smiles
stringlengths 19
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CN(C)S(=O)(=O)c1ccc(Br)c(Cl)c1 |
O=C(Cc1cc(Br)cs1)N1CC(F)C1 |
N[C@@H]1CCCN(Cc2cc(Br)cs2)C1 |
COC(=O)c1ccc2nc(Br)sc2c1 |
CNS(=O)(=O)c1cc(C)c(Br)cc1F |
N[C@H]1CCCN(Cc2ccc(Br)s2)C1 |
N[C@H]1CCCN(Cc2cc(Br)cs2)C1 |
O=S(=O)(CCO)Cc1ccc(Br)cc1 |
CS(=O)(=O)c1cc(S(N)(=O)=O)c(Cl)s1 |
CN(Cc1cncc(Br)c1)S(C)(=O)=O |
O[C@H]1CCCN(Cc2ccc(Br)s2)C1 |
CCOC(=O)c1ncn2cc(Br)sc12 |
CC(C)(C)C(=O)Cn1nc(Br)nc1Br |
O[C@@H]1CCCN(Cc2ccc(Br)s2)C1 |
COC(=O)c1cc(Cl)c(Br)cc1OC |
CCOC(=O)c1cn2cc(Br)sc2n1 |
N[C@@H]1CCCN(Cc2ccc(Br)s2)C1 |
O[C@H]1CCCN(Cc2cc(Br)cs2)C1 |
O=S(=O)(c1ccc(Br)cc1)N1CCC1 |
COC(=O)c1nsc2cc(Br)ccc12 |
CN(C)S(=O)(=O)Cc1ccccc1Br |
CNS(=O)(=O)Cc1ccc(Br)cc1F |
O=S(=O)(CC1CC1)c1cccc(Br)c1 |
CNC(=O)CCC(=O)c1ccc(Br)s1 |
O[C@@H]1CCCN(Cc2cc(Br)cs2)C1 |
Brc1nc(Br)n(Cc2ccccc2)n1 |
Cc1cc(Br)cc(S(=O)(=O)N(C)C)c1 |
Clc1cnc(N2CCOCC2)c(Br)c1 |
CCNS(=O)(=O)c1ccc(C)c(Br)c1 |
COC(=O)c1cc(Br)c(Cl)cc1OC |
CN(C)S(=O)(=O)Cc1ccc(Br)cc1 |
CCC(=O)NCC(=O)c1ccc(Br)s1 |
CCOC(=O)c1nc(C2CC2)sc1Br |
CCS(=O)(=O)NCc1cncc(Br)c1 |
Clc1cc(Br)ccc1OCC1CNC1 |
NS(=O)(=O)c1cc(Br)cc2c1OCC2 |
Clc1cc(CNC2COC2)ccc1Br |
Clc1ccc(Br)cc1CNC1COC1 |
O=C(O)CNCc1cc(Br)ccc1Cl |
CC(O)CNCc1ccc(Br)c(Cl)c1 |
CN(CCN)Cc1ccc(Br)c(Br)c1 |
OCCN(c1nc(Br)cs1)C1CCC1 |
CC(CO)N(C)c1ncnc(Cl)c1Br |
CC1CCN(c2ncnc(Cl)c2Br)C1 |
CN(CC1CC1)c1ncnc(Cl)c1Br |
CC1CCCN1c1ncnc(Cl)c1Br |
CCN(CCO)c1ncnc(Cl)c1Br |
CSCCN(C)c1ncnc(Cl)c1Br |
CC(CCO)Nc1ncnc(Cl)c1Br |
CN(CC(N)=O)c1ncnc(Cl)c1Br |
NC(=O)CCNc1ncnc(Cl)c1Br |
CC(Nc1ncnc(Cl)c1Br)C(N)=O |
CC(C)(CO)Nc1ncnc(Cl)c1Br |
CCC(CO)Nc1ncnc(Cl)c1Br |
CS(=O)CCNc1ncnc(N)c1Br |
CSCC(C)Nc1ncnc(N)c1Br |
Clc1ncnc(NC2CCOC2)c1Br |
COC(=O)CNc1ncnc(Cl)c1Br |
FC(F)(F)CNc1ncnc(Cl)c1Br |
COCC(C)Nc1ncnc(Cl)c1Br |
CN(C)CCNc1ncnc(Cl)c1Br |
OCC(O)CNc1ncnc(Cl)c1Br |
OC1CC(Nc2ncnc(Cl)c2Br)C1 |
Clc1ncnc(N2CCSCC2)c1Br |
Clc1ncnc(N2CCOCC2)c1Br |
OCC(CO)Nc1ncnc(Cl)c1Br |
CC(C)(O)CNc1ncnc(Cl)c1Br |
CC(CO)CNc1ncnc(Cl)c1Br |
CC(O)CCNc1ncnc(Cl)c1Br |
CN(CCC#N)c1ncnc(Cl)c1Br |
CSCCN(C)c1ncnc(N)c1Br |
CC(O)C(C)Sc1ncnc(Cl)c1Br |
CN(C)CCSc1ncnc(Cl)c1Br |
OCC(O)CSc1ncnc(Cl)c1Br |
CC(CCO)Sc1ncnc(Cl)c1Br |
Clc1ncnc(N2CCCCC2)c1Br |
Nc1ncnc(NC2CCSC2)c1Br |
Nc1ncnc(N2CCSCC2)c1Br |
COC(=O)CSc1ncnc(Cl)c1Br |
OC1CCN(c2ncnc(Cl)c2Br)C1 |
CC(O)CN(C)c1ncnc(Cl)c1Br |
Clc1ncnc(NC2CCSC2)c1Br |
COC(C)CNc1ncnc(Cl)c1Br |
CN(c1ncnc(Cl)c1Br)C1CCC1 |
OCC1(Nc2ncnc(Cl)c2Br)CC1 |
CN(CC(F)F)c1ncnc(Cl)c1Br |
CCC(O)CNc1ncnc(Cl)c1Br |
CS(=O)CCNc1ncnc(Cl)c1Br |
CC1CC1CNc1ncnc(Cl)c1Br |
COCCN(C)c1ncnc(Cl)c1Br |
CN(C)CC(=O)NCc1sccc1Br |
CN(C)CC(=O)NCc1ccc(Br)s1 |
CN(C)CC(=O)NCc1cc(Br)cs1 |
C=C(Br)CNc1nc(Cl)nc(C)c1N |
NCCNC(=O)c1cc(Cl)ccc1Br |
O=C(NCCO)c1cc(Cl)ccc1Br |
O=C(NC1CC1)c1cc(Cl)ccc1Br |
Cc1coc(Sc2ncc(Br)cn2)n1 |
Brc1cnc(SCC2CCCO2)nc1 |
Brc1cnc(NCC2CCSC2)nc1 |