)NC2CCCCC2,non-carcinogenic
+48413597,C1C2C3CC4C(C3C1C5C2O5)O4,non-carcinogenic
+48413598,C1C2C3C(C1C4C2O4)C5(C(=C(C3(C5(Cl)Cl)Cl)Cl)Cl)Cl,carcinogenic
+48413599,C12C3C(C4C1C5(C(C3(C4(C5(Cl)Cl)Cl)Cl)Cl)Cl)C6C2O6,non-carcinogenic
+48413603,CCN(CC)C(=O)C1=CC(=CC=C1)C,non-carcinogenic
+48413604,CCOP(=S)(OCC)OC1=NC(=C(C=C1Cl)Cl)Cl,non-carcinogenic
+48413607,CCN(CC)CC#CC(C)(C)OC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O.O.Cl,non-carcinogenic
+48413611,CCC(=C(CC)C1=CC=C(C=C1)O)C2=CC=C(C=C2)O,carcinogenic
+48413612,CCNC(=S)NCC,carcinogenic
+48413613,C(CC(C(F)F)(C(=O)O)N)CN,non-carcinogenic
+48413614,C(=O)NNC=O,carcinogenic
+48413615,C1C2=CC=CC=C2C(=O)N3N1C(=O)C4=CC=CC=C4C3,carcinogenic
+48413616,C1C(O1)COC2=CC(=CC=C2)OCC3CO3,carcinogenic
+48413620,C1CC(=O)OC2=CC=CC=C21,carcinogenic
+48413621,CCCC1=CC2=C(C=C1)OCO2,carcinogenic
+48413624,CC(C)CCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCC(C)C,carcinogenic
+48413625,CC(CCC1=CC=CC=C1)NCC(C2=CC(=C(C=C2)O)C(=O)N)O.Cl,non-carcinogenic
+48413627,CNC(=O)CSP(=S)(OC)OC,non-carcinogenic
+48413628,CC1CC(OC(O1)C)OC(=O)C,carcinogenic
+48413628,CC1CC(OC(O1)C)OC(=O)C,carcinogenic
+48413630,COC1=CC(=C(C=C1)OC)C=CC2=CC=C(C=C2)N,carcinogenic
+48413631,COC1=CC(=C(C=C1)N)OC.Cl,non-carcinogenic
+48413632,COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=C=O)OC)N=C=O,carcinogenic
+48413633,COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)OC)N.Cl.Cl,carcinogenic
+48413638,CC(=O)NCCSP(=S)(OC)OC,non-carcinogenic
+48413641,CO[P+](=O)OC,carcinogenic
+48413643,COP(=O)(N1CCOCC1)OC,carcinogenic
+48413644,CC1=CC(=NC(=N1)C2=CC=C(O2)[N+](=O)[O-])C,carcinogenic
+48413646,COC(=O)C1=CC=C(C=C1)C(=O)OC,non-carcinogenic
+48413647,CC(=O)N(C)C,non-carcinogenic
+48413648,CCC(C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2)OC(=O)C.Cl,carcinogenic
+48413649,CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2.Cl,non-carcinogenic
+48413650,CN(C)CNC1=NN=C(O1)C=CC2=CC=C(O2)[N+](=O)[O-],carcinogenic
+48413651,CC1=CC(=CC(=C1N(C)C)C)O,non-carcinogenic
+48413652,CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)C,non-carcinogenic
+48413654,CC[NH2+]C(=O)N(CCN(C)C)N=O.N(=O)[O-],carcinogenic
+48413660,CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)C)N.Cl.Cl,carcinogenic
+48413661,CN(C)C(=O)Cl,carcinogenic
+48413662,CNC.CN(C)C(=S)S,non-carcinogenic
+48413663,CCCCCCCCCCCC[N+](C)(C)[O-],non-carcinogenic
+48413664,CN(C)C=O,non-carcinogenic
+48413665,CN(C)N,carcinogenic
+48413666,CNNC.Cl.Cl,carcinogenic
+48413667,CN(C)NC1=NC(=CS1)C2=CC=C(O2)[N+](=O)[O-],carcinogenic
+48413668,CN(C)[N+](=O)[O-],carcinogenic
+48413670,CC(=CCl)C,carcinogenic
+48413671,CC(C)(C)C1=CC(=CC(=C1OS(=O)(=O)C)[N+](=O)[O-])[N+](=O)[O-],non-carcinogenic
+48413672,CCCCCCC(C)C1=CC(=CC(=C1OC(=O)C=CC)[N+](=O)[O-])[N+](=O)[O-],non-carcinogenic
+48413676,C1CN(CCN(C1)N=O)N=O,carcinogenic
+48413678,C1CN(CCN1N=O)N=O,carcinogenic
+48413681,CC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-],carcinogenic
+48413681,CC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-],carcinogenic
+48413684,C1COCCO1,carcinogenic
+48413685,CCOP(=S)(OCC)SC1C(OCCO1)SP(=S)(OCC)OCC,non-carcinogenic
+48413686,C1CCN(CC1)C(=S)SSSSSSC(=S)N2CCCCC2,non-carcinogenic
+48413687,CCCCCN(CCCCC)N=O,carcinogenic
+48413688,CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2.Cl,non-carcinogenic
+48413689,C1=CC=C(C=C1)NC2=CC=C(C=C2)NC3=CC=CC=C3,non-carcinogenic
+48413690,C1=CC=C(C=C1)C(C#N)C2=CC=CC=C2,non-carcinogenic
+48413691,C1=CC=C(C=C1)OC(=O)OC2=CC=CC=C2,non-carcinogenic
+48413694,CCC(O)OC(CC)O,non-carcinogenic
+48413695,CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)CS(=O)(=O)[O-].[Na+],carcinogenic
+48413696,C1=NC(=O)C2=C(N1)N(C=N2)C3C(C(C(O3)COP(=O)([O-])[O-])O)O.[Na+].[Na+],non-carcinogenic
+48413697,C(=S)(N)NNC(=S)N,non-carcinogenic
+48413700,CCCCCCCCCCCCN=C(N)N.CC(=O)O,non-carcinogenic
+48413703,C1=CC=C(C(=C1)C2=NC(C(=O)N(C3=C2C=C(C=C3)Cl)CCO)O)F,non-carcinogenic
+48413704,CC(C1=CC=CC=C1)(C2=CC=CC=N2)OCCN(C)C.C(CC(=O)O)C(=O)O,carcinogenic
+48413705,CC(C1CCC2(C1(CCC3C2=CC(=O)C4C3(CC(C(C4)O)O)C)C)O)C(CCC(C)(C)O)O,carcinogenic
+48413708,C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)O)CC(=O)[O-].O.O.O.[Na+].[Na+].[Na+],non-carcinogenic
+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-carcinogenic
+48413713,CC1=CC(=C2C(=C1)C(=O)C3=CC(=CC(=C3C2=O)O)O)O,non-carcinogenic
+48413715,C1C2C(COS(=O)O1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl,non-carcinogenic
+48413716,C1C2C3C(C1C4C2O4)C5(C(=C(C3(C5(Cl)Cl)Cl)Cl)Cl)Cl,non-carcinogenic
+48413717,C(C(OC(F)F)(F)F)(F)Cl,non-carcinogenic
+48413719,CC12CCC3C(C1CCC2(C#C)O)CCC4=C3CCC(=O)C4,non-carcinogenic
+48413720,CC(C(C1=CC=CC=C1)O)NC.CC(C(C1=CC=CC=C1)O)NC.OS(=O)(=O)O,non-carcinogenic
+48413721,C1C(O1)CCl,carcinogenic
+48413724,CCC1CO1,carcinogenic
+48413725,C(C(C1C(=C(C(=O)O1)O)O)O)[O-].[Na+],non-carcinogenic
+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-carcinogenic
+48413727,C1C2=NN=CN2C3=C(C=C(C=C3)Cl)C(=N1)C4=CC=CC=C4,non-carcinogenic
+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,carcinogenic
+48413734,CCSCCC(C(=O)O)N,carcinogenic
+48413737,CCOC1=CC2=C(C=C1)NC(C=C2C)(C)C,non-carcinogenic
+48413738,CCOC(=O)C=C,carcinogenic
+48413739,CCO,carcinogenic
+48413740,CCN=[N+](CC)[O-],carcinogenic
+48413741,CC[N+](=NC)[O-],carcinogenic
+48413744,CCC1=CC=C(C=C1)C(C2=CC=C(C=C2)CC)C(Cl)Cl,non-carcinogenic
+48413745,CCN(C=O)N,carcinogenic
+48413746,CCOC(=O)C1C(O1)(C)C2=CC=CC=C2,non-carcinogenic
+48413747,CCN(C(=N[N+](=O)[O-])N)N=O,carcinogenic
+48413748,CCN(C(=O)N)N=O,carcinogenic
+48413749,CCN(CC)C(=S)S[Te](SC(=S)N(CC)CC)(SC(=S)N(CC)CC)SC(=S)N(CC)CC,non-carcinogenic
+48413751,CCC1=CC=CC=C1,carcinogenic
+48413752,C(CO)O,non-carcinogenic
+48413754,C1CN1,carcinogenic
+48413755,C1CO1,carcinogenic
+48413756,C1CNC(=S)N1,carcinogenic
+48413757,C1CNC(=O)N1,non-carcinogenic
+48413758,C(CNC(=S)[S-])NC(=S)[S-].[Na+].[Na+],non-carcinogenic
+48413761,CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC,carcinogenic
+48413762,CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OCC(CC)CCCC,carcinogenic
+48413763,CCNN.Cl,carcinogenic
+48413764,CCN(C(=O)NCCO)N=O,carcinogenic
+48413765,CCN(C(=O)NCC(=O)C)N=O,carcinogenic
+48413766,CCN(C#N)N=O,carcinogenic
+48413769,CC(=O)OC1CCC2C3CCC4(C(C3CCC2=C1)CCC4(C#C)OC(=O)C)C,non-carcinogenic
+48413770,CCC1=CC=CC2=C1NC3=C2CCOC3(CC)CC(=O)O,non-carcinogenic
+48413772,COC1=C(C=CC(=C1)CC=C)O,non-carcinogenic
+48413773,C1CC(N2C=NC=C2C1)C3=CC=C(C=C3)C#N.Cl,non-carcinogenic
+48413774,CN(C)C1=CC=C(C=C1)N=NS(=O)(=O)[O-].[Na+],non-carcinogenic
+48413775,CC1=C(C=CC(=C1)OP(=S)(OC)OC)SC,non-carcinogenic
+48413776,CC(C)C(C1=CC=C(C=C1)Cl)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3,non-carcinogenic
+48413777,[Cl-].[Cl-].[Cl-].[Fe+3],non-carcinogenic
+48413778,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.O.O.O.O.[Fe+3],non-carcinogenic
+48413779,CN(C)C(=S)[S-].CN(C)C(=S)[S-].CN(C)C(=S)[S-].[Fe+3],non-carcinogenic
+48413781,CC(=O)O.C1CCNC(C1)CNC(=O)C2=C(C=CC(=C2)OCC(F)(F)F)OCC(F)(F)F,non-carcinogenic
+48413783,CN(C)C(=O)NC1=CC=CC(=C1)C(F)(F)F,non-carcinogenic
+48413784,C1C2=CC=CC=C2C3=C1C=C(C=C3)NC(=O)C(F)(F)F,carcinogenic
+48413785,[F-].[Na+],non-carcinogenic
+48413786,C1=CC(=CC=C1C2=CC=C(C=C2)F)N,carcinogenic
+48413789,C1=C(C(=O)NC(=O)N1)F,carcinogenic
+48413790,CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F.Cl,non-carcinogenic
+48413792,C=O,carcinogenic
+48413795,C1=C(OC(=C1)[N+](=O)[O-])C2=CSC(=N2)NNC=O,carcinogenic
+48413797,C(=O)NN,carcinogenic
+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,carcinogenic
+48413801,C1=COC=C1,carcinogenic
+48413802,C1=COC(=C1)C=O,carcinogenic
+48413803,C1=COC(=C1)CO,carcinogenic
+48413807,CC(C)(CCCCCCC(C)(C)CO)CO,non-carcinogenic
+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-],carcinogenic
+48413810,CC(=CCCC(=CCOC(=O)C)C)C,non-carcinogenic
+48413812,CC12C(C=CC3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)OC2=O)O,non-carcinogenic
+48413813,CC1=CC=CN2C1=NC3=C2N=C(C=C3)N,carcinogenic
+48413814,C1=CC2=NC3=C(N2C=C1)N=C(C=C3)N,carcinogenic
+48413817,C1=CC(=CC=C1CO)NNC(=O)CCC(C(=O)O)N,non-carcinogenic
+48413818,C(CC=O)CC=O,non-carcinogenic
+48413821,C(C(CCl)O)O,non-carcinogenic
+48413823,C1C(O1)CO,carcinogenic
+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-carcinogenic
+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+],carcinogenic
+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-carcinogenic
+48413831,CC1CC(=O)C=C(C12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)OC,carcinogenic
+48413834,C1=C2C(=C(C(=C1Cl)Cl)Cl)OC3=C(C(=C(C=C3O2)Cl)Cl)Cl,carcinogenic
+48413836,C1=CC(C2C1C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl)Cl,carcinogenic
+48413837,C1CCCNCCC1,non-carcinogenic
+48413839,C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)Cl,carcinogenic
+48413840,C(=C(Cl)Cl)(C(=C(Cl)Cl)Cl)Cl,carcinogenic
+48413841,C1(C(C(C(C(C1Cl)Cl)Cl)Cl)Cl)Cl,carcinogenic
+48413841,C1(C(C(C(C(C1Cl)Cl)Cl)Cl)Cl)Cl,carcinogenic
+48413841,C1(C(C(C(C(C1Cl)Cl)Cl)Cl)Cl)Cl,carcinogenic
+48413841,C1(C(C(C(C(C1Cl)Cl)Cl)Cl)Cl)Cl,carcinogenic
+48413845,C1(=C(C(C(=C1Cl)Cl)(Cl)Cl)Cl)Cl,non-carcinogenic
+48413846,C(C(Cl)(Cl)Cl)(Cl)(Cl)Cl,carcinogenic
+48413847,C1=C(C(=C(C(=C1Cl)Cl)CC2=C(C(=CC(=C2Cl)Cl)Cl)O)O)Cl,non-carcinogenic
+48413848,CC=CC=CC=O,carcinogenic
+48413849,CN(C)C(=O)NC1CC2CC1C3C2CCC3,non-carcinogenic
+48413850,C1N2CN3CN1CN(C2)C3,non-carcinogenic
+48413851,C(N(CO)C1=NC(=NC(=N1)N(CO)CO)N(CO)CO)O,carcinogenic
+48413853,CCCCCC=NN(C)C=O,carcinogenic
+48413857,CCCCCCN(C(=O)N)N=O,carcinogenic
+48413858,CCCCCCC1=C(C=C(C=C1)O)O,non-carcinogenic
+48413859,C1=C(NC=N1)CC(C(=O)O)N.Cl,non-carcinogenic
+48413861,NN,carcinogenic
+48413862,NN.OS(=O)(=O)O,carcinogenic
+48413863,C1=CC(=CC=C1C2=CSC(=N2)NN)N,carcinogenic
+48413864,C1=C(OC(=C1)[N+](=O)[O-])C2=CSC(=N2)NN,carcinogenic
+48413865,C1=CC(=CC=C1C2=CSC(=N2)NN)[N+](=O)[O-],carcinogenic
+48413868,C1=CC(=CC=C1C(=O)O)NN.Cl,carcinogenic
+48413869,C1=CC=C(C=C1)NNC2=CC=CC=C2,carcinogenic
+48413871,C(C(F)(F)F)(Cl)Cl,carcinogenic
+48413872,C1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl,non-carcinogenic
+48413873,CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)CO)O)C)O,non-carcinogenic
+48413875,C1=CC(=CC=C1O)O,carcinogenic
+48413876,C1=CC=C(C=C1)COC2=CC=C(C=C2)O,non-carcinogenic
+48413878,CC(=O)N(C1=CC2=C(C=C1)C3=CC=CC=C3C2)O,carcinogenic
+48413881,C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)O,carcinogenic
+48413884,CCNC(=O)N(CCO)N=O,carcinogenic
+48413885,C(CO)N(C(=O)N)N=O,carcinogenic
+48413888,C(CN(C(=O)N)N=O)CO,carcinogenic
+48413889,C1=CC2=C(C(=C1)O)N=CC=C2,non-carcinogenic
+48413890,C=CC(C1=CC2=C(C=C1)OCO2)O,carcinogenic
+48413892,CC(CN1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2,carcinogenic
+48413893,C1=CN(N=C1NC(=NCC(F)(F)F)N)CCCCC(=O)N,carcinogenic
+48413894,CS(=O)(=O)OCCCNCCCOS(=O)(=O)C.Cl,non-carcinogenic
+48413895,C(C(=O)O)NCC(=O)[O-].[Na+],non-carcinogenic
+48413897,C1=CC=C2C(=C1)C(=CN2)CC(=O)O,non-carcinogenic
+48413898,CC1(C2=C(C=CC(=C2)C3=NNC(=O)CC3)NC1=O)C,carcinogenic
+48413900,CC(C1OCC(O1)CO)I,carcinogenic
+48413902,C(I)(I)I,non-carcinogenic
+48413903,CCN(CC)CCCNC(=O)CN1C(=C(C=N1)C2=CC=CC=C2)C3=CC=CC=C3.C(=CC(=O)O)C(=O)O,non-carcinogenic
+48413904,CN1C2=C(C3=C(C=C2)N=CC=C3)N=C1N,carcinogenic
+48413905,CN1C2=C(C3=C(C=C2)N=CC=C3)N=C1N.Cl,carcinogenic
+48413907,CC=C1CC(C(C(=O)OCC2=CC[N+]3(C2C(CC3)OC1=O)[O-])(CO)O)C,carcinogenic
+48413909,CC(C)COC(=O)C1=CC=C(C=C1)O,non-carcinogenic
+48413910,CC(C)CON=O,carcinogenic
+48413912,CC(C)C=O,non-carcinogenic
+48413913,C(C(F)(F)F)(OC(F)F)Cl,non-carcinogenic
+48413914,C(C1C(C(C(C(O1)OCC(C(C(C(CO)O)O)O)O)O)O)O)O,non-carcinogenic
+48413915,COC1=C(C=CC(=C1)S(=O)C)C2=NC3=C(N2)C=NC=C3,carcinogenic
+48413916,C1=CN=CC=C1C(=O)NN,carcinogenic
+48413917,C1=CN=CC=C1C(=O)N,non-carcinogenic
+48413918,C1=CN=CC=C1C(=O)O,non-carcinogenic
+48413919,COC1=CC(=CNNC(=O)C2=CC=NC=C2)C=CC1=O,carcinogenic
+48413920,CC1=CC(=O)CC(C1)(C)C,carcinogenic
+48413921,C1CN(P(=O)(OC1)NCCCl)CCCl,carcinogenic
+48413922,CC(=C)C=C,carcinogenic
+48413923,CC(C)O,non-carcinogenic
+48413924,CC(C)OC1=CC=C(C=C1)NC2=CC=CC=C2,non-carcinogenic
+48413925,CC(C)OC(=O)NC1=CC(=CC=C1)Cl,non-carcinogenic
+48413926,CC1=NN(C(=C1)OC(=O)N(C)C)C(C)C,non-carcinogenic
+48413927,CC(C)OC(=O)NC1=CC=CC=C1,non-carcinogenic
+48413928,CC=CC1=CC2=C(C=C1)OCO2,non-carcinogenic
+48413930,CC1CC=CC=CC(C(CC(C(C(C(CC(=O)O1)OC(=O)C)OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)OC(=O)CC(C)C)(C)O)N(C)C)O)CC=O)C)O,non-carcinogenic
+48413931,C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O,non-carcinogenic
+48413933,C1(=O)C2(C3(C4(C1(C5(C2(C3(C(C45Cl)(Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl,carcinogenic
+48413935,C1=C(OC=C(C1=O)O)CO,carcinogenic
+48413936,CC=C(C)C(=O)OC1CCN2C1C(=CC2)COC(=O)C(C(C)OC)(C(C)(C)O)O,carcinogenic
+48413938,CC(=O)O[Pb]OC(=O)C.O.O.O.O.[Pb].[Pb],carcinogenic
+48413939,CN(C)C(=S)S[Pb]SC(=S)N(C)C,non-carcinogenic
+48413941,CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O.Cl,non-carcinogenic
+48413943,CC(CCC(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C,non-carcinogenic
+48413945,CC(C1=NCCN1)OC2=C(C=CC=C2Cl)Cl.Cl,non-carcinogenic
+48413946,C1=CC=C2C(=C1)C(=NN2CC3=C(C=C(C=C3)Cl)Cl)C(=O)O,non-carcinogenic
+48413947,CN1C(=C(C2=C(S1(=O)=O)C=C(S2)Cl)O)C(=O)NC3=CC=CC=N3,non-carcinogenic
+48413948,CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)C,carcinogenic
+48413949,CN1C(=NC(=N1)CO)NCCCOC2=CC=CC(=C2)CN3CCCCC3,carcinogenic
+48413950,CC1=NC=C(C=C1)CC2=CN=C(NC2=O)NCCSCC3=CC=C(O3)CN(C)C.Cl.Cl.Cl,carcinogenic
+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,carcinogenic
+48413953,O.O.O.O.O.O.[Mg+2].[Cl-].[Cl-],non-carcinogenic
+48413954,CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC,non-carcinogenic
+48413955,CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC,non-carcinogenic
+48413956,C1=CC(=O)NNC1=O,non-carcinogenic
+48413957,C(=C[O-])C=O.[Na+],carcinogenic
+48413959,O.[O-]S(=O)(=O)[O-].[Mn+2],non-carcinogenic
+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-carcinogenic
+48413961,C(C(C(C(C(CO)O)O)O)O)O,non-carcinogenic
+48413963,CC1=C(N=C2C(=C1)C3=CC=CC=C3N2)[NH3+].CC(=O)[O-],carcinogenic
+48413964,CC1=CC2=C(C=CC=N2)C3=C1N(C(=N3)N)C,carcinogenic
+48413965,CC1=CN=C2C=CC3=C(C2=N1)N=C(N3C)N,carcinogenic
+48413967,CC1=CN=C(S1)NC(=O)C2=C(C3=CC=CC=C3S(=O)(=O)N2C)O,non-carcinogenic
+48413968,C1=CC(=CC=C1CC(C(=O)O)N)N(CCCl)CCCl,carcinogenic
+48413969,CC1CCC(C(C1)O)C(C)C,non-carcinogenic
+48413971,C1=CC=C2C(=C1)NC(=S)S2,carcinogenic
+48413972,C1=CC=C2C(=C1)N=C(S2)[S-].C1=CC=C2C(=C1)N=C(S2)[S-].[Zn+2],non-carcinogenic
+48413974,C1=NC2=C(N1)C(=S)N=CN2,non-carcinogenic
+48413978,CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)OC,non-carcinogenic
+48413980,CC(=C)C#N,non-carcinogenic
+48413981,CN(C)CCN(CC1=CC=CO1)C2=CC=CC=N2,non-carcinogenic
+48413982,CN(C)CCN(CC1=CC=CS1)C2=CC=CC=C2,non-carcinogenic
+48413983,CN(C)CCN(CC1=CC=CS1)C2=CC=CC=N2.Cl,carcinogenic
+48413985,CN1C=CNC1=S,carcinogenic
+48413986,CSCCC(C(=O)O)N,non-carcinogenic
+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-carcinogenic
+48413988,COC1=C(C=CC(=C1)N)N=NC2=CC=CC=C2,non-carcinogenic
+48413990,COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)N,carcinogenic
+48413992,COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)C(Cl)(Cl)Cl,non-carcinogenic
+48413993,COC1=CC=C(C=C1)O,carcinogenic
+48413994,COC(C1=CC=CC=C1)C(=O)O,non-carcinogenic
+48413995,COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2,carcinogenic
+48413996,CCN=[N+](C)[O-],carcinogenic
+48413997,CBr,non-carcinogenic
+48413998,CC(C)(C)OC,carcinogenic
+48413999,COC(=O)N,carcinogenic
+48414000,COC(=O)NN,non-carcinogenic
+48414001,CC1=C(C=CC(=C1)Cl)OCC(=O)O,non-carcinogenic
+48414002,CC(C)(C(=O)OC)OC1=CC=C(C=C1)C2=CC=C(C=C2)Cl,carcinogenic
+48414003,CN1C=C(C(=O)C2=C1N=C(C=C2)C=CC3=CC=C(O3)[N+](=O)[O-])C(=O)[O-].[K+],carcinogenic
+48414006,CN(C=O)N,carcinogenic
+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-carcinogenic
+48414010,CC(=C)C(=O)OC,non-carcinogenic
+48414011,COS(=O)(=O)C,carcinogenic
+48414012,CN(C(=N[N+](=O)[O-])N)N=O,carcinogenic
+48414013,CC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-],carcinogenic
+48414015,CN(C1=CC=C(C=C1)C=CC2=CC=NC3=CC=CC=C23)N=O,carcinogenic
+48414016,CN(C(=O)C1=CC=CC=C1)N=O,carcinogenic
+48414017,CN(C(=O)NCCCC(C(=O)O)N)N=O,carcinogenic
+48414021,COP(=S)(OC)OC1=CC=C(C=C1)[N+](=O)[O-],non-carcinogenic
+48414022,CN1CCCC1=O,carcinogenic
+48414023,CNC1=NC=NC2=C1NC=N2,non-carcinogenic
+48414024,CNC1=NC=NC2=C1N=CN2C3C(C(C(O3)CO)O)O,non-carcinogenic
+48414026,CC(C)CC=NN(C)C=O,carcinogenic
+48414027,CC1=CC(=C(C=C1)O)O,carcinogenic
+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-carcinogenic
+48414030,CC(C)C(=O)OC1=C(C=C(C=C1)CCNC)OC(=O)C(C)C.Cl,non-carcinogenic
+48414031,C1=CC(=C(C=C1CC2=CC(=C(C=C2)N)Cl)Cl)N,carcinogenic
+48414033,CC1=C(C=CC(=C1)CC2=CC(=C(C=C2)N)C)N,carcinogenic
+48414034,C(Cl)Cl,carcinogenic
+48414035,CN(C)C1=CC=C(C=C1)CC2=CC=C(C=C2)N(C)C,carcinogenic
+48414036,CC1=CC(=C(C(=C1)C(C)(C)C)O)CC2=C(C(=CC(=C2)C)C(C)(C)C)O,non-carcinogenic
+48414037,C1=CC(=CC=C1CC2=CC=C(C=C2)N)N.Cl.Cl,carcinogenic
+48414038,CCC(=NO)C,carcinogenic
+48414039,COC1=C(C=C(C=C1)CC=C)OC,carcinogenic
+48414042,CNN,carcinogenic
+48414043,CN[NH3+].OS(=O)(=O)[O-],carcinogenic
+48414045,CC1=NC=CN1,carcinogenic
+48414046,CC1=CC=CC2=CC=CC=C12,non-carcinogenic
+48414047,CC1=CC2=CC=CC=C2C=C1,non-carcinogenic
+48414048,CN[N+](=O)[O-],carcinogenic
+48414049,CN(CCCC(C1=CN=CC=C1)O)N=O,carcinogenic
+48414050,CN(CCCC(=O)C1=CN=CC=C1)N=O,carcinogenic
+48414052,CN(C1=NC=NC2=C1N=CN2C3C(C(C(O3)CO)O)O)N=O,carcinogenic
+48414054,C=CC(=O)NCO,carcinogenic
+48414055,COC(=O)C(C1CCCCN1)C2=CC=CC=C2.Cl,carcinogenic
+48414056,CC1=CC2=C(C=C1)N=CC=C2,non-carcinogenic
+48414057,CC1=CC=CC2=C1N=CC=C2,non-carcinogenic
+48414058,CC1=CC=C(C=C1)C=C,non-carcinogenic
+48414060,CC1=CC2=C(C=C1)SC3=CC=CC=C3N=C2N4CCN(CC4)C,non-carcinogenic
+48414061,C(CNC(=S)[S-])NC(=S)[S-].[Zn+2],non-carcinogenic
+48414062,CC1=NC=C(N1CCO)[N+](=O)[O-],carcinogenic
+48414063,CC1=CC(=CC(=C1N(C)C)C)OC(=O)NC,non-carcinogenic
+48414064,CN(C)C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)N(C)C,carcinogenic
+48414065,C12(C3(C4(C5(C3(C(C1(C5(C2(C4(Cl)Cl)Cl)Cl)Cl)(Cl)Cl)Cl)Cl)Cl)Cl)Cl,carcinogenic
+48414067,CCCCC(C)(CC=CC1C(CC(=O)C1CCCCCCC(=O)OC)O)O,non-carcinogenic
+48414068,CC1=C(C(=O)C2=C(C1=O)N3CC4C(C3(C2COC(=O)N)OC)N4)N,carcinogenic
+48414069,O=[Mo](=O)=O,carcinogenic
+48414070,CC(=O)NN,carcinogenic
+48414071,C(C(=O)O)Cl,non-carcinogenic
+48414073,C[As](=O)(O)O,non-carcinogenic
+48414075,C(C(C(=O)[O-])N)C(=O)O.[Na+],non-carcinogenic
+48414077,C(CC(=O)O)C(C(=O)[O-])N.[Na+],non-carcinogenic
+48414078,C(CC(=O)[O-])C(=O)O.[Na+],non-carcinogenic
+48414080,C1COCCN1CC2CN(C(=O)O2)N=CC3=CC=C(O3)[N+](=O)[O-].Cl,carcinogenic
+48414082,CC(C)(C(=O)O)OC1=CC=C(C=C1)C2CCCC3=CC=CC=C23,carcinogenic
+48414083,CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)O,carcinogenic
+48414084,C1=CC=C2C=CC=CC2=C1,carcinogenic
+48414085,C1=CC=C2C(=C1)C=CC=C2CC(=O)N,non-carcinogenic
+48414086,C1=CC=C2C(=C1)C=CC=C2CC(=O)O,non-carcinogenic
+48414087,C1=CC2=C(C=CC=C2N)C(=C1)N,carcinogenic
+48414088,C1=CC=C2C(=C1)C=CC=C2NCCN.Cl.Cl,non-carcinogenic
+48414089,C1=CC=C2C=C(C=CC2=C1)NC3=CC=C(C=C3)NC4=CC5=CC=CC=C5C=C4,non-carcinogenic
+48414090,C1=CC=C2C(=C1)C=CC=C2NC(=S)N,non-carcinogenic
+48414092,C1=CC=C2C=C(C=CC2=C1)N,carcinogenic
+48414093,C1=CC=C2C(=C1)C=CC(=C2S(=O)(=O)O)N,non-carcinogenic
+48414094,CC1=C(C(=CC=C1)C)NC(=O)CN2CCCC2=O,non-carcinogenic
+48414096,[Ni],non-carcinogenic
+48414097,CC(=O)[O-].CC(=O)[O-].[Ni+2],non-carcinogenic
+48414098,CCCCN(CCCC)C(=S)[S-].CCCCN(CCCC)C(=S)[S-].[Ni+2],non-carcinogenic
+48414099,O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[Ni+2],non-carcinogenic
+48414100,C1=CC(=CN=C1)C(=O)N,non-carcinogenic
+48414101,CN1CCCC1C2=CN=CC=C2,non-carcinogenic
+48414102,CN1CCCC1C2=CN=CC=C2.Cl,non-carcinogenic
+48414103,C1=CC(=CN=C1)C(=O)O,non-carcinogenic
+48414104,C1=CC(=CN=C1)C(=O)NN,carcinogenic
+48414107,CCNC(=O)NC1=NC=C(S1)[N+](=O)[O-],carcinogenic
+48414108,[N+](=O)([O-])[O-].[Na+],non-carcinogenic
+48414110,C(C(=O)O)N(CC(=O)O)CC(=O)O,carcinogenic
+48414111,C(C(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].O.[Na+].[Na+].[Na+],carcinogenic
+48414112,N(=O)[O-].[Na+],carcinogenic
+48414114,COC1=C(C=C(C=C1)[N+](=O)[O-])N,carcinogenic
+48414115,C1=C(OC(=C1)[N+](=O)[O-])C=NNC(=O)N,carcinogenic
+48414118,C1=CC2=NC=C(N2C=C1)C3=CC=C(O3)[N+](=O)[O-],carcinogenic
+48414120,CC(=O)NCC1=NC(=NO1)C2=CC=C(O2)[N+](=O)[O-],carcinogenic
+48414121,CC(=O)NC1=NN=C(S1)C2=CC=C(O2)[N+](=O)[O-],carcinogenic
+48414122,C1=C(OC(=C1)[N+](=O)[O-])C2=CSC=N2,carcinogenic
+48414123,CC(=O)NC1=NC(=CS1)C2=CC=C(O2)[N+](=O)[O-],carcinogenic
+48414124,C1=C(OC(=C1)[N+](=O)[O-])C2=CSC(=N2)NC=O,carcinogenic
+48414126,CCC=C(CC)[N+](=O)[O-],carcinogenic
+48414127,C1=CC(=C(C=C1[As](=O)(O)O)[N+](=O)[O-])O,non-carcinogenic
+48414129,C1=CC(=C(C=C1[N+](=O)[O-])N)N,non-carcinogenic
+48414130,CC1=C(C=C(C=C1)[N+](=O)[O-])N,carcinogenic
+48414131,C1CC2=CC=CC3=C(C=CC1=C23)[N+](=O)[O-],carcinogenic
+48414132,C1=CC(=CC=C1N)[N+](=O)[O-],non-carcinogenic
+48414133,COC1=CC=CC=C1[N+](=O)[O-],carcinogenic
+48414134,C1=CC(=C(C=C1[N+](=O)[O-])N)C(=O)O,non-carcinogenic
+48414135,C1=CC=C(C=C1)[N+](=O)[O-],carcinogenic
+48414136,C1=CC2=C(C=C1[N+](=O)[O-])NC=N2,carcinogenic
+48414140,CC[N+](=O)[O-],non-carcinogenic
+48414141,C1=CC(=CC=C1[N+](=O)[O-])OC2=C(C=C(C=C2)Cl)Cl,carcinogenic
+48414142,C1C2=CC=CC=C2C3=C1C=C(C=C3)[N+](=O)[O-],carcinogenic
+48414143,C1C(=O)NC(=O)N1N=CC2=CC=C(O2)[N+](=O)[O-],carcinogenic
+48414144,C1CN(C(=O)N1)N=CC2=CC=C(O2)[N+](=O)[O-],carcinogenic
+48414148,C[N+](=O)[O-],carcinogenic
+48414149,C1=CC=C2C(=C1)C=CC=C2[N+](=O)[O-],non-carcinogenic
+48414151,CCC[N+](=O)[O-],non-carcinogenic
+48414152,CC(C)[N+](=O)[O-],non-carcinogenic
+48414153,C(C[N+](=O)[O-])C(=O)O,non-carcinogenic
+48414154,C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)[N+](=O)[O-],carcinogenic
+48414155,C1=CC2=C(C=CC(=C2)[N+](=O)[O-])N=C1,non-carcinogenic
+48414156,C1=CC2=C(C(=C1)[N+](=O)[O-])N=CC=C2,carcinogenic
+48414158,C(CC(F)(F)F)CN(CCCC(F)(F)F)N=O,carcinogenic
+48414159,CC1CN(C(=O)NC1=O)N=O,non-carcinogenic
+48414160,C1CN(C(=O)NC1=O)N=O,carcinogenic
+48414161,CC(CN(CC(CO)O)N=O)O,carcinogenic
+48414162,CC(=O)CN(CC(CO)O)N=O,carcinogenic
+48414165,C(CCl)NC(=O)N(CCO)N=O,carcinogenic
+48414167,CC(CN(C(=O)NCCCl)N=O)O,carcinogenic
+48414168,CC(CN(CCO)N=O)O,carcinogenic
+48414171,CCCCCCCCCCCCN(C)N=O,carcinogenic
+48414174,CN(CCC1=CC=CC=C1)N=O,carcinogenic
+48414175,CCCCCCCCCCCCCCN(C)N=O,carcinogenic
+48414176,CCCCCCCCCCN(C)N=O,carcinogenic
+48414177,CN(C(=O)N)N=O,carcinogenic
+48414178,C1COC(=O)N1N=O,carcinogenic
+48414179,CC(=O)CN(CCO)N=O,carcinogenic
+48414181,C1CN(CC=C1)N=O,carcinogenic
+48414182,CCN(CC(F)(F)F)N=O,carcinogenic
+48414184,CC1CN(CC(N1C)C)N=O,carcinogenic
+48414185,C=CCN(CC(CO)O)N=O,carcinogenic
+48414186,CC(CN(CC=C)N=O)O,carcinogenic
+48414187,CC(=O)CN(CC=C)N=O,carcinogenic
+48414188,C=CCN(CCO)N=O,carcinogenic
+48414189,CCCCCN(C(=O)OCC)N=O,carcinogenic
+48414190,C1CCN(C(C1)C2=CN=CC=C2)N=O,carcinogenic
+48414192,CC(CN(CC(C)O)N=O)O,carcinogenic
+48414193,CC(=O)CN(CC(=O)C)N=O,carcinogenic
+48414194,C(C(F)(F)F)N(CC(F)(F)F)N=O,non-carcinogenic
+48414195,CN(C1=NC2=C(C=C(C=C2)Cl)C(=[N+](C1)[O-])C3=CC=CC=C3)N=O,non-carcinogenic
+48414196,CC1=C(N=CN1)CSCCN=C(NC#N)N(C)N=O,non-carcinogenic
+48414197,CCCCN(CCCC)N=O,carcinogenic
+48414198,C(CO)N(CCO)N=O,carcinogenic
+48414199,CCN(CC)N=O,carcinogenic
+48414200,CN(C)N=O,carcinogenic
+48414201,C1=CC=C(C=C1)N(C2=CC=CC=C2)N=O,carcinogenic
+48414202,C1=CC=C(C=C1)NC2=CC=C(C=C2)N=O,carcinogenic
+48414203,CCCN(CCC)N=O,carcinogenic
+48414205,C1CCCCCCN(CCCCC1)N=O,carcinogenic
+48414206,CC(C(C1=CC=CC=C1)O)N(C)N=O,carcinogenic
+48414207,CCN(C)N=O,carcinogenic
+48414208,CCN(C(=O)OCC)N=O,carcinogenic
+48414210,C1CCCN(CCC1)N=O,carcinogenic
+48414211,C1CCCN(CC1)N=O,carcinogenic
+48414212,C1C(=O)NC(=O)N1N=O,carcinogenic
+48414213,C1C(CN(C1C(=O)O)N=O)O,non-carcinogenic
+48414214,C(C(=O)O)N(CC(=O)O)N=O,non-carcinogenic
+48414216,CN(CC(CO)O)N=O,carcinogenic
+48414217,CN(CCO)N=O,carcinogenic
+48414218,CN(CCCO)N=O,carcinogenic
+48414219,CC(CN(C)N=O)O,carcinogenic
+48414220,CC(=O)CN(C)N=O,carcinogenic
+48414221,CC1=CC=C(C=C1)S(=O)(=O)OCCN(C)N=O,carcinogenic
+48414225,CN(C1=CC=CC=C1)N=O,carcinogenic
+48414226,COC(=O)C(C1CCCCN1N=O)C2=CC=CC=C2,non-carcinogenic
+48414227,CCCCCCCCCCCN(C)N=O,carcinogenic
+48414228,C1COCCN1N=O,carcinogenic
+48414229,C1CC(N(C1)N=O)C2=CN=CC=C2,carcinogenic
+48414230,C1CC(N(C1)N=O)C2=C[N+](=CC=C2)[O-],carcinogenic
+48414231,C1CCN(C(C1)C(=O)O)N=O,non-carcinogenic
+48414232,C1CN(CCN1)N=O,carcinogenic
+48414233,C1CCN(CC1)N=O,carcinogenic
+48414234,C1CC(N(C1)N=O)C(=O)O,non-carcinogenic
+48414235,C1CCN(C1)N=O,carcinogenic
+48414236,CC1N(C(SC(S1)C)C)N=O,carcinogenic
+48414237,C1CSCCN1N=O,carcinogenic
+48414238,CC1=CC=CC=C1N=O,carcinogenic
+48414239,CC1=CC=CC=C1[N+](=O)[O-],carcinogenic
+48414241,N#[N+][O-],non-carcinogenic
+48414243,C1=C(C(=C(C(=C1Br)Br)Br)C2=C(C(=C(C(=C2Br)Br)Br)Br)Br)Br,carcinogenic
+48414244,CC12CCC3C(C1CCC2(C#C)O)CCC4=C3CCC(=O)C4,non-carcinogenic
+48414246,CC(=O)OC1(CCC2C1(CCC3C2CCC4=CC(=O)CCC34)C)C#C,carcinogenic
+48414247,C1=CC=C(C=C1)C(=O)OOC(=O)C2=CC=CC=C2,non-carcinogenic
+48414248,CC1CC2=C(C=C(C(=C2C(=O)O1)O)C(=O)NC(CC3=CC=CC=C3)C(=O)O)Cl,carcinogenic
+48414249,C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)C(=C(Cl)Cl)Cl,non-carcinogenic
+48414252,CCCCCCCCC=CCCCCCCCC(=O)[O-].[Na+],non-carcinogenic
+48414254,CC1=C(SSC1=S)C2=NC=CN=C2,non-carcinogenic
+48414255,CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC,carcinogenic
+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-carcinogenic
+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-carcinogenic
+48414260,CNCC1=CC=C(O1)CSCCNC(=NCC(C2=CC=C(C=C2)O)O)NS(=O)(=O)C,carcinogenic
+48414262,CNC(=O)ON=C(C(=O)N(C)C)SC,non-carcinogenic
+48414263,C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)O,carcinogenic
+48414264,CC(=O)NC1=CC2=C(C=C1)C3=CC=CC=C3C2=O,carcinogenic
+48414266,CC(=O)CN(C(=O)NCCCl)N=O,carcinogenic
+48414267,CC(=O)CN(C(=O)N)N=O,carcinogenic
+48414269,CC(C)NCC(COC1=CC=CC=C1OCC=C)O.Cl,non-carcinogenic
+48414270,C1=CC(=CC=C1N)OC2=CC=C(C=C2)N,carcinogenic
+48414271,C1COCCN1C(=S)SN2CCOCC2,carcinogenic
+48414272,C1COCCN1SC2=NC3=CC=CC=C3S2,non-carcinogenic
+48414273,CC12CCC3C(C1CCC2(C)O)CCC4C3(CC(=CO)C(=O)C4)C,carcinogenic
+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-carcinogenic
+48414276,CC1=C(C(C(=C(N1)C)C(=O)OCC(C)(C)CN(C)CC2=CC=CC=C2)C3=C(C=CC(=C3)[N+](=O)[O-])F)C(=O)OC.Cl,non-carcinogenic
+48414277,CCOP(=S)(OCC)OC1=CC=C(C=C1)[N+](=O)[O-],non-carcinogenic
+48414279,CC1(C(N2C(S1)C(C2=O)NC(=O)COC3=CC=CC=C3)C(=O)[O-])C.[K+],non-carcinogenic
+48414280,COC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl,carcinogenic
+48414281,C(C(Cl)(Cl)Cl)(Cl)Cl,carcinogenic
+48414283,C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)O,carcinogenic
+48414283,C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)O,carcinogenic
+48414283,C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)O,carcinogenic
+48414286,C(C(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-])O[N+](=O)[O-],non-carcinogenic
+48414287,CCCCC=NN(C)C=O,carcinogenic
+48414289,CCCCCNN.Cl,carcinogenic
+48414291,C1CCC(CC1)C(CC2CCCCN2)C3CCCCC3.C(=CC(=O)O)C(=O)O,non-carcinogenic
+48414292,CC1CC2(C(O2)C)C(=O)OC3CCN(CC=C(C3=O)COC(=O)C1(C)O)C,carcinogenic
+48414293,CCOC1=CC=C(C=C1)NC(=O)C,carcinogenic
+48414294,CC1=CC(=O)N(N1C)C2=CC=CC=C2,carcinogenic
+48414295,C1=CC=C(C=C1)N=NC2=C(N=C(C=C2)N)N.Cl,carcinogenic
+48414296,CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CC5=CC=C(C=C5)N(CCCl)CCCl)C)C,carcinogenic
+48414298,C1=CC=C(C=C1)CCN=C(N)N=C(N)N.Cl,non-carcinogenic
+48414299,CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2,carcinogenic
+48414300,CCC1(C(=O)NC(=NC1=O)[O-])C2=CC=CC=C2.[Na+],carcinogenic
+48414301,C1=CC=C(C=C1)O,non-carcinogenic
+48414302,C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O,carcinogenic
+48414303,C1=CC=C2C(=C1)NC3=CC=CC=C3S2,non-carcinogenic
+48414304,CC(COC1=CC=CC=C1)N(CCCl)CC2=CC=CC=C2.Cl,carcinogenic
+48414306,C1=CC=C(C=C1)N=C=S,non-carcinogenic
+48414307,CC1=NN(C(=O)C1)C2=CC=CC=C2,non-carcinogenic
+48414308,C1=CC=C(C=C1)NC2=CC3=CC=CC=C3C=C2,non-carcinogenic
+48414309,C1=CC=C(C=C1)NC2=CC=C(C=C2)N.Cl,non-carcinogenic
+48414310,C1=CC=C(C=C1)C(COC(=O)N)COC(=O)N,carcinogenic
+48414311,C1=CC=C(C=C1)C(=CCCCCC(=O)O)C2=CN=CC=C2,non-carcinogenic
+48414312,C1=CC=C(C=C1)NC(=S)N,non-carcinogenic
+48414313,C1=CC=C(C=C1)NN=C2C(=O)C=CC3=CC=CC=C32,carcinogenic
+48414314,CCCCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3,carcinogenic
+48414315,C1=CC(=CC(=C1)N)N,non-carcinogenic
+48414316,C1=CC(=CC=C1N)N,non-carcinogenic
+48414317,C1=CC(=CC(=C1)N)N.Cl.Cl,non-carcinogenic
+48414318,C1=CC=C(C(=C1)N)N.Cl.Cl,carcinogenic
+48414319,C1=CC(=CC=C1N)N.Cl.Cl,non-carcinogenic
+48414320,CNCC(C1=CC(=CC=C1)O)O.Cl,non-carcinogenic
+48414322,C1=CC=C(C=C1)CCNN.OS(=O)(=O)O,carcinogenic
+48414323,C1C(O1)COC2=CC=CC=C2,carcinogenic
+48414326,C1=CC=C(C=C1)NN.Cl,carcinogenic
+48414327,CC(CC1=CC=CC=C1)NN.Cl,non-carcinogenic
+48414328,CC(=O)O[Hg]C1=CC=CC=C1,non-carcinogenic
+48414330,C1=CC=C(C=C1)C2=CC=C(C=C2)O,non-carcinogenic
+48414331,C1=CC=C(C=C1)C2=CC=CC=C2[O-].[Na+],carcinogenic
+48414333,CN1C2=C(N=CC(=C2)C3=CC=CC=C3)N=C1N.Cl,carcinogenic
+48414335,CCN(CC)C(=O)C(=C(C)OP(=O)(OC)OC)Cl,non-carcinogenic
+48414336,P,non-carcinogenic
+48414337,C1=CC=C(C(=C1)C(=O)N)C(=O)N,non-carcinogenic
+48414338,C1=CC=C2C(=C1)C(=O)OC2=O,non-carcinogenic
+48414339,C1(=C(C(=NC(=C1Cl)Cl)C(=O)O)Cl)N,non-carcinogenic
+48414340,CC(CN(C)C1=NN=C(C=C1)NN)O.Cl.Cl,non-carcinogenic
+48414341,CCC1C(COC1=O)CC2=CN=CN2C,non-carcinogenic
+48414342,CC1CC=CC=CC=CC=CC(CC2C(C(CC(O2)(CC(CC3C(O3)C=CC(=O)O1)O)O)O)C(=O)O)OC4C(C(C(C(O4)C)O)N)O,non-carcinogenic
+48414343,C1CNCCN1,non-carcinogenic
+48414344,C1CCNCC1,non-carcinogenic
+48414345,CCCCOCCOCCOCC1=CC2=C(C=C1CCC)OCO2,carcinogenic
+48414345,CCCCOCCOCCOCC1=CC2=C(C=C1CCC)OCO2,carcinogenic
+48414348,CC1CCCC(N1CCCC(C2=CC=CC=C2)(C3=CC=CC=N3)O)C.Cl,non-carcinogenic
+48414350,CC1(COC1=O)C,carcinogenic
+48414352,C1=C(C(=CC(=C1Br)Br)Br)C2=CC(=C(C=C2Br)Br)Br,carcinogenic
+48414355,CCCCCCCCCC1=CC=C(C=C1)OCCOCCO,non-carcinogenic
+48414356,CCCCCCCCC=CCCCCCCCC(=O)OCCOCC(C1C(CC(O1)OCCO)OCCO)OCCO,non-carcinogenic
+48414357,C=CC1=CC=CC=[N+]1[O-],non-carcinogenic
+48414358,C(=O)(O)[O-].[K+],carcinogenic
+48414359,[Cl-].[K+],non-carcinogenic
+48414360,[K+].[I-],carcinogenic
+48414361,CC(C)NCC(COC1=CC=C(C=C1)NC(=O)C)O,non-carcinogenic
+48414362,C1=CC=C(C=C1)CCCCOC2=CC=C(C=C2)C(=O)NC3=CC=CC4=C3OC(=CC4=O)C5=NNN=N5.C1=CC=C(C=C1)CCCCOC2=CC=C(C=C2)C(=O)NC3=CC=CC4=C3OC(=CC4=O)C5=NNN=N5.O,non-carcinogenic
+48414363,C1CC1CN2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4,non-carcinogenic
+48414364,C1CCC(CC1)C(=O)N2CC3C4=CC=CC=C4CCN3C(=O)C2,non-carcinogenic
+48414367,CC12CC(=O)C3C(C1CCC2(C(=O)CO)O)CCC4=CC(=O)C=CC34C,non-carcinogenic
+48414368,CC12CCC3C(=CCC4=C3C=CC(=C4)OS(=O)(=O)[O-])C1CCC2=O.[Na+],non-carcinogenic
+48414369,CC1=CC=CC=C1OCC(CNCCN2C=C(C(=O)NC2=O)C)O.Cl,non-carcinogenic
+48414370,CCC1(C(=O)NCNC1=O)C2=CC=CC=C2,carcinogenic
+48414373,CC(C)NC(=O)C1=CC=C(C=C1)CNNC.Cl,carcinogenic
+48414375,CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)N(C)C.Cl,non-carcinogenic
+48414376,CC(C)NCC(C1=CC2=CC=CC=C2C=C1)O,non-carcinogenic
+48414377,CC(C)NCC(C1=CC2=CC=CC=C2C=C1)O.Cl,non-carcinogenic
+48414378,C1COS(=O)(=O)C1,carcinogenic
+48414379,CC(C)NC1=NC(=NC(=N1)Cl)NC(C)C,non-carcinogenic
+48414380,C1COC1=O,carcinogenic
+48414381,CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O.Cl,non-carcinogenic
+48414382,CCCCN(CC)C(=O)SCCC,non-carcinogenic
+48414383,CCCN(C=O)N,carcinogenic
+48414384,CCCOC(=O)C1=CC(=C(C(=C1)O)O)O,non-carcinogenic
+48414385,CCCOC(=O)C1C(CC2=CC3=C(C=C2C1C(=O)OCCC)OCO3)C,non-carcinogenic
+48414387,CCCN(C(=O)N)N=O,carcinogenic
+48414388,CC=C,non-carcinogenic
+48414389,CC(CO)O,non-carcinogenic
+48414390,CC(COC(C)(C)C)O,carcinogenic
+48414391,CC1CO1,carcinogenic
+48414392,CCCNN.Cl,carcinogenic
+48414393,CCCC1=CC(=O)NC(=S)N1,carcinogenic
+48414394,CC1=CC2=C(C=C1)C(=NC(=O)N2C(C)C)C3=CC=CC=C3,non-carcinogenic
+48414399,C1=CN=C(C=N1)C(=O)N,non-carcinogenic
+48414400,C1=CC=NC=C1,carcinogenic
+48414401,CN(C)CCN(CC1=CC=C(C=C1)OC)C2=CC=CC=N2.C(=CC(=O)O)C(=O)O,carcinogenic
+48414402,CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl,non-carcinogenic
+48414403,C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O,carcinogenic
+48414404,C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O.O.O,non-carcinogenic
+48414406,CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CC3=CC=CC=C3CC2C(=O)O.Cl,non-carcinogenic
+48414408,CN1C=C(C2=CC=CC=C21)C(=O)C3CCC4=C(C3)NC=N4.Cl,non-carcinogenic
+48414409,CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)N=NC3=C(C=C(C=C3)C4=CC(=C(C=C4)NN=C5C(=O)C=CC6=CC(=CC(=C65)S(=O)(=O)[O-])S(=O)(=O)[O-])C)C.[Na+].[Na+],carcinogenic
+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-carcinogenic
+48414411,CC1=CC(=C(C=C1)NN=C2C(=O)C=CC3=CC=CC=C32)[N+](=O)[O-],carcinogenic
+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-carcinogenic
+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+],carcinogenic
+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],carcinogenic
+48414415,C1=CC=C2C(=C1)C=CC(=C2S(=O)(=O)[O-])NN=C3C(=O)C=CC4=CC=CC=C43.[Na+],non-carcinogenic
+48414416,CC1=CC(=C(C=C1C)NN=C2C3=C(C=C(C=C3)S(=O)(=O)[O-])C=C(C2=O)S(=O)(=O)[O-])C.[Na+].[Na+],carcinogenic
+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-carcinogenic
+48414420,CCN(CC)C1=C(C=C2C(=C1)OC3=CC(=[N+](CC)CC)C(=CC3=C2C4=C(C=C(C=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])C)C.[Na+],non-carcinogenic
+48414421,C1=CC(=C(C=C1N)[N+](=O)[O-])NCCO,non-carcinogenic
+48414422,COC1C(CC2CN3CCC4=C(C3CC2C1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC,carcinogenic
+48414423,C1=CC(=CC(=C1)O)O,non-carcinogenic
+48414424,CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C,non-carcinogenic
+48414425,CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCOC(=O)C)C)C,carcinogenic
+48414426,CCCCCCCCCCCCCCCC(=O)OCC=C(C)C=CC=C(C)C=CC1=C(CCCC1(C)C)C,non-carcinogenic
+48414428,CCNC1=C(C=C2C(=C1)OC3=CC(=NCC)C(=CC3=C2C4=CC=CC=C4C(=O)OCC)C)C.Cl,non-carcinogenic
+48414429,CC=C1CC(=C)C(C(=O)OCC2=CCN3C2C(CC3)OC1=O)(CO)O,carcinogenic
+48414431,CCN1C2=C(C(=N1)C)NC(=O)CN=C2C3=CC=CC=C3,carcinogenic
+48414432,CC1=CC(=C(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N)C=CC1=N.Cl,non-carcinogenic
+48414433,C1=CC(=N)C=CC1=C(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N.Cl,carcinogenic
+48414434,CC(=C)C1CC2=C(O1)C=CC3=C2OC4COC5=CC(=C(C=C5C4C3=O)OC)OC,non-carcinogenic
+48414435,CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O.OS(=O)(=O)O,non-carcinogenic
+48414436,CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O,non-carcinogenic
+48414437,C1=CC=C2C(=C1)C(=O)NS2(=O)=O,non-carcinogenic
+48414440,C=CCC1=CC2=C(C=C1)OCO2,carcinogenic
+48414442,C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NN=C3C=CC(=O)C(=C3)C(=O)O,carcinogenic
+48414444,CN1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4.O.O.O.Br,non-carcinogenic
+48414448,CN(C)C(=S)S[Se](SC(=S)N(C)C)(SC(=S)N(C)C)SC(=S)N(C)C,non-carcinogenic
+48414450,S=[Se],carcinogenic
+48414452,CNC1CCC(C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl.Cl,non-carcinogenic
+48414453,C1OC2=C(O1)C=C(C=C2)O,carcinogenic
+48414454,CCNC1=NC(=NC(=N1)Cl)NCC,non-carcinogenic
+48414455,C(=O)(O)[O-].[Na+],non-carcinogenic
+48414456,C1=C(C=C(C(=C1Cl)[O-])SC2=CC(=CC(=C2[O-])Cl)Cl)Cl.[Na+].[Na+],non-carcinogenic
+48414457,[Na+].[Cl-],non-carcinogenic
+48414458,[O-]Cl=O.[Na+],non-carcinogenic
+48414459,CCC1=C(C2=CC3=NC(=CC4=NC(=C(C5=NC(=C(C5=C([O-])[O-])C)C=C1[N-]2)CC(=O)[O-])C(C4C)CCC(=O)[O-])C(=C3C=C)C)C.[Na+].[Na+].[Na+].[Cu+2],non-carcinogenic
+48414460,CCN(CC)C(=S)[S-].O.O.O.[Na+],non-carcinogenic
+48414461,[O-]Cl.[Na+],non-carcinogenic
+48414462,[O-]P(=O)=O.[Na+],non-carcinogenic
+48414463,CC=CC=CC(=O)O,non-carcinogenic
+48414464,CC(C)NCC(C1=CC=C(C=C1)NS(=O)(=O)C)O.Cl,non-carcinogenic
+48414466,COC1=C2C(=C3C4C=COC4OC3=C1)OC5=C(C2=O)C(=CC=C5)O,carcinogenic
+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-carcinogenic
+48414469,CN(C(=O)NC1C(C(C(OC1O)CO)O)O)N=O,carcinogenic
+48414470,CC1(C(=C)C2(C(C1(C(C2(Cl)Cl)(Cl)Cl)Cl)Cl)Cl)C,carcinogenic
+48414471,C=CC1=CC=CC=C1,carcinogenic
+48414472,C1=CC=C(C=C1)C=C[N+](=O)[O-],non-carcinogenic
+48414473,C1C(O1)C2=CC=CC=C2,carcinogenic
+48414474,C1CC(=O)OC1=O,non-carcinogenic
+48414475,C(C1C(C(C(C(O1)OC2(C(C(C(O2)CCl)O)O)CCl)O)O)Cl)O,non-carcinogenic
+48414476,C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O)O,non-carcinogenic
+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-carcinogenic
+48414478,CCN(CC)C(=S)SCC(=C)Cl,carcinogenic
+48414479,CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N)C,carcinogenic
+48414481,CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)N,non-carcinogenic
+48414482,[O-]S(=O)S(=O)(=O)[O-].[K+].[K+],non-carcinogenic
+48414483,C1C=CCS1(=O)=O,non-carcinogenic
+48414486,CCCCC1(C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)COC(=O)CCC(=O)O,non-carcinogenic
+48414487,CC=C(C)C(=O)OC1CCN2C1C(=CC2)COC(=O)C(C(C)C)(C(C)O)O,carcinogenic
+48414488,CC1=CC2C(CC1OC(=O)CC(C)C)(C3(C(C(C(C34CO4)O2)O)OC(=O)C)C)COC(=O)C,carcinogenic
+48414489,COC1=CC=C(C=C1)C(=C(C2=CC=C(C=C2)OC)Cl)C3=CC=C(C=C3)OC,non-carcinogenic
+48414490,CN1C(=O)CC(NC1=O)C(=O)NC(CC2=CN=CN2)C(=O)N3CCCC3C(=O)N.O.O.O.O,non-carcinogenic
+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,carcinogenic
+48414494,C(CS(=O)(=O)O)N,non-carcinogenic
+48414495,C1CC(OC1)N2C=C(C(=O)NC2=O)F,non-carcinogenic
+48414496,C12C(C(OC1Cl)Cl)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl,non-carcinogenic
+48414497,C(C=CCl)Cl,carcinogenic
+48414497,C(C=CCl)Cl,carcinogenic
+48414499,CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)O)C3=CC=CC=C3,non-carcinogenic
+48414501,C1=CC(=C(C=C1C2=CC(=C(C=C2)N)N)N)N.Cl.Cl.Cl.Cl,carcinogenic
+48414502,COC1=C(C(=C(C(=C1Cl)Cl)[N+](=O)[O-])Cl)Cl,non-carcinogenic
+48414503,C1=C(C(=CC(=C1Cl)N)Cl)C2=CC(=C(C=C2Cl)N)Cl,non-carcinogenic
+48414504,C1=C2C(=CC(=C1Cl)Cl)OC3=CC(=C(C=C3O2)Cl)Cl,carcinogenic
+48414505,C1=CC(=CC=C1S(=O)(=O)C2=CC(=C(C=C2Cl)Cl)Cl)Cl,non-carcinogenic
+48414506,C(C(Cl)(Cl)Cl)Cl,carcinogenic
+48414507,C(C(Cl)Cl)(Cl)Cl,carcinogenic
+48414508,C(=C(Cl)Cl)(Cl)Cl,carcinogenic
+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-carcinogenic
+48414511,CCN(CC)C(=S)SSC(=S)N(CC)CC,non-carcinogenic
+48414514,C(=C(F)F)(F)F,carcinogenic
+48414516,CCCCCC1=CC2=C(C3C=C(CCC3C(O2)(C)C)C)C(=C1)O,non-carcinogenic
+48414517,C1CCOC1,carcinogenic
+48414519,C(O)[P+](CO)(CO)CO.[Cl-],non-carcinogenic
+48414520,C(O)[P+](CO)(CO)CO.C(O)[P+](CO)(CO)CO.[O-]S(=O)(=O)[O-],non-carcinogenic
+48414521,CN(C)C(=S)SSC(=S)N(C)C,non-carcinogenic
+48414522,CN(C)C(=S)SC(=S)N(C)C,non-carcinogenic
+48414523,C([N+](=O)[O-])([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-],carcinogenic
+48414524,CN(C)CCN(CC1=CSC=C1)C2=CC=CC=N2,non-carcinogenic
+48414525,CN1C2=C(C(=O)N(C1=O)C)NC=N2,non-carcinogenic
+48414526,C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3,non-carcinogenic
+48414527,CS(=O)(=O)C1=CC=C(C=C1)C(C(CO)NC(=O)C(Cl)Cl)O,non-carcinogenic
+48414528,C1CN1P(=S)(N2CC2)N3CC3,carcinogenic
+48414529,CC(=S)N,carcinogenic
+48414530,CC1=CC(=C(C=C1SC2=CC(=C(C=C2C)O)C(C)(C)C)C(C)(C)C)O,non-carcinogenic
+48414531,C1=C(C=C(C(=C1Cl)O)SC2=CC(=CC(=C2O)Cl)Cl)Cl,non-carcinogenic
+48414532,C(#N)[S-].[Na+],non-carcinogenic
+48414533,C1=CC(=CC=C1N)SC2=CC=C(C=C2)N,carcinogenic
+48414535,C(=S)(N)NN,non-carcinogenic
+48414536,C1=CNC(=S)NC1=O,carcinogenic
+48414538,CCOC(=O)C1(CCC=CC1N(C)C)C2=CC=CC=C2.C(=CC(=O)O)C(=O)O,non-carcinogenic
+48414539,CC(C)(C)NCC(COC1=CN(C(=O)C2=CC=CC=C21)C)O.Cl,non-carcinogenic
+48414540,[Cl-].[Cl-].[Sn+2],non-carcinogenic
+48414541,O=[Ti]=O,non-carcinogenic
+48414542,C(=O)(C(=O)[O-])O.C(=O)(C(=O)[O-])O.O=[Ti].[K+].[K+],non-carcinogenic
+48414543,C1C=CC=[C-]1.C1C=CC=[C-]1.[Cl-].[Cl-].[Ti+4],non-carcinogenic
+48414545,CC1=C2C(=C(C(=C1C)OC(=O)C)C)CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C,non-carcinogenic
+48414547,CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN2CCCCCC2,non-carcinogenic
+48414548,CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)C,non-carcinogenic
+48414549,CC1=CC=CC=C1,carcinogenic
+48414550,CC1=C(C=C(C=C1)N=C=O)N=C=O,carcinogenic
+48414553,CC1=CC=CC=C1N.Cl,carcinogenic
+48414554,CC1=CC=C(C=C1)N.Cl,carcinogenic
+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-carcinogenic
+48414557,C=C1C(C2(C(C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)(CCl)CCl,carcinogenic
+48414562,C1=CC=C(C=C1)C2=NC3=C(N=C2N)N=C(N=C3N)N,carcinogenic
+48414563,C(Br)(Br)Br,carcinogenic
+48414564,CCCCOP(=O)(OCCCC)OCCCC,carcinogenic
+48414566,C1=C(C(=C(C(=C1[N+](=O)[O-])Cl)Cl)Cl)[N+](=O)[O-],non-carcinogenic
+48414567,C(C(F)(Cl)Cl)(F)(F)Cl,non-carcinogenic
+48414568,C(=O)(C(Cl)(Cl)Cl)O,carcinogenic
+48414569,C1=C(C=C(C(=C1Cl)N)Cl)Cl,carcinogenic
+48414570,C(C(Cl)Cl)Cl,carcinogenic
+48414571,CC(Cl)(Cl)Cl,non-carcinogenic
+48414572,C(=C(Cl)Cl)Cl,carcinogenic
+48414572,C(=C(Cl)Cl)Cl,carcinogenic
+48414574,C(F)(Cl)(Cl)Cl,non-carcinogenic
+48414575,C1=CC=C2C(=C1)C(=O)N(C2=O)SC(Cl)(Cl)Cl,carcinogenic
+48414576,C1=C(C=C(C(=C1Cl)O)Cl)Cl,carcinogenic
+48414577,CC(C(=O)O)OC1=CC(=C(C=C1Cl)Cl)Cl,non-carcinogenic
+48414578,C1=C(C(=CC(=C1Cl)Cl)Cl)OCC(=O)O,non-carcinogenic
+48414580,C(C(CCl)Cl)Cl,carcinogenic
+48414581,CC1=CC=C(C=C1)OP(=O)(OC2=CC=C(C=C2)C)OC3=CC=C(C=C3)C,non-carcinogenic
+48414582,C(CO)N(CCO)CCO,carcinogenic
+48414584,C1=C(OC(=C1)[N+](=O)[O-])C2=CSC(=N2)NC(=O)C(F)(F)F,carcinogenic
+48414585,CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-],carcinogenic
+48414587,CC1=C(C(=O)C(=C(C1=O)C)C(CCCCCC(=O)O)C2=CC=CC=C2)C,non-carcinogenic
+48414588,CC1=CC(=C(C=C1C)N)C,carcinogenic
+48414589,CC1=CC(=C(C=C1C)N)C.Cl,carcinogenic
+48414590,CC1=CC(=C(C(=C1)C)N)C.Cl,carcinogenic
+48414595,CC1=C(C(=C(C(=C1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C)[N+](=O)[O-],carcinogenic
+48414596,C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],non-carcinogenic
+48414597,C(C(CO[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-],carcinogenic
+48414598,CC(=O)O[Sn](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,non-carcinogenic
+48414599,C1=CC=C(C=C1)[Sn](C2=CC=CC=C2)C3=CC=CC=C3.O,non-carcinogenic
+48414600,CC1=CC=C(C=C1)C(=CCN2CCCC2)C3=CC=CC=N3.O.Cl,non-carcinogenic
+48414601,C(CCl)OP(=O)(OCCCl)OCCCl,carcinogenic
+48414603,C(C(CBr)Br)OP(=O)(OCC(CBr)Br)OCC(CBr)Br,carcinogenic
+48414604,C(C(CCl)OP(=O)(OC(CCl)CCl)OC(CCl)CCl)Cl,carcinogenic
+48414608,CC1=C(N=C(C2=C1NC3=CC=CC=C32)C)N.CC(=O)O,carcinogenic
+48414609,CC1=C2C3=CC=CC=C3NC2=CC(=N1)N.CC(=O)O,carcinogenic
+48414611,C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N,non-carcinogenic
+48414612,[O-][W](=O)(=O)[O-].[Na+].[Na+],non-carcinogenic
+48414614,COC1=C(C=CC(=C1)C=CC(=O)CC(=O)C=CC2=CC(=C(C=C2)O)OC)O,non-carcinogenic
+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-carcinogenic
+48414616,C1=CNC(=O)NC1=O,carcinogenic
+48414617,CN1C(=CC(=O)N(C1=O)C)NCCCN2CCN(CC2)C3=CC=CC=C3OC,non-carcinogenic
+48414618,C(=O)(N)N,non-carcinogenic
+48414619,CCOC(=O)N,carcinogenic
+48414620,[O-]S(=O)(=O)[O-].O=[V+2],non-carcinogenic
+48414621,CN(C)C(=S)SSC(=S)N(C)C,non-carcinogenic
+48414623,CC(=O)OC=C,carcinogenic
+48414624,C=CBr,carcinogenic
+48414625,C=COC(=O)N,carcinogenic
+48414626,C=CCl,carcinogenic
+48414627,C=CF,carcinogenic
+48414628,CC1=CC=CC(=C1)C=C,non-carcinogenic
+48414630,C=C(Cl)Cl,carcinogenic
+48414631,C=C(F)F,non-carcinogenic
+48414632,C=CN1CCCC1=O,carcinogenic
+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+],carcinogenic
+48414634,C1C(C(C(C(C1(CO)O)O)O)O)NC(CO)CO,non-carcinogenic
+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-carcinogenic
+48414637,CC1=C(C(=CC=C1)OCC(CNC(C)(C)C)O)C.Cl,non-carcinogenic
+48414639,CC1=CC(=CC=C1)C,carcinogenic
+48414639,CC1=CC(=CC=C1)C,carcinogenic
+48414642,CC1=CC(=C(C=C1)C)N.Cl,carcinogenic
+48414643,CC1=CC(=NNC2=CC=C(C=C2)NC(=O)C)C(=O)C=C1,carcinogenic
+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-carcinogenic
+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-carcinogenic
+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-carcinogenic
+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-carcinogenic
+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-carcinogenic
+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-carcinogenic
+48414651,C1=CC(=C(C=C1[N+](=O)[O-])OCCO)NCCO,non-carcinogenic
+48414652,CC1(CC2=C(O1)C(=CC(=C2)Cl)C(=O)NC3CC4CCC(C3)N4C)C.C(=CC(=O)O)C(=O)O,non-carcinogenic
+48414653,CC1CCCC(=O)CCCC=CC2=CC(=CC(=C2C(=O)O1)O)O,carcinogenic
+48414655,CCCCN(CCCC)C(=S)[S-].CCCCN(CCCC)C(=S)[S-].[Zn+2],non-carcinogenic
+48414656,CCN(CC)C(=S)[S-].CCN(CC)C(=S)[S-].[Zn+2],non-carcinogenic
+48414657,CN(C)C(=S)[S-].CN(C)C(=S)[S-].[Zn+2],carcinogenic
+48414660,[B-](F)(F)(F)F.C1=CC=C(C=C1)[N+]#N,non-carcinogenic
+48414662,CN(C)CCN(C)N=O,carcinogenic
+48414663,CC1CN(CC(O1)C)N=O,carcinogenic
+48414665,CCOC(=O)N(C)N=O,carcinogenic
+48414666,C1COCN1N=O,carcinogenic
+48414667,C1=CC=C(C=C1)CCN(C(=O)N)N=O,carcinogenic
+48414669,[B-](F)(F)(F)F.[Na+],non-carcinogenic
+48414670,CC(=O)NC1=CC2=C(C=C1)C3=C(C2)C=C(C=C3)NC(=O)C,non-carcinogenic
+48414671,CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)CO)O)N)O,non-carcinogenic
+48414672,C[N+](=NCOC1C(C(C(C(O1)CO)O)O)O)[O-],carcinogenic
diff --git a/data/parts/toxicity_data.xlsx b/data/parts/toxicity_data.xlsx
new file mode 100644
index 0000000..19432dd
--- /dev/null
+++ b/data/parts/toxicity_data.xlsx
Binary files differ