smiles stringlengths 6 131 |
|---|
CC(C)(CC(=O)N1CC[C@@H](F)[C@@H](NC(=O)C(C)(C)n2cccn2)C1)CC(F)(F)F |
N#Cc1cc(CN2CC3(CC3)C[C@H]2C(=O)N2CC[C@H](C#N)C2)ccc1Cl |
COc1cnc(F)cc1C(=O)N(C)CCCCN(C)C(=O)C[C@H]1CC[C@@H](O)C1 |
Cc1cc(C(=O)NC[C@H]2OCC[C@H]2C(=O)N2CC(N=[N+]=[N-])C2)ccn1 |
CCc1cc(C(=O)N[C@H]2CCO[C@H]2C(=O)N[C@H]2CN(CC)C[C@@H]2C)nn1C |
COc1cc(C(=O)NC[C@H]2CC3(CC3)CN2C(=O)c2cc(C)n(C)c2)ccc1C |
CO[C@H](CC1CCC1)C(=O)N[C@@H](CCSC)C(=O)NCC[C@H]1CC=CCC1 |
O=C(N1CCC(c2cccc(Br)c2)CC1)[C@]1(O)CCCNCC1 |
CC[C@@H](C)[C@H](C)C(=O)NCCOCCCNC(=O)C(F)(F)c1ccc(OC)nc1 |
O=C(NCC[C@@H]1CCCN(C(=O)Cc2cnoc2)CC1)[C@H]1CCc2nccn2C1 |
O=C(N[C@@H]1CN(C(=O)/C=C/c2ccccc2)C[C@@H]2CCC[C@H]12)c1c[nH]ccc1=O |
CC(=O)c1cccc(O[C@H](C)C(=O)N[C@H](C)CNC(=O)C2=CCCCCC2)c1 |
CSC1(C(=O)NCC2(C)CC(NC(=O)[C@H]3CS(=O)(=O)CC(=O)N3)C2)CC1 |
CC(C(=O)N1CC[C@H](C)[C@H]1CNC(=O)c1ccc2c(n1)OCC(=O)N2)=C1CC1 |
Cc1ccc2cc(C(=O)N3CC(F)(F)C[C@@]3(C)CNC(=O)C34CC3C4)cnc2c1 |
C=C1CC2(C1)CC(C(=O)N[C@H](CO)CNC(=O)c1cc(-c3ccoc3)[nH]n1)C2 |
COc1cccc2[nH]nc(C(=O)N(C)CCN(C)C(=O)[C@@H]3CCC[C@@H](C)C3)c12 |
CCc1ncoc1C(=O)N1CCc2c(CNC(=O)[C@H]3CCCCS3)cccc2C1 |
CCN1CCC[C@@H]1C(=O)N1CC[C@@H](C2CC2)[C@@H]1C(=O)N(C)C[C@@H]1COC(=O)N1 |
CC(C)(C)[C@H](CNC(=O)CCCC(F)(F)F)NC(=O)CCCCc1ccccc1 |
CCc1cc(N)ccc1C(=O)N1CCC(O)(C2(NC(=O)[C@H]3C[C@H]3C)CC2)CC1 |
CSc1cccc(C(=O)N2[C@H](CNC(=O)c3cc[nH]n3)C[C@@H]3CCC[C@@H]32)c1Cl |
CSCCCCCC(=O)N[C@]12CCC[C@H]1CN(C(=O)[C@@H](C)c1cccc(Cl)c1)C2 |
CCc1c(C)cccc1C(=O)N1CC[C@@H]1CNC(=O)c1cc(OC)ccc1N |
CCCCCC[C@@H](F)C(=O)N1CCC2(CC1)CO[C@@H](CNC(=O)C1(CO)CC1)C2 |
O=C(CN1CCCNC1=O)NC1(CCNC(=O)[C@@](F)(Cl)c2ccccc2)CC1 |
COc1cc(Cl)cc(C(=O)N2CCC[C@H](N(C)C(=O)c3nc(C)nn3C)C2)c1 |
NS(=O)(=O)CCCc1cn(-c2ccc(C(=O)N3C[C@H]4C[C@@H](CO)[C@H]4C3)cc2)nn1 |
O=C(C[C@@H]1CCCC2(CC2)C1)N[C@H]1[C@@H]2CN(C(=O)CCC3CC(F)(F)C3)C[C@@H]21 |
CC=C(C)C(=O)NC(C)(C)[C@@H](C)NC(=O)c1cccc2nc(C(C)C)[nH]c12 |
CCN(C)C(=O)[C@H]1CCC[C@@H]1CNC(=O)COCCCOC |
CC1(C)OC(=O)N[C@H]1C(=O)N1C[C@H](CNC(=O)c2cc(Cl)n[nH]2)C(F)(F)C1 |
CC(C)C[C@@](C)(CNC(=O)c1cnoc1-c1cnn(C)c1)NC(=O)[C@H](C)C1CC1 |
CCCC1(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3CNC(=O)[C@H]2CC[C@H](N(C)C)CC2)CC1 |
CCC(=O)N[C@H](C)C(=O)NCc1nocc1C(=O)NCc1cnn(CCF)c1 |
CCCN1CCC(NC(=O)[C@H](C)CNC(=O)C2(O)CCSCC2)CC1 |
Cc1cccc(C(=O)N[C@@]23CCC[C@H]2N(C(=O)Cc2nccs2)CC3)c1C |
C[C@H](CC(N)=O)C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2CN(C3CCCCC3)C2)C1 |
CC1(NC(=O)[C@@H]2CCN(c3cccc(F)c3)C2=O)CN(C(=O)c2ccsc2)C1 |
CO[C@H](F)C(=O)NCCC1(O)CN(C(=O)CSCCN(C)C)C1 |
CO[C@@H]1CN(C(=O)[C@@H]2CCC(=O)C2)C[C@H]1NC(=O)c1cccc(C2CC2)c1C |
CC(=O)NCC(=O)N1CCN(C(=O)c2nc(C)ccc2C)[C@H](C(C)C)C1 |
CCS[C@@H](C)C(=O)Nc1cnn(C)c1-c1cn(CCN(CC)CC)nn1 |
C=C(F)C1(CC(=O)N2CCC[C@H]([C@H]3CCCN3C(=O)/C=C/C(F)F)C2)CCC1 |
CC(C)[C@@H](O)C(=O)NCCCC(=O)N1CCC[C@H]1CCCO |
Cc1nc(CC(=O)N2CC[C@H](CCNC(=O)[C@]3(C)C[C@@H](C#N)C3)C[C@@H]2C)cs1 |
Cc1occc1C(=O)N1C[C@H]2[C@H](NC(=O)c3cc4c(Cl)ccnc4s3)[C@H]2C1 |
O=C(CC1CCSCC1)N1CCN(C(=O)c2ccc3c(c2)OCC3)[C@@H](C(F)F)C1 |
CNC(=O)CCCC(=O)N1C[C@@H](Nc2nccc(C#N)n2)C(C)(C)C1 |
C#CCC1(NC(=O)CCN(CC)C(=O)C[C@@H]2CCOC2)CCC1 |
CC=C(CC)C(=O)N1CCN(c2ncnc3onc(C)c23)CC1 |
C=C=C[C@@H](C)C(=O)NCc1cc[nH]c1C(=O)NC[C@H]1CCCC12CCC2 |
CC(=O)N[C@@H](C(=O)N(CCNC(=O)[C@@H](O)c1ccsc1)C1CC1)C(C)(C)C |
COCC1(CNC(=O)C(C)=Cc2ccncc2)CN(C(=O)C[C@H]2OCC[C@@H]2C)C1 |
C[C@H](NC(=O)C[C@H](NC(=O)[C@]12CSC[C@@H]1C2)C(F)(F)F)c1ncccn1 |
CN(C)C(=O)C#CC(=O)N1CCN(C)[C@@H](CNC(=O)c2cncc(Cl)c2Cl)C1 |
CCN(CCNC(=O)c1cc(C(C)=O)oc1C)C(=O)[C@H](C)[C@H](C)C(C)(C)C |
C[C@@H]1Oc2c(cccc2C(=O)N[C@@H]2CCCN(C(=O)C=CC3CC3)[C@@H]2C)NC1=O |
C#CC[C@@]1(C(=O)N[C@@]2(C)CCCC2(C)C)CCN(C(=O)[C@@H]2CC=CC[C@H]2C)C1 |
CC[C@@H](C)CC(=O)N1CC[C@@](CO)(C(=O)NCCCCC(N)=O)C1 |
CC[C@@H](SC)C(=O)N1CC=C[C@H]1C(=O)NCCc1nccnc1C |
Cc1nc(CC(=O)NCc2cccc(C(=O)NC3C[C@H]4CCC[C@H](C3)C4)n2)co1 |
[N-]=[N+]=N[C@H]1CC[C@H](C(=O)N[C@@H]2CCC[C@H](NC(=O)c3coc4c3CSC4)C2)CC1 |
C/C=C/CCCCC(=O)NC1(CCNC(=O)Cn2nc(C(F)F)cc2C)CC1 |
C=CC[C@H](CC(C)C)C(=O)NC1C[C@@H]2CN(C(=O)Cn3ccccc3=O)C[C@H]2C1 |
CCOC(=O)NCC(=O)N[C@@H]1CCN(C(=O)C(F)(F)[C@H](O)CC)C[C@H]1CO |
COc1cc(CN[C@H]2C[C@H]2C(=O)N2CCNc3ccc(Cl)cc3C2)cc(OC)c1 |
O=C(N[C@@H]1CCN(C(=O)[C@@H]2[C@H]3CC(F)(F)C[C@H]32)C1)[C@H]1Cc2ccc(F)cc21 |
COC(=O)[C@H]1CC[C@@H](NC(=O)N[C@@H]2CCc3ccc(Br)cc32)C1 |
CCCSCC(=O)N[C@H]1CCC[C@@H](NC(=O)CSCc2ccccc2)C1 |
CCC(CC)(C(=O)N[C@@H](C)CNC(=O)CN(C)S(C)(=O)=O)c1ccccc1 |
CC(=O)N[C@@H](C)C(=O)NC[C@H](O)C(=O)NCCc1ccnc(O)c1 |
O=C(NC[C@H]1CCN1C(=O)c1cccn2ccnc12)C1CCN(CC2CC2)CC1 |
CCC(CC)CCCC(=O)N[C@H]1CN(C(=O)c2cc(COC)[nH]n2)C[C@H]1C |
O=C(CN[C@@H]1COc2ccccc21)Nc1ccc(N2CCCCC2)nc1 |
C[C@H](NC(=O)CN1CCN(C)C(=O)C1)C1CCN(C(=O)[C@H](O)C2CCC2)CC1 |
COc1ccn2ncc(C(=O)N[C@H]3CN(C(=O)[C@](C)(CO)OC)CC3(C)C)c2c1 |
CCCC=CC(=O)NC[C@@H](NC(=O)[C@@H]1CCc2n[nH]cc2C1)c1ccc(C)cc1 |
CCCCCCC[C@H](F)C(=O)N(C)[C@H]1CN(C(=O)c2cc(C)c(C)o2)CC1(C)C |
CCC(C)(C)OCC(=O)N[C@@H]1CCN(C(=O)c2cc(C(C)=O)cs2)C[C@@H]1O |
Cc1cccc([N+](=O)[O-])c1N1CC(=C(F)CNC(=O)CC2(O)CCCC2)C1 |
C[C@H]1CC=CC[C@@H]1C(=O)N[C@H](C(=O)NOCCOCCO)C1CCC1 |
COc1cccc(Cl)c1NC(=O)c1cncc(NC(=O)c2cnnn2C)c1 |
Cc1cccc(OCC(=O)N(CCCNC(=O)c2c(C)cnn2C)C2CC2)c1 |
Cn1c(S)nnc1C(=O)N(CCCNC(=O)CC[C@@H]1CCCOC1)C1CCCC1 |
Cc1cc(C(=O)NC[C@H]2CC[C@H](C)N(C(=O)c3n[nH]cc3C)C2)co1 |
CC(C)(C)[C@H](CNC(=O)c1cnc[nH]1)NC(=O)CCSCC(N)=O |
Cc1cc(C(=O)N2CC[C@H]3CCN(C(=O)C(C)(C)CC(C)(C)C)C[C@H]3C2)cnn1 |
O=C([C@@H]1CCCN(Cc2cc(Cl)cnc2F)CC1)N1CCC2(CCCCC2)CC1 |
CC(=O)c1cccc(C(=O)N2CC[C@](O)(CCNC(=O)[C@H](O)C(C)(C)C)C2)c1 |
C=Cn1nncc1C(=O)N1C[C@H](NC(=O)c2cccc(F)c2Br)C[C@H]1C |
CC[C@H](O)C(F)(F)C(=O)N1CCC[C@@](O)(CCNC(=O)C=C2CCN(C)CC2)C1 |
C#CCN(CCOC)C(=O)[C@H](Cc1cn[nH]c1)NC(=O)[C@H](CCCC)C(C)C |
CN(CCNC(=O)C1(CN)CCCC1)S(C)(=O)=O |
Cc1ncoc1CN(C)c1nc(=NC[C@@H]2CCCn3ccnc32)[nH]c2c1SCC2 |
CC(C)(C)OC(=O)NC[C@@H](CNC(=O)c1nnc2n1CCOC2)c1ccccc1 |
COc1ccnc(C(=O)NC(C)(C)[C@@H](C)NC(=O)c2cnc(S(C)(=O)=O)s2)c1F |
C[C@@H](N[C@@](C)(CCI)c1nnnn1CCC1(C)CC1)c1ccco1 |
C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)N1CC[C@](CF)(NC(=O)Cn2cc(Cl)cn2)C1 |
Cc1cc(F)c(N)cc1C(=O)N1CCC2(CC[C@@H](NC(=O)[C@@H]3C[C@H]3F)C2)CC1 |
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