smiles stringlengths 6 131 |
|---|
Cc1csc(CCC(=O)N2C[C@@H](NC(=O)c3oc(CO)nc3C)CC(C)(C)C2)n1 |
CCn1cc(C(=O)N2CCN([C@@H]3CCCN(C(=O)C4C[C@H]5C[C@@H]5C4)C3)CC2)cn1 |
Cc1cc(C(=O)NC2C[C@H]3CN(C(=O)CC=C(Cl)Cl)C[C@@H]3C2)ncc1C(F)F |
CCN1CCOC[C@@H]1C(=O)N[C@@H](CN(C)C)C(=O)N1CCCNC(=O)CC1 |
CC(C)(CNC(=O)CSc1ccccc1)CNC(=O)[C@@]1(C)C[C@H]2CC[C@@H]1O2 |
C[C@H](CC(C)(C)C)C(=O)NCCC[C@@H](O)C(=O)NC1CCN(C2CC2)CC1 |
CO[C@H](C(=O)N[C@@H](C)CCCCNC(=O)c1cccn1C1CC1)C1CCOCC1 |
CN(C(=O)[C@@](C)(O)C1CCC1)C1CN(C(=O)Cn2nnnc2C2CC2)C1 |
C[C@H](C(=O)NOCCO)C1CCN(C(=O)C2(N(C)C)CC2)CC1 |
C#CCSCC(=O)N1CCO[C@@H](C)[C@@H]1C(=O)NC[C@@](C)(O)C1CCC1 |
CCS(=O)(=O)N(C)CC(=O)NCCCCNC(=O)C=Cc1cccc(CO)c1 |
COCC1(C(=O)N2CCC(C3(O)CN(C(=O)[C@]4(C)COCCO4)C3)CC2)CCC1 |
CC1(NC(=O)[C@H](O)CF)CN(C(=O)[C@@H](OCC(F)(F)F)c2ccccc2)C1 |
O=C(NCC1CN(C(=O)/C=C/CN2CCOCC2)C1)C1=C(Cl)CCC1 |
COc1ccncc1NC(=O)[C@H]1C[C@@H]1[C@@H](C)NC(=O)[C@H](C)C1CCCCC1 |
CC[C@@](C)(O)Cc1cn(CCC2CN(C(=O)[C@@H](C)COC(C)=O)C2)nn1 |
COc1cccc(O)c1C(=O)NCCNC(=O)[C@](C)(CC1CCC1)OC |
CS(=O)(=O)c1cccc(NC(=O)[C@H]2C[C@H]2C(=O)Nc2cc(Cl)c(Br)cn2)c1 |
COCC[C@@H](CNC(=O)CCOC1CCCC1)NC(=O)c1cn(C)c(=O)c(C)n1 |
CC(C)(O)C1(CNC(=O)N2CC(O)(C(F)(F)C(N)=O)C2)CCCC1 |
Cc1ncsc1CNC(=O)CC[C@H]1CC[C@@H](NC(=O)c2cn(C)c(C)n2)C1 |
CC(C)N(CC(=O)N1C[C@@H](O)[C@H](O)C1)C(=O)[C@H]1CCCC[C@@H]1F |
CCCN(C)CCC(=O)N[C@H]1C[C@@H](CNC(=O)C2=COCCC2)C12CCC2 |
O=C1CCC([C@@H](F)C(=O)N2C[C@@H](F)C[C@@H]2CNC(=O)[C@@H]2CNC(=O)O2)CC1 |
O=S(=O)(N[C@H]1COC2(CCCC2)C1)c1ccccc1Br |
Cn1c(CN2CC[C@@H]2C(C)(C)O)cc(Br)c1Br |
C#Cc1cncc(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)C[C@H]2OCCC2(C)C)c1 |
CC(C)(CNC(=O)C=Cc1cocn1)[C@@H]1CCCN1c1cc(C2CC2)nc(Cl)n1 |
CN(C[C@H](O)CNC(=O)C1=C[C@H]2CC[C@@H](C1)C2)C(=O)c1cnn2ccncc12 |
CCc1nc(N2CC[C@](CF)(NC(=O)C3CCC=CCC3)C2)c2ccsc2n1 |
CC(C)n1ncc2c1[C@H](NCc1nc(N)c3c4c(sc3n1)CCCC4)CCC2 |
CC(C)CO[C@H](C)C(=O)NC[C@@H]1CCN1C(=O)CS(C)(=O)=O |
CCN(C[C@H](C)NC(=O)CN1CC=CC1)C(=O)c1sc2cccnc2c1Cl |
CCc1nc(C)[nH]c1C(=O)N(C)[C@@H]1CC[C@@H]2CN(C(=O)CC3(COC)CC3)C[C@H]21 |
CC(C)(C)[C@@H](CC(=O)NCC(F)(F)c1ccc(Cl)cc1Cl)C(F)F |
Cc1csc([C@@H](C(=O)NCC2CC2)N2CCCN([C@@H](C)CO)CC2)n1 |
CC(C)[C@H](CNC(=O)CC1OCCC1(C)C)NC(=O)C1=CN=C(C2=COC=C2)S1 |
O=C(NC1CCN(C(=O)C=Cc2cccnc2)CC1)c1cnn2ccc(O)nc12 |
CC[C@@H](C)c1ccc(C(=O)NC[C@@H](C)CNc2cccc(F)c2[N+](=O)[O-])c(O)n1 |
CCCCCOc1ccc(CNC[C@@H](O)c2cnn(CC)c2)cc1 |
CC[C@@](C)(NC(=O)CS(=O)(=O)c1ccccc1)C(F)F |
COC(=O)c1csc(C(=O)N2CC(C[C@H](C)NC(=O)[C@]3(C)C[C@@H](O)CN3C)C2)c1 |
Cc1c(NCCS(N)(=O)=O)ncnc1N(C)Cc1ccncn1 |
C[C@H]1C[C@H](NC(=O)Cn2cc(C#N)c(O)nc2=O)CCN1C(=O)[C@@H]1CC1(F)F |
Cn1ccc2c(C(=O)NC[C@@H]3CO[C@H](CNC(=O)C4(CCO)CC4)C3)ccnc21 |
C#C[C@H](CC)Oc1ccc(COC(=O)[C@@H](c2ccc(Br)cc2)N2CCCC2)cc1 |
CC(C)(O)c1cnc(N2CCN(C(=O)c3ccc(Cl)c(F)c3)C[C@@](C)(F)C2)nc1 |
CN(C(=O)[C@@H]1CCCO1)[C@@H]1CCCC[C@@H]1NC(=O)c1coc2c(Br)cccc12 |
CCOc1cc(Cl)ccc1CN=C(NC[C@@H]1CCCO1)NC[C@@H](OC)C1CCC1 |
C[C@H]1[C@@H](C)[C@@H]1C(=O)N1CCC[C@H](CCNC(=O)CCc2ccc(C#N)cc2)C1 |
CC[C@@H](NC(N)=O)C(=O)N1C[C@@H]2CN(C(=O)[C@H]3C[C@H]3C)C[C@@H]2C1 |
CCN(CCNC(=O)C[C@H]1CCC(=O)N1CC)C(=O)[C@H]1Cc2nnsc2S1 |
CC[C@H]1CC[C@@H](C(=O)N(CC)[C@H]2CCCN(C(=O)c3sccc3C)C2)O1 |
Cc1ncc(CNC(=O)[C@@H]2C[C@H]2C(=O)NCc2ccc(Cl)nc2)cn1 |
CN(C)c1ccc(C(=O)N2C[C@@H](NC(=O)c3ccccc3C#N)C[C@@H](F)C2)cc1 |
CC1(CNC(=O)[C@@H]2OCC2(C)C)CCN(C(=O)C(C)(C)NC(=O)C(F)(F)F)CC1 |
CC(C(=O)N[C@@H](C)C1CN(C(=O)c2cc([N+](=O)[O-])c(C)s2)C1)=C1CC1 |
CC1CC(CC(=O)N2C[C@H](CC(=O)NCC3CCCCCC3)C[C@@H]2C)C1 |
C[C@@H](O)c1nnc(Sc2nc3c(F)cc(Br)cc3s2)n1C |
C=C(C)COc1cccc(S(=O)(=O)Nc2nc3cc(Cl)ccn3n2)c1 |
CS(C)(=O)=NCC(=O)N1CC(N2CCN(C(=O)c3cc(F)c(N)cc3F)CC2)C1 |
CC(C)N(C)c1ccccc1C(=O)N[C@H](CO)[C@@H](C)NC(=O)c1cnccc1Cl |
CC(C)(CC#N)C(=O)N1CCC(CCNC(=O)[C@H](F)c2ccc(F)cc2)CC1 |
CC1=C(C(=O)NC23CC4CC(CC(NC(=O)C5=C(C)N(C)C=C5)(C4)C2)C3)OC=C1 |
COCCC(=O)N[C@@]12CCCN(C(=O)CCNC(=O)c3cnccn3)C[C@@H]1C2 |
CCc1nc(C(=O)N2CC3(CC[C@@H](NCc4cc(F)c(Br)cc4F)C3)C2)co1 |
CC(C)(C)[C@@H](O)CONC(=O)[C@@H](O)CNC(=O)CNC(=O)C1CC1 |
CC1(C)CC(O)(C(=O)N[C@]23C[C@H]2CN(C(=O)c2c[nH]cc2-c2ccccc2)C3)C1 |
CC[C@]1(C(=O)NCCCS(N)(=O)=O)CCCN1C(=O)[C@@H](C)CC1CCCC1 |
C[C@@H](NC(=O)c1cccc(=S)n1O)[C@@H](NC(=O)c1ccnn1C)c1ccccc1 |
CCCC=C(CC)C(=O)NC[C@@H]1CC[C@H](NC(=O)CCOCCC)C1 |
CCCCOc1ccc(CNC(=O)[C@@H](CN)c2ccc(Cl)cc2)cc1OC |
COc1cc(F)c(C(=O)N2CCC(F)(F)[C@@H](C(=O)NCC3CCCC3)C2)cc1F |
C[C@@H](CC(=O)N1CC[C@H](C(C)(C)NC(=O)CN2CCOC2=O)C1)NC(N)=O |
C/C=C/C[C@H](C)C(=O)N1CC[C@@](CF)(C(=O)NCC[C@@H]2CCOC2)C1 |
C=CC1(CN=c2[nH]c(=N[C@H](CC)CN(C)C)c3sccc3[nH]2)CCC1 |
C=CC(C)(C)C(=O)NCC(=O)N1CC[C@]2(CNC(=O)N2)C1 |
CCCN1CCCC[C@H]1C(=O)NCC1CN(C(=O)c2cc(C(=O)OC)n(C)c2)C1 |
CC(=O)OC(C)(C)C(=O)N1C[C@H]2CC[C@@](C(=O)NCc3cc(C)n(C)n3)(C2)C1 |
CSCC(C)(C)C(=O)N(C1CC1)[C@H](C)C(=O)NCC12CCN(CC1)C2 |
CC(C)[C@@H](C(=O)N[C@H]1CC[C@H](NC(=O)[C@@]23C=C[C@@H](CC2)C3)CC1)N(C)C |
CNC(=O)[C@@H](C)CNS(=O)(=O)c1cccc(C(=O)Nc2onc3c2CCCC3)c1 |
C[C@@H]1CN(C(=NCc2cc3c(s2)CCC3)NCC(F)F)CC[C@H]1O |
Cc1cc(C(=O)N2CCCC[C@@H](NC(=O)CCCn3ccnc3C)CC2)cnn1 |
COc1ccc(C(=O)N[C@@H]2CC[C@H](NC(=O)[C@@H]3[C@H]4CC[C@H]43)C2)cc1O |
NS(=O)(=O)C1(C(=O)NC[C@@H]2CC3(CCC3)CN2C(=O)[C@H]2CCCC2(F)F)CCC1 |
Cn1cnc(Cl)c1[C@H](C(=O)NC1CCC(F)(F)CC1)N1CCC2(CC1)C[C@@H]2C#N |
CCn1ncc(Cl)c1C(=O)NC[C@H]1CN(C(=O)Cc2ccco2)CC1(F)F |
Cc1ccn(C(C)(C)C(=O)NC[C@](C)(CO)NC(=O)CCc2cnn(C)c2C)n1 |
Cc1c(Br)cc(Br)c(NC(=O)[C@@]2(O)CCN(Cc3c(O)ccc(F)c3Br)C2)c1Br |
Cc1c(F)cc(C(=O)NCCCNC(=O)[C@]2(C)CCCNC2=O)c(F)c1N |
CC(C)C[C@H](C)C(=O)N1CCCC[C@@H](CNC(=O)c2c[nH]c3cccc(Cl)c23)C1 |
CC(C)c1nn(C)cc1C(=O)N1CCCC[C@@H](NC(=O)c2nc(Cl)ccc2F)C1 |
Cc1nsc(N)c1C(=O)N1CC(C)(C)C(NC(=O)[C@H]2CCC[C@@H]2O)C(C)(C)C1 |
CCn1ncc(C(=O)N[C@@H]2C[C@H]2NC(=O)c2cccc(C[S@@](C)=O)c2)c1Cl |
CC1(C(=O)N[C@H]2CCCC[C@@H]2CNC(=O)c2ncccn2)CCCCCCC1 |
C#C[C@H]1C[C@H]1C(=O)N1CCC(c2cc(CNC(=O)C3(SC)CC3)on2)CC1 |
C=CCN(CC)C(=O)[C@H]1C[C@@H](NC(=O)[C@H]2CC[C@](C)(CC)O2)C1 |
CCc1onc(C(=O)N2[C@H](C(=O)N(CC3CC3)CC3CC3)CC[C@@H]2C2CC2)c1C |
C[C@H](O)[C@@H](C)n1cc(C2(NC(=O)c3ccnc4[nH]cnc34)CCC2)nn1 |
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