text stringlengths 4 580 | label int64 0 1 |
|---|---|
Nc1ccc(C=Cc2ccc(N)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1 | 0 |
O=S(=O)(O)CCS(=O)(=O)O | 0 |
CCOP(=O)(Nc1cccc(Cl)c1)OCC | 0 |
O=C(O)c1ccccc1O | 0 |
O=[N+]([O-])c1ccc(SSc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1 | 0 |
O=[N+]([O-])c1ccccc1SSc1ccccc1[N+](=O)[O-] | 0 |
CC(C)(CCC(=O)O)CCC(=O)O | 0 |
O=C(O)Cc1ccc(SSc2ccc(CC(=O)O)cc2)cc1 | 1 |
O=C(O)c1ccccc1SSc1ccccc1C(=O)O | 0 |
CCCCCCCCCCCC(=O)Nc1ccc(SSc2ccc(NC(=O)CCCCCCCCCCC)cc2)cc1 | 0 |
Sc1cccc2c(S)cccc12 | 0 |
CCOP(N)(=O)c1ccccc1 | 0 |
NNP(=S)(NN)c1ccccc1 | 1 |
c1ccc2c(c1)Sc1ccccc1S2 | 0 |
CC(C)CCS(=O)(=O)O | 0 |
Cc1ccccc1NC(=N)Nc1ccccc1C | 0 |
CCCNP(=S)(NCCC)NCCC | 0 |
CCCCCCCCCCCCNP(=S)(NCCCCCCCCCCCC)NCCCCCCCCCCCC | 0 |
O=C1OC(=O)c2c1ccc1ccccc21 | 0 |
Clc1ccnc2c1ccc1c(Cl)ccnc12 | 0 |
c1ccc2nsnc2c1 | 0 |
S=C1NCCS1 | 0 |
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1 | 0 |
[N-]=[N+]=CC(=O)OCC(N)C(=O)O | 0 |
Nc1nc(O)c2nn[nH]c2n1 | 0 |
CS(=O)(=O)OCCCCOS(C)(=O)=O | 0 |
Nc1nc(S)c2nc[nH]c2n1 | 0 |
Sc1ncnc2[nH]cnc12 | 0 |
COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1C(NC(C)=O)CC2 | 0 |
CN(CCCl)CCCl | 0 |
CS(C)=O | 0 |
CCCCOB(OCCCC)OCCCC | 0 |
CCCCCOB(OCCCCC)OCCCCC | 0 |
Clc1ccc(Cl)c(SSc2cc(Cl)ccc2Cl)c1 | 0 |
CN(C)c1ccc(SSc2ccc(N(C)C)cc2)cc1 | 0 |
Brc1ccc(SSc2ccc(Br)cc2)cc1 | 0 |
Cc1ccc(SSc2ccc(C)cc2)cc1 | 0 |
COc1ccc(SSc2ccc(OC)cc2)cc1 | 0 |
NC1(C(=O)O)CCCC1 | 0 |
CC(C)(Br)C(=O)C(Br)Br | 0 |
CCOC(=S)SCCSC | 0 |
CCOCC(C)(CO)CC(C)CO | 0 |
O=C(O)C1CC1 | 0 |
O=C(O)C1(O)CC(O)C(O)C(O)C1 | 0 |
Nc1c(Cl)cc(Cl)cc1C(=O)O | 0 |
CCCCCOC(=S)S | 0 |
O=C(O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)O | 0 |
NC(=O)c1cc(O)c(O)c(O)c1 | 0 |
Nc1cc(Cl)c(S(=O)(=O)O)cc1Cl | 0 |
CC12CCC(C(Br)C1=O)C2(C)CS(=O)(=O)O | 0 |
CCC(C)(C(=O)O)C(=O)O | 0 |
CC(C)C(C(=O)O)C(=O)O | 0 |
CCOC(=O)C(=O)C1CCCCC1=O | 0 |
CCOC(=O)CNS(=O)(=O)c1ccccc1 | 0 |
CCN(CC)C(C)(O)CN | 0 |
Cc1cccc2c(=O)c3ccccc3oc12 | 0 |
CCCCCCCCCCCC(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCO | 0 |
C1CN[Co-4]23(N1)(NCCN2)NCCN3 | 0 |
CC(C)OC(=S)SSC(=S)OC(C)C | 0 |
OCC1OCOC2COCOC12 | 0 |
CC(=O)OC1C(OC(C)=O)C(OC(C)=O)C2(CO2)C(OC(C)=O)C1OC(C)=O | 0 |
CCN(CC)C(=O)N1CCN(C)CC1 | 0 |
Oc1ncnc2[nH]ncc12 | 0 |
O=Nc1ccc(O)c(N=O)c1O | 1 |
Oc1ccc(Nc2ccccc2)cc1 | 0 |
CCCCCCc1ccc(O)cc1O | 0 |
CCCCCCCC[N+]12CN3CN(CN(C3)C1)C2 | 0 |
CC(C)(O)O.CC1(O)C(O)C(O)C1(O)CO | 0 |
OC1COCOC1C(O)C1OCOCC1O | 0 |
CN(C)C(=S)SSC(=S)N(C)C | 0 |
O=[N+]([O-])c1ccc(C=Cc2ccc([N+](=O)[O-])cc2S(=O)(=O)O)c(S(=O)(=O)O)c1 | 0 |
N=c1[nH][nH]c(=N)[nH]1 | 0 |
O=S(=O)(O)CCO | 0 |
O=C1CSC(=S)N1 | 0 |
C1SCSCS1 | 0 |
CCC(CC)(C(=O)O)C(=O)O | 0 |
N#CC(=Cc1ccccc1)c1ccccc1 | 0 |
N#CNC(=N)N | 0 |
O=[N+]([O-])c1cc([As](=O)(O)O)ccc1O | 0 |
O=C(O)c1ccccc1S | 0 |
CCOC(=O)C(C(=O)OCC)C(C(=O)OCC)C(=O)OCC | 0 |
C=C(C)CS(=O)(=O)O | 0 |
CCSc1ccc(N=[N+]([O-])c2ccc(SCC)c(Cl)c2)cc1Cl | 0 |
O=C1C(=Cc2ccccc2)CCCC1=Cc1ccccc1 | 0 |
CCCCCCC(O)CCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC(O)CCCCCC)OC(=O)CCCCCCCCCCC(O)CCCCCC | 0 |
O=S(=O)(O)CO | 0 |
CCN(CC)CCCCCCNc1cc(OC)cc2c(C)ccnc12 | 0 |
CCCC(O)CNCc1ccc(N(C)C)cc1 | 0 |
CCSC(SCC)C(O)C(O)C(O)C(O)C(O)C(O)CO | 0 |
O=C(O)C(O)C(O)C(O)C(O)C(O)C(O)CO | 0 |
Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 | 0 |
ClP1(Cl)=NP(Cl)(Cl)=NP(Cl)(Cl)=N1 | 0 |
O=S(=O)(O)CCCCBr | 0 |
c1ccc(SSc2ccccc2)cc1 | 0 |
O=S(=O)(O)CC(S(=O)(=O)O)S(=O)(=O)O | 0 |
CCOC(=O)C(CCCCS(=O)(=O)O)C(=O)OCC | 0 |
O=S1(=O)CCc2ccccc2C(Br)C1 | 0 |
CCCCCCCCS(=O)(=O)O | 0 |
CCOCCCCS(=O)(=O)O | 0 |
CCOC(C)CCCS(=O)(=O)O | 0 |
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