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smiles
stringlengths 18
54
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|---|
COC(=O)c1[nH]c(CN2CCC(CC(F)F)CC2)cc1C |
CCC(CNC(=O)Nc1cnc(C)c(Cl)c1C)OC |
Cn1cc(C(=O)NCC(c2ccccc2)C(F)F)nn1 |
O=C(CCn1ccnn1)N1CC(O)(c2ccsc2)C1 |
COc1ccc(CNC(=O)c2cn(C)cn2)nc1C(F)F |
O=C(c1nccc(C(F)(F)F)n1)N1CCCC1CC1CC1 |
O=C(c1cc(Cl)ns1)N1CCCC2(COCCO2)C1 |
COC1(CC(=O)NC2(CCC(=O)O)CCOC2)CCCC1 |
O=C(Cc1ccn(C(F)F)n1)NC1(C(F)F)CCC1 |
CN(C(=O)C1CC2(CCNC2)C1)C12CCCC(CNC1)C2 |
CC1CC(CNC(=O)c2cccnc2-n2ccnc2)=NO1 |
COC(=O)c1cc(CN(C)C2CCCC2C#N)c(C)s1 |
Cc1cnccc1NC(=O)c1noc2c1CCCCC2 |
CCNc1nc(C)cc(N2CCCC(S(=O)(=O)NC)C2)n1 |
COc1c(C)ccc(NC(=O)C2(OC)CCCNC2)c1C |
COCCC1(C(=O)NCC(F)(F)C(C)(C)O)CCCC1 |
COCC1CCOCCN1C(=O)C(OCC(C)C)C(C)C |
CC1(C)OCC(C(O)C(=O)N2CCCC3(CCCO3)C2)O1 |
COc1cccc(C(C)NC(=O)NC2CN(C)CC2O)c1 |
CC1CN(Cc2ccc3c(c2)CCO3)CCN1CC(F)F |
O=C(CC1CCC(F)(F)C1)NC1CCCC1N1CCCC1 |
CC(C)C(C(=O)N1CNC(=O)C1)S(=O)(=O)C1CCCCC1 |
COC(=O)C(NS(=O)(=O)CC12CCC(C)(C1)OC2)C(C)C |
O=C(NC1CC(c2ccon2)C1)C1NCCC12CC2(F)F |
CC(C)CC(C)CNC(=O)C(O)CC(=O)OC(C)(C)C |
COC(=O)C1CN(C(=O)c2s[nH]c(=O)c2Cl)C(C)(C)CO1 |
COC(=O)C1(CNC(=O)C2CCC3C2C3(F)F)COC1 |
O=C1CCN(C(=O)CNC(=O)c2cccs2)CCN1 |
O=C(N1CCC2(CC(O)C2)C1)C12CCCC1C2(F)F |
CC(C)(C)C(NC(=O)C(N)CC(F)(F)F)C(=O)O |
O=C(CC1CCCC1O)Nc1ccc2n[nH]c(=O)n2c1 |
COC(=O)C(C)(CCF)NS(=O)(=O)CC1CCOCC1 |
Cc1ncsc1C(=O)N1CCN2C3CCC(C3)C2C1 |
Cc1nc(S(=O)(=O)NC2CCOC(C)C2)cs1 |
CCn1nccc1CNC(=O)N1CC[S+]([O-])C2(CCC2)C1 |
Cn1c(O)cc2cc(NC(=O)N3CCC(O)C3)ccc21 |
Cc1cc(CC(=O)N=S2(=O)CCC3(CCCN3)C2)on1 |
CCC1CN(C(=O)C2(C)CCC3(CC2)OCCO3)CCO1 |
CN(C)C1(CNS(=O)(=O)CC2CCCC2(F)F)CC1 |
O=C(c1cc(Cl)c(Br)[nH]1)N1CCc2ncncc2C1 |
CC(C)CCNc1nc(C(F)(F)F)nc2[nH]cnc12 |
CN(CCNC(=O)COc1ccccc1F)CC(F)F |
O=C(C1NCCC1(F)F)N1CCCCC2(CNC2)C1 |
CC(C)(CNc1ncc2c(n1)CCC2)C1CCNCC1 |
CC(CS(C)(=O)=O)NC(=O)C1CNCC1C1CCOCC1 |
CCn1cc(C(=O)N2CCCN(CC3CCC3)CC2)cn1 |
COCC1(C2CC2)CN(C(=O)NCCc2cnc(C)s2)C1 |
CC(CF)NC(=O)NC1CCN(c2ccccc2Cl)C1 |
CCOC(=O)c1snnc1CN1CCC(C(C)(C)F)C1 |
Cc1noc(C)c1S(=O)(=O)N(C)c1c(F)cccc1F |
CCc1nc(N)ncc1C(=O)N1CCC(S(C)(=O)=O)C1 |
CC(C)(C)c1cccc(S(=O)(=O)N2CC3CCNC3C2)c1 |
CC(=O)Nc1cccnc1NC(=O)c1cc(C)ncn1 |
CCc1cccc(S(=O)(=O)NCc2cn(C(C)C)nn2)c1 |
O=C(NCc1cccc(Br)c1)C1NCCc2occc21 |
O=C(Nc1nccn1CC(F)F)N1CC2OCC1C2O |
COC(=O)CC1CCN(C2CS(=O)(=O)C2)CC1C1CC1 |
CC1CNCC(NCc2cccc(C(=O)N(C)C)c2)C1 |
CC(CNC(=O)c1coc2c1CSC2)[S+](C)[O-] |
CN(C)c1ccc(CNC(=O)CC2CNCC2O)nc1 |
CC(NC1COC(C)(C)OCC1O)c1ncc(Br)cn1 |
CC1COCCN1C(=O)CC1CCCS(=O)(=O)C1 |
CN(CC(=O)Nc1ccccc1)Cc1cn(C)nc1Cl |
CN(CCNc1ncnc2c1CCO2)Cc1ccccc1 |
OC1C(NCc2csc(-c3cccs3)n2)COC12CCC2 |
COc1cnc(CNC(=O)Cn2c(C)c(C)sc2=O)nc1 |
Cc1ccnc2c(C(=O)NC(C)(C)C(N)=O)cccc12 |
COc1cc(CCC(=O)N2CCCC(NC(C)=O)C2)on1 |
CS(=O)(=O)c1ccc(-c2ccc(=O)n(CC3CC3)c2)cc1 |
COCC(CC(=O)O)NCc1[nH]c(C)nc1Br |
CC1=C(CNS(=O)(=O)c2c(C)cccc2C#N)SCCO1 |
Cc1c(C(=O)N2CCN3CCCCC2C3)ccc(F)c1F |
CCc1nc(CNC(=O)c2cc(C3CNC3)no2)cs1 |
Cc1ccnc(CN2CCOC(c3nncn3C)C2)n1 |
CNC(=O)C1(F)CCN(CC(=O)N2CCS(=O)(=O)CC2)C1 |
Cc1c(C(=O)Nc2c[nH]nc2C(F)F)noc1C1CC1 |
CC1(NC(=O)Nc2c(F)cc(F)cc2F)CCNC1 |
Cc1cc(S(=O)(=O)NC2CCNC(C)(C)C2)ccc1C#N |
CCC(C)N(C)CCNC(=O)N1CCCC12CCNCC2 |
O=C(CNC1CC1)NCc1nc(-c2ccc(Cl)cc2)no1 |
Cc1nocc1NC(=O)N1CCNC(=O)C1c1cccs1 |
O=C(Cc1cccc(Br)c1)NCC(=O)C1CC1 |
CN1CC(CSCC2(O)CCN(C(=O)OC(C)(C)C)C2)C1 |
CCCN(CC(=O)OC)CC(=O)c1ccc(Cl)o1 |
CCCC(C)(C)C(=O)NCc1nc(C(=O)OCC)nn1C |
Cn1nncc1CN(Cc1ccoc1)CC1CCCCC1 |
CC1SCCN(C(=O)c2cccc(-n3ccnn3)c2)C1C |
CC(C)(C)CN(CCO)C(=O)Nc1ncc(Br)s1 |
CN(C)c1cc(CNC(=O)NCCC2(C)CC2)ccn1 |
O=C(NCc1cccc(O)c1)NCc1ccc(F)cc1F |
CCCN(CCC)S(=O)(=O)NCC(O)CC(C)(C)C |
Cc1nc(C)c(C(C)NC(=O)c2[nH]nc(C)c2O)s1 |
Cn1cnc2c1CCCC2C(=O)N1CCC(F)(F)C(F)C1 |
CC(C)C(NC(=O)Cn1ccc(=O)n(C)c1=O)C(N)=O |
Cn1nc(CC2CC2)cc1NC(=O)CCCn1cccn1 |
CCC1(C(=O)O)CCCN1C(=O)c1cncnc1C1CC1 |
CCC(C)c1ccc(C(=O)Nc2nccn2CC)c(=O)[nH]1 |
CC(C)NC(=O)c1cccc(CNC(=O)c2cn[nH]c2)c1 |
CCN1CCCCC1CNCc1nccn1C(C)(C)C |
COC(=O)C(C)(NC(=O)COC1CCCOC1)C1CCC1 |
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