SMILES large_stringlengths 2 3.43k | MoleculeCDetector bool 2
classes | ORIGIN large_stringclasses 3
values |
|---|---|---|
Cc1ccc(-c2nc(=NC(NC(=O)OCc3ccccc3)C(Cl)(Cl)Cl)sn2-c2ccccc2)cc1 | true | POSITIVE |
O=C(C=Cc1ccccc1)NC(NC(=O)Nc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl | true | POSITIVE |
CC(C)OC(=O)NC(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)C(Cl)(Cl)Cl | true | POSITIVE |
CCCCCC(=O)NC(NC(=S)Nc1ccc(OC)c([N+](=O)[O-])c1)C(Cl)(Cl)Cl | true | POSITIVE |
O=C(NC(n1cnc2c(Cl)ncnc21)C(Cl)(Cl)Cl)c1ccco1 | true | POSITIVE |
Cc1cc(OC(NC(=O)C(C)(C)C)C(Cl)(Cl)Cl)nc(C(C)C)n1 | true | POSITIVE |
CC(=O)c1ccc(OC(NC(=O)c2cccc(Cl)c2)C(Cl)(Cl)Cl)cc1 | true | POSITIVE |
O=C(Cc1ccccc1)NC(C(Cl)(Cl)Cl)P(=O)(O)O | true | POSITIVE |
CC(=O)Nc1cccc(OC(NC(=O)c2cccnc2)C(Cl)(Cl)Cl)c1 | true | POSITIVE |
CC(C)C(=O)NC(NC(C)(C)C)C(Cl)(Cl)Cl | true | POSITIVE |
COC(=O)c1ccc(NC(=S)NC(NC(=O)N2CCOCC2)C(Cl)(Cl)Cl)cc1 | true | POSITIVE |
CCN(CC)C(=O)NC(NC(=S)Nn1cnnc1)C(Cl)(Cl)Cl | true | POSITIVE |
Cc1cccc(NC(=S)NC(NC(=O)N2CCOCC2)C(Cl)(Cl)Cl)c1 | true | POSITIVE |
O=C(NC(NC(=S)Nc1cccc(Br)c1)C(Cl)(Cl)Cl)N1CCOCC1 | true | POSITIVE |
O=C(NC(NC(=S)Nc1cc(Cl)ccc1Cl)C(Cl)(Cl)Cl)N1CCOCC1 | true | POSITIVE |
O=C(NC(NC(=S)Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl)N1CCOCC1 | true | POSITIVE |
O=C(NC(NC(=S)Nc1cccc2ccccc12)C(Cl)(Cl)Cl)N1CCOCC1 | true | POSITIVE |
COc1ccc(NC(=S)NC(NC(=O)N2CCOCC2)C(Cl)(Cl)Cl)cc1 | true | POSITIVE |
CCN(CC)C(=O)NC(NC(=S)N1CCOCC1)C(Cl)(Cl)Cl | true | POSITIVE |
O=C(O)c1ccc(NC(=S)NC(NC(=O)N2CCOCC2)C(Cl)(Cl)Cl)cc1 | true | POSITIVE |
O=C(NC(NC(=S)Nc1ccccc1)C(Cl)(Cl)Cl)N1CCOCC1 | true | POSITIVE |
COc1ccc([N+](=O)[O-])cc1NC(=S)NC(NC(=O)N1CCOCC1)C(Cl)(Cl)Cl | true | POSITIVE |
COc1ccccc1NC(=S)NC(NC(=O)N1CCOCC1)C(Cl)(Cl)Cl | true | POSITIVE |
O=C(NC(NC(=S)N1CCOCC1)C(Cl)(Cl)Cl)N1CCOCC1 | true | POSITIVE |
Cc1ccc(NC(=S)NC(NC(=O)N2CCOCC2)C(Cl)(Cl)Cl)c(C)c1 | true | POSITIVE |
O=C(NC(NC(=S)Nc1ccccc1Cl)C(Cl)(Cl)Cl)N1CCOCC1 | true | POSITIVE |
O=C(NC(NC(=S)Nc1ccc(Br)cc1)C(Cl)(Cl)Cl)N1CCOCC1 | true | POSITIVE |
O=C(NC(Sc1nc2ccccc2s1)C(Cl)(Cl)Cl)c1ccccc1 | true | POSITIVE |
CCOC(=O)c1sc(NC(NC(C)=O)C(Cl)(Cl)Cl)c(C(=O)OC)c1C | true | POSITIVE |
CCN(CC)C(=O)NC(NC(=S)Nc1ccc(NC(C)=O)cc1)C(Cl)(Cl)Cl | true | POSITIVE |
CCN(CC)C(=O)NC(NC(=S)Nc1ccccc1C(=O)OC)C(Cl)(Cl)Cl | true | POSITIVE |
CCN(CC)C(=O)NC(NC(=S)Nc1cc(Cl)ccc1Cl)C(Cl)(Cl)Cl | true | POSITIVE |
O=C(NC(n1cncn1)C(Cl)(Cl)Cl)c1cccnc1 | true | POSITIVE |
CCN(CC)C(=O)NC(NC(=S)Nc1ccc(Br)cc1)C(Cl)(Cl)Cl | true | POSITIVE |
CCN(CC)C(=O)NC(NC(=S)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(Cl)(Cl)Cl | true | POSITIVE |
CCN(CC)C(=O)NC(NC(=S)Nc1ccc(OC)cc1[N+](=O)[O-])C(Cl)(Cl)Cl | true | POSITIVE |
CCN(CC)C(=O)NC(NC(=S)Nc1cc([N+](=O)[O-])ccc1OC)C(Cl)(Cl)Cl | true | POSITIVE |
CCN(CC)C(=O)NC(NC(=S)Nc1cccc(C(=O)O)c1)C(Cl)(Cl)Cl | true | POSITIVE |
CCN(CC)C(=O)NC(NC(=S)Nc1ccc(C(=O)OC)cc1)C(Cl)(Cl)Cl | true | POSITIVE |
CCN(CC)C(=O)NC(NC(=S)Nc1ccc(C(=O)O)cc1)C(Cl)(Cl)Cl | true | POSITIVE |
CCOC(=O)c1sc(NC(NC(=O)C(C)C)C(Cl)(Cl)Cl)c(C(=O)OC)c1C | true | POSITIVE |
O=C(NC(NC(=S)Nc1ncn[nH]1)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1 | true | POSITIVE |
CCCCCCC(=O)NC(Oc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl | true | POSITIVE |
O=C(NC(Nc1ccc(SC(F)F)cc1)C(Cl)(Cl)Cl)c1ccc(Cl)cc1 | true | POSITIVE |
CCOC(=O)c1c(NC(NC(=O)COc2ccccc2C)C(Cl)(Cl)Cl)sc(C)c1C | true | POSITIVE |
Cc1ccccc1OCC(=O)NC(Nc1sc2c(c1C(N)=O)CCCC2)C(Cl)(Cl)Cl | true | POSITIVE |
CCCC(=O)NC(n1c(SCc2ccccc2)nc2ccccc21)C(Cl)(Cl)Cl | true | POSITIVE |
COCCNC(NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)C(Cl)(Cl)Cl | true | POSITIVE |
CC(=O)NC(C(Cl)(Cl)Cl)P(=O)(O)O | true | POSITIVE |
CN1CCN(C(NC(=O)c2cccc([N+](=O)[O-])c2)C(Cl)(Cl)Cl)CC1 | true | POSITIVE |
NS(=O)(=O)c1ccc(NC(=S)NC(NC(=O)COc2ccccc2)C(Cl)(Cl)Cl)cc1 | true | POSITIVE |
CC1(C)C(C=C(Cl)Cl)C1C(=O)NC(Nc1ccccc1C(F)(F)F)C(Cl)(Cl)Cl | true | POSITIVE |
CC1(C)C(C=C(Cl)Cl)C1C(=O)NC(NC1CCCCC1)C(Cl)(Cl)Cl | true | POSITIVE |
O=C(CN1C(=O)c2ccccc2S1(=O)=O)NC(N1CCOCC1)C(Cl)(Cl)Cl | true | POSITIVE |
CC(C)C(=O)NC(Nc1ccc([N+](=O)[O-])cc1Br)C(Cl)(Cl)Cl | true | POSITIVE |
O=C(NC(Oc1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl)c1cccc(Cl)c1 | true | POSITIVE |
O=C(NC(Oc1ccc(C=NNc2ccccc2)cc1)C(Cl)(Cl)Cl)c1cccc2ccccc12 | true | POSITIVE |
CC(=O)NC(Oc1ccc(C=C2SC(=S)N(c3ccc(C)cc3)C2=O)cc1)C(Cl)(Cl)Cl | true | POSITIVE |
Cc1cccc(C(=O)NC(Oc2ccc(C=NNC(=O)c3ccccc3)cc2)C(Cl)(Cl)Cl)c1 | true | POSITIVE |
CCC(=O)NC(Oc1ccc(C=c2sc3nc4ccccc4n3c2=O)cc1)C(Cl)(Cl)Cl | true | POSITIVE |
CC(C)C(=O)NC(Oc1ccc(C=c2sc3nc4ccccc4n3c2=O)cc1)C(Cl)(Cl)Cl | true | POSITIVE |
COCCCN1C(=O)C(=Cc2ccc(OC(NC(C)=O)C(Cl)(Cl)Cl)cc2)SC1=S | true | POSITIVE |
CCCCCC(=O)NC(NC(=S)NNc1ccccc1O)C(Cl)(Cl)Cl | true | POSITIVE |
CC(=O)NC(Oc1ccc(C=c2sc3nc4ccccc4n3c2=O)cc1)C(Cl)(Cl)Cl | true | POSITIVE |
Cc1ccc(NC(NC(=O)OC2CC(C)CCC2C(C)C)C(Cl)(Cl)Cl)c(C)c1 | true | POSITIVE |
COc1ccc2nc(NC(NC(=O)OC3CC(C)CCC3C(C)C)C(Cl)(Cl)Cl)sc2c1 | true | POSITIVE |
CCN(CC)S(=O)(=O)c1cccc(NC(NC(=O)OCC2CCCO2)C(Cl)(Cl)Cl)c1 | true | POSITIVE |
CN1CCN(C(NC(=O)OCC2CCCO2)C(Cl)(Cl)Cl)CC1 | true | POSITIVE |
CC(C)(C)c1ccc(C=CC(=O)NC(O)C(Cl)(Cl)Cl)cc1 | true | POSITIVE |
O=C(NC(O)C(Cl)(Cl)Cl)C(F)(F)c1ccccc1 | true | POSITIVE |
CCOP(=O)(OCC)C(NC(=O)c1ccccc1F)C(Cl)(Cl)Cl | true | POSITIVE |
COP(=O)(OC)C(NC(=O)c1ccc(Cl)cc1)C(Cl)(Cl)Cl | true | POSITIVE |
CCOP(=O)(c1ccccc1)C(NC(=O)c1ccccc1C)C(Cl)(Cl)Cl | true | POSITIVE |
CCOP(=O)(OCC)C(NC(=O)C=Cc1ccccc1Cl)C(Cl)(Cl)Cl | true | POSITIVE |
CCOP(=O)(c1ccccc1)C(NC(=O)c1ccc(F)cc1)C(Cl)(Cl)Cl | true | POSITIVE |
O=C(CCl)NC(NC(=S)Nc1ccc2ccccc2c1)C(Cl)(Cl)Cl | true | POSITIVE |
O=C(NC(NCc1cccnc1)C(Cl)(Cl)Cl)c1ccccc1Br | true | POSITIVE |
O=C(NC(Nc1ccc(SC(F)F)cc1)C(Cl)(Cl)Cl)c1ccccc1Br | true | POSITIVE |
O=C(NC(Nc1cccnc1)C(Cl)(Cl)Cl)c1ccccc1Br | true | POSITIVE |
CN1CCN(C(NC(=O)c2ccccc2Br)C(Cl)(Cl)Cl)CC1 | true | POSITIVE |
O=C(NN=Cc1ccc(OC(NC(=O)c2ccco2)C(Cl)(Cl)Cl)cc1)c1ccncc1 | true | POSITIVE |
Cc1cccc(C(=O)NC(Oc2ccc(C=NNc3ccccc3)cc2)C(Cl)(Cl)Cl)c1 | true | POSITIVE |
CCN1C(=O)C(=Cc2ccc(OC(NC(=O)C(C)C)C(Cl)(Cl)Cl)cc2)SC1=S | true | POSITIVE |
CCC(=O)NC(Oc1ccc(C=C2SC(=S)N(CC)C2=O)cc1)C(Cl)(Cl)Cl | true | POSITIVE |
CCN1C(=O)C(=Cc2ccc(OC(NC(=O)c3ccccc3)C(Cl)(Cl)Cl)cc2)SC1=S | true | POSITIVE |
C=CCN1C(=O)C(=Cc2ccc(OC(NC(=O)CCC)C(Cl)(Cl)Cl)cc2)SC1=S | true | POSITIVE |
CCC(=O)NC(Oc1ccc(C=C2SC(=S)N(CCOC)C2=O)cc1)C(Cl)(Cl)Cl | true | POSITIVE |
CN1C(=O)C(=Cc2ccc(OC(NC(=O)c3ccco3)C(Cl)(Cl)Cl)cc2)SC1=S | true | POSITIVE |
CCCC(=O)NC(Oc1ccc(C=C2SC(=S)N(C)C2=O)cc1)C(Cl)(Cl)Cl | true | POSITIVE |
CCN1C(=O)C(=Cc2ccc(OC(NC(=O)CC(C)C)C(Cl)(Cl)Cl)cc2)SC1=S | true | POSITIVE |
Cc1cccc(C(=O)NC(Oc2ccc(C=O)cc2)C(Cl)(Cl)Cl)c1 | true | POSITIVE |
CCC(=O)NC(Oc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1)C(Cl)(Cl)Cl | true | POSITIVE |
CC(=O)NC(Oc1ccc(C=NNC(=O)c2ccccc2O)cc1)C(Cl)(Cl)Cl | true | POSITIVE |
CCCCCC(=O)NC(N(CC)CC)C(Cl)(Cl)Cl | true | POSITIVE |
Cc1ccc(SCC(=O)NC(Cl)C(Cl)(Cl)Cl)cc1 | true | POSITIVE |
COc1ccccc1C(=O)NC(Nc1ccccc1)C(Cl)(Cl)Cl | true | POSITIVE |
Cc1ccc(C(=O)NC(N(CC2CCCCC2)CC2CCCCC2)C(Cl)(Cl)Cl)cc1 | true | POSITIVE |
COC(=O)c1c(NC(NC(=O)c2ccc(C(C)(C)C)cc2)C(Cl)(Cl)Cl)sc2c1CCCC2 | true | POSITIVE |
COc1ccccc1C(=O)NC(Nc1ccccc1C)C(Cl)(Cl)Cl | true | POSITIVE |
COc1ccccc1C(=O)NC(Nc1ccc(C)cc1C)C(Cl)(Cl)Cl | true | POSITIVE |
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