smiles stringlengths 6 131 |
|---|
CCC(C)(C)OCC(=O)N[C@H]1CN(C(=O)[C@H](C)CC(F)(F)F)C[C@@H]1SC |
CO[C@@H]1C[C@H](C(=O)NCCSCCCO)N(C(=O)c2ncncc2C)C1 |
CN(C)c1cccc(C(=O)N2CCN(C(=O)[C@@H]3C[C@]3(F)Cl)[C@H](CCO)C2)n1 |
Cn1cc(CNC[C@]23C[C@H](CO)[C@@H](CO2)C3)c2ncccc2c1=O |
CCCCn1cc(C(=O)NC2CCN(C(=O)C[C@@H]3CCCC[C@@H]3C)CC2)nn1 |
C#C[C@H](C)[C@H]1CCN(C(=O)NCc2sc(-c3ccncc3)nc2C)C1 |
C[C@@H](C(=O)N1CCC[C@@]12CCN(C(=O)c1c(Cl)nsc1Cl)C2)c1ccccc1Cl |
CC[C@H]1CN(C[C@H](C)CCC(=O)O)CCS1 |
CC1(C)[C@@H](NC(=O)CCCNC(=O)c2cccs2)CCN1C(=O)C=CCF |
Cc1nc(C(=O)N2C[C@H](C)[C@@H](CC(=O)N[C@H](C)c3cccs3)C2)cn1C |
CC(C)CCC(=O)C(=O)NCCC(=O)N1C[C@@H](C)CC1(C)C |
Cc1oc(C#N)cc1C(=O)N1CCC[C@@H]1CNC(=O)[C@H]1C[C@@H](OC(F)F)C1 |
Cc1cnc(NC[C@](C)(CO)c2ccccc2)c(S(=O)(=O)N(C)C2(CO)CC2)c1 |
COCC1(C(=O)N2CC[C@H]([C@@H]3CCN(C(=O)C(F)(F)C(F)(F)F)C3)C2)CCCC1 |
O=C(Cn1cc(C2CC2)cn1)N[C@H]1CCCC12CN(C(=O)c1csc(CO)n1)C2 |
CC(=O)NCC(=O)N[C@@H]1CC[C@H](NC(=O)CNC(=O)c2ccccn2)C1 |
CC(C)(NC(=O)C12CCC(CC1)N(C(=O)CCCCCC#N)C2)C(F)(F)F |
CCCCCC(=O)NCCOCCCNC(=O)c1cnn(CC(F)(F)F)c1 |
Cc1cc(Cl)cc([C@@H](NCC[C@@H](C)C(C)(C)C)c2nnnn2CCC2(C)CC2)c1 |
CCC[C@H](CC(=O)Nc1ccc(OC)nc1)NC(=O)c1c[nH]nc1C |
C=C(C)Cn1nnnc1[C@H](NC1CCC(C2CC2)CC1)c1csc(C(C)(C)C)c1 |
Cc1cc(=O)oc(C)c1C(=O)NC[C@@H]1CN(C(=O)C[C@]23CCC[C@H]2C3)CC1(C)C |
CC1(CC(=O)N[C@@](C)(CNC(=O)Cn2cncn2)Cn2cccn2)CC1 |
CC[C@](C)(C#N)C(=O)N[C@@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3[C@@H]2C(=O)N[C@H](C)c1c(C)n[nH]c1C |
CN1CCN(C(=O)[C@@H]2CN(C)C[C@@H]2C(F)(F)F)[C@H](CNC(=O)C2=CCOCC2)C1 |
C=C[C@@H](CCC)CC(=O)NCCOC1CN(C(=O)c2occc2CN(C)C)C1 |
COC1(CNC(=O)[C@]23CCC[C@H]2CCC3)CN(C(=O)C=C2CCCCC2)C1 |
COc1cc(C(=O)N2CC[C@@](CNC(=O)CCC3CC3)(OC)C2)ccc1Cl |
O=C(Cc1ccc(C(=O)O)c(F)c1)Nc1ccc(C2CC2)c(F)c1 |
CCC[C@H]1CCC[C@@H]1C(=O)N(CC)CC(=O)NCCC1CCC1 |
COCCn1cc(C(=O)NCCCCNC(=O)C(=O)N=c2cc(C)o[nH]2)cn1 |
O=C(Cc1ccc(O)cn1)N[C@@H]1CN(Cc2c(O)cccc2Cl)CCC1(F)F |
COC[C@H]1C[C@@H]1C(=O)N[C@H]1CC12CC(NC(=O)COc1ccccc1C(F)F)C2 |
CCOc1nc(C(=O)NC[C@@H](C(=O)N2CC3(CCC3)C[C@@H]2C)C(C)C)co1 |
Cc1cc(C(=O)NC[C@@H]2CCCN(C(=O)[C@H]3CCc4nc[nH]c4C3)C2)cnc1Cl |
COCC[C@]1(NC(=O)c2cc(F)c[nH]2)CCN(C(=O)Cn2cc(C3CC3)nn2)C1 |
CC1=CC=C(CCCC(=O)N(C)[C@H](C)CNC(=O)C(N)=O)S1 |
Cc1ccc(C(=O)N2CC([C@@H](O)C(=O)N3CC4(CCCC4)C[C@@H]3C)C2)cc1C |
C=CCN[C@H](c1cc2cccnc2o1)c1nnnn1[C@H](C)c1ccccc1 |
CC(C)N1CCC[C@H](CC(=O)NC[C@@H](O)CNC(=O)COc2ccc(F)cc2)C1 |
CC(=O)OC(C)(C)C(=O)N[C@H]1CC[C@H]1NC(=O)Cn1nnc(-c2ccco2)n1 |
C=C1C[C@H]1C(=O)NC[C@H]1CC[C@H](C(=O)N2CC3(CO[C@H](C)C3)C2)CC1 |
CCOC(C)(C)C(=O)NC[C@@H]1CN(C)CCN1C(=O)C1CC(S(C)(=O)=O)C1 |
CCOCCCCCC(=O)NC[C@@H]1CCCN1C(=O)C1(S(N)(=O)=O)CC1 |
C#C[C@@H](CNC(=NCCC(C)C)N1CC[C@@H](S(=O)(=O)NC(C)C)C1)CC(C)(C)C |
CC(C)n1nccc1C(=O)N1C[C@@H](CN(C)C(=O)C2(Br)CC2)C2(CC2)C1 |
Cc1cc(-c2noc(C[C@@H]3C[C@@H](C)O[C@@H]3C)n2)ccc1Br |
COCCC(=O)N[C@H]1CCCC[C@H]1C(=O)N(C)C[C@@H](O)COCc1ccccc1 |
CCc1ncccc1C(=O)NC[C@H]1C[C@@H](NC(=O)c2conc2CC)C12CCC2 |
C[S@@](=O)Cc1cccc(C(=O)N[C@@H]2CC23CCN(C(=O)C2=CCCSC2)CC3)c1 |
C[C@H](Cc1ccccn1)C(=O)NC[C@]1(C)CCCN1C(=O)c1cccn(C)c1=O |
CCc1nc(C)oc1C(=O)N1CC=C[C@@]1(COC)C(=O)N1CC2(CCC(=O)N2)C1 |
CC[C@](C)(CNC(=O)c1[nH]cnc1C)NC(=O)c1cn(C)c(=O)nc1O |
COC(=O)CN(CC(=O)OC(C)(C)C)C(=O)c1cccc(N2C(=O)CCC2=O)c1 |
COCCC[C@@H](NC(=O)[C@H]1CN(C)CCN1C)C(=O)N[C@@H](C(C)C)C1CCC1 |
CCOCCO[C@H](C)C(=O)NCCN(C(=O)[C@@H](CC)C(C)C)C1CCCCCC1 |
COc1cccc(C(=O)N2CC[C@H](NC(=O)COCCO)[C@H](CO)CC2)c1O |
COCCCn1cc(C(=O)NC[C@H]2C[C@H](NC(=O)c3cc(O)nc(O)c3)C2)cn1 |
COC[C@@H](CC(=O)NCc1nccc(C)n1)NC(=O)C1CCCCCC1 |
CCC=CC(=O)N1CC[C@H](C)[C@@H](NC(=O)C(F)(F)c2cnn(CC)c2)C1 |
CC(C)c1cccc(NC(=O)N2CCN(C(=O)c3ccc(Cl)o3)CC2)n1 |
CCC(CC)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H]2CNC(=O)c1csc(NC(C)=O)n1 |
CCS[C@H](C)C(=O)N[C@H](CNC(=O)[C@H](C)O[C@H]1CCOC1)C1CCC1 |
CN(C)CC[C@@H]1CCCN1C(=O)[C@H]1C[C@H]1CNC(=O)C1=CCCOC1 |
CN(C(=O)[C@H](CC1CCC1)NC(=O)c1ccc(C#N)[nH]1)[C@H]1CCC[C@@H]1C#N |
O=C1NCCN1C1CCCN(C2=NC(C(F)(F)F)=NC=C2)C1 |
C=C=C(C)CC(=O)N[C@@H]1CN(C(=O)CC[C@@H]2CC2(F)F)C[C@@H]1n1cccn1 |
CCOC(=O)NCCCC(=O)N1CC[C@H](NC(=O)c2coc(SC)c2)[C@H]1C |
CCC1(CN=c2cc(C)nc(N(C)C[C@@H](C)OC(C)(C)C)[nH]2)CCOCC1 |
CCOC(=O)c1cnccc1N1CC=C[C@H](NC(=O)[C@@H]2CCN(C(=O)CC)C2)C1 |
C[C@H]1CCOC[C@H]1C(=O)NCC1(CCNC(=O)C(F)=Cc2c[nH]cn2)CC1 |
CC1=C[C@H](C(=O)N2CC[C@@H](NC(=O)c3ccc(Cl)s3)CC(C)(C)C2)SC1 |
Cc1occc1C(=O)NC[C@]1(C(C)(C)C)CCN(C(=O)CS[C@H]2CCOC2=O)C1 |
COCc1cc(C(=O)NC[C@@]23C[C@@H](CCO2)N(C(=O)CCCN(C)C)C3)n[nH]1 |
CNC(=O)CNC(=O)[C@]12COC[C@H]1CN([C@@H]1CC(C)(C)OC1(C)C)C2 |
C=C1CC[C@@H]1C(=O)N1CC[C@H](C)[C@@H]1CNC(=O)c1conc1COC |
COc1ncccc1CC(=O)N1CCCCC[C@@H](NC(=O)C[C@@]2(O)CCOC2)C1 |
CCCC(=O)NCC[C@]1(O)CCN(C(=O)[C@@H]2C[C@H]2c2ccn(C)c2)C1 |
COc1cc(O)c(C(=O)N2CC[C@@]3(CNC(=O)C(C)(F)F)CCC[C@@H]23)cc1OC |
C[C@@](CNC(=O)c1nccc2occc12)(NC(=O)c1csc(C(N)=O)n1)C1CC1 |
C[C@H]1CC[C@H](CC(=O)N(CCCO)CCC(=O)N2CC3(CCC3)C[C@@H]2C)O1 |
CCN(Cc1ccoc1)C(=O)C[C@H]1C[C@H]1CNC(=O)CC[C@@H]1CC1(F)F |
FC(F)(Br)CN=c1[nH]c(=NC[C@]23CCCC[C@@H]2C3)[nH]c2cc[nH]c12 |
CCN(C(=O)C(C)C)[C@@H]1CCN(c2ccc([N+](=O)[O-])c(O)n2)C1 |
C=CCCCC(C)(C)C(=O)N1CC[C@@H](CCC(=O)N[C@@H](C)c2cnn[nH]2)C1 |
C=CC1(CN2CCC(c3cccc(C)c3)CC2)CCOCC1 |
C=CCCCC[C@@H](O)CNC(=O)c1[nH]cnc1-c1ccccc1 |
COc1ccc(-c2nc(Cn3cncn3)nn2CC(C)(C)C)cc1C(F)F |
CCSc1cc(Cl)ccc1C(=O)N1CCCN(C(=O)Cn2cnc(=N)[nH]2)[C@H](C)C1 |
CCCCCC[C@@H](C(=O)NCc1cccc(Br)c1)N1CCO[C@H](C(C)(C)C)CC1 |
CCc1ncc(C(=O)N2CC(O)(CNC(=O)[C@H]3CCc4ncnn4C3)C2)c(C)n1 |
Cc1scnc1CNc1nc(N(C)Cc2ncnn2C)nc2scnc12 |
CCC(CC)(CC)C(=O)NCc1cn(-c2cccnc2)nn1 |
CC(C)[C@@](F)(CNC(=O)c1ncccc1Cl)C(=O)NCCCCC(F)(F)F |
O=C(Cc1ccc(O)cc1)N1C[C@H]2CC[C@H]1CN2C(=O)C1(CO)COC1 |
CCCC[C@@H](O)C(=O)N1CCC(CCCNC(=O)[C@@]2(Cl)CC23CCC3)CC1 |
COCCCN(C)C(=O)N[C@H]1[C@H](c2ccccc2)C1(C)C |
Cc1nsc(CN(C)C(=O)CCCC2(NC(=O)c3ccc(C)n3C)CCC2)n1 |
Cc1cc(C(=O)N2CCC[C@H]2C2CCN(C(=O)c3csnc3Cl)CC2)c(O)nn1 |
Cc1ncc(C(=O)N2CCC=C(CNC(=O)/C=C/c3cnc[nH]3)C2)o1 |
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