smiles
stringlengths 19
81
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CNCC(C)CNCc1ccc(Br)s1 |
CCN(CC)C(=O)Nc1ncc(Br)s1 |
CCN(C)C(=O)NCc1ccc(Br)s1 |
CCN(C)C(=O)NCc1cc(Br)cs1 |
O=C(Nc1ncc(Br)s1)N1CCCC1 |
Brc1ccc(CNc2nccs2)nc1 |
O=C(c1cnc(Br)s1)N1CCOCC1 |
O=C(c1cnc(Br)s1)N1CCCCC1 |
C=C(Br)CN1CCSCC1CC(=O)O |
O=c1ccc(Br)cn1Cc1cccs1 |
O=c1ccc(Br)cn1Cc1ccsc1 |
O=c1ccc(Br)cn1Cc1cscn1 |
CS(=O)(=O)CCSc1ncncc1Br |
Brc1cncnc1SC1CCOCC1 |
Cc1nnc(Sc2ncncc2Br)s1 |
CCOC(=O)CSc1ncncc1Br |
Cn1nnnc1Sc1ncncc1Br |
Cn1ccnc1Sc1ncncc1Br |
CC1CSCCN1c1ncncc1Br |
O=c1c(Br)cncn1Cc1cccs1 |
Brc1cncnc1NCc1cscn1 |
O=c1c(Br)cncn1Cc1ccsc1 |
O=c1c(Br)cncn1CCC(F)(F)F |
CC(CSc1ncncc1Br)C(=O)O |
Brc1cncnc1NCc1nccs1 |
CS(=O)(=O)CCNc1ncncc1Br |
NS(=O)(=O)CCNc1ncncc1Br |
Brc1cncnc1NCc1cccs1 |
CS(=O)(=O)CCn1cncc(Br)c1=O |
O=c1c(Br)cncn1Cc1cscn1 |
COC(=O)CCSc1ncncc1Br |
O=S1CCN(c2ncncc2Br)CC1 |
Brc1cncnc1N1CCCSCC1 |
Brc1cncnc1NCc1ccsc1 |
FC(F)(F)CCNc1ncncc1Br |
CN(c1ncncc1Br)C1CCSC1 |
C[C@H](CO)NS(=O)(=O)c1sccc1Br |
C[C@H](CO)NS(=O)(=O)c1ccc(Br)s1 |
Brc1ccccc1CSCC1CNC1 |
Brc1cccc(CSCC2CNC2)c1 |
Brc1ccc(CSCC2CNC2)cc1 |
O=C(c1sccc1Br)N1CC[C@@H](O)C1 |
O=C(c1csc(Br)c1)N1CC[C@H](O)C1 |
O=C(c1ccc(Br)s1)N1CC[C@H](O)C1 |
O=C(c1sccc1Br)N1CC[C@H](O)C1 |
O=C(c1csc(Br)c1)N1CC[C@@H](O)C1 |
O=C(c1ccc(Br)s1)N1CC[C@@H](O)C1 |
OC[C@H]1CCCN1Cc1cc(Br)cs1 |
OC[C@@H]1CCCN1Cc1sccc1Br |
OC[C@@H]1CCCN1Cc1ccc(Br)s1 |
OC[C@@H]1CCCN1Cc1csc(Br)c1 |
OC[C@H]1CCCN1Cc1sccc1Br |
OC[C@H]1CCCN1Cc1ccc(Br)s1 |
OC[C@H]1CCCN1Cc1csc(Br)c1 |
OC[C@@H]1CCCN1Cc1cc(Br)cs1 |
CC(NCC(O)CO)c1ccc(Br)s1 |
Brc1cccc(SCc2nnn[nH]2)c1 |
CC(O)(CO)CNCc1sccc1Br |
CCN(Cc1sccc1Br)C1CNC1 |
CCN(Cc1csc(Br)c1)C1CNC1 |
CCN(Cc1ccc(Br)s1)C1CNC1 |
CC(O)(CO)CNCc1csc(Br)c1 |
CCN(Cc1cc(Br)cs1)C1CNC1 |
CC(O)(CO)CNCc1cc(Br)cs1 |
CC(O)(CO)CNCc1ccc(Br)s1 |
Brc1ccccc1SCc1nnn[nH]1 |
CN(CCN)Cc1cc(Cl)ccc1Br |
O=C(O)CNCc1cc(Cl)ccc1Br |
Brc1ccc(SCc2nnn[nH]2)cc1 |
Brc1ccc(CNCc2cnco2)s1 |
Brc1csc(CNCc2cnco2)c1 |
CC(NC1CC(O)C1)c1sccc1Br |
CC(NC1CC(O)C1)c1ccc(Br)s1 |
O=C(c1csc(Br)c1)N1CC(CO)C1 |
O=C(c1ccc(Br)s1)N1CC(CO)C1 |
O=C(c1sccc1Br)N1CC(CO)C1 |
O=C(NC1CC(O)C1)c1ccc(Br)s1 |
OC1CC(CNCc2csc(Br)c2)C1 |
O=C(NC1CC(O)C1)c1csc(Br)c1 |
O=C(NC1CC(O)C1)c1sccc1Br |
OC1CC(CNCc2ccc(Br)s2)C1 |
CC(CCO)CNCc1ccc(Br)s1 |
CC(CCO)CNCc1sccc1Br |
CC(CCO)CNCc1csc(Br)c1 |
CC(CCO)CNCc1cc(Br)cs1 |
OC1CC(CNCc2cc(Br)cs2)C1 |
OC1CC(CNCc2sccc2Br)C1 |
Clc1cc(Br)cnc1N1CCOCC1 |
O=S(=O)(c1ccccc1Br)N1CCC1 |
COC(=O)c1cc(Cl)c(OC)c(Br)c1 |
CCNS(=O)(=O)Cc1ccc(Br)cc1 |
CNS(=O)(=O)c1cc(Br)c(F)cc1C |
COC(=O)c1cc2c(Br)cncc2s1 |
COC(=O)CCC(=O)c1ccc(Br)s1 |
Cc1ccc(S(=O)(=O)N(C)C)cc1Br |
CN(C)S(=O)(=O)c1ccc(Br)c(F)c1 |
CNS(=O)(=O)c1c(F)cc(Br)cc1F |
CN(C)S(=O)(=O)Cc1cccc(Br)c1 |
Brc1nc(Br)n(CCC2OCCO2)n1 |
Clc1ccc(OCC2CNC2)c(Br)c1 |