smiles stringlengths 6 131 |
|---|
C[C@@H](CNC(=O)[C@H]1C(F)(F)C12CC2)NC(=O)c1[nH]nc2c1CCCC2(C)C |
CC(C)Oc1ccc(C(=O)NC/C=C/CNC(=O)[C@@H]2CCC[C@H]2C)nn1 |
CC[C@@H](C(=O)N[C@H]1CCC[C@]1(C)N(C)C)N(C)C(=O)C[C@@H]1CCC[C@@H]2C[C@@H]12 |
O=C(NCc1nc2cc(Br)ccc2s1)N1C[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1 |
O=C(c1cc(F)cc(Br)c1)N1C[C@H]2C[C@H]1CCN2C(=O)c1nn[nH]c1Cl |
Cc1cc(Br)c(F)cc1NC(=O)c1c(CO)noc1C |
CC(=O)NCC(=O)NC[C@@H](NC(=O)c1c(Cc2ccccc2)noc1C)C1CC1 |
C[C@@H](CCNC(=O)[C@H](CCO)N(C)C)NC(=O)c1cccc(-c2cnn(C)c2)n1 |
CC1CCN(CCC(=O)N[C@H](C)CCNC(=O)Cc2ccc3c(c2)COC3)CC1 |
C#CCC[C@H](NC(=O)C1CC(C)(c2ccccc2)C1)c1ccccc1 |
CCc1cc(C(=O)N[C@@H]2C[C@@H]2NC(=O)c2cscc2Cl)n[nH]1 |
C[C@@H](NC(=O)CCCS(=O)(=O)c1ccc(Cl)cc1)[C@@H](C)NC(=O)C1=COCCC1 |
CO[C@H](C)CC(=O)N[C@@H]1CCN(C(=O)CCc2cnco2)C12CC2 |
O=C(CCN1CCCCC1=O)NC1(CNC(=O)[C@@H]2CC[C@H](C(F)(F)F)C2)CCC1 |
COCc1csc(NC(=O)[C@]2(C)CCCNS2(=O)=O)n1 |
C=CC/C=C/CCC(=O)NCC1(C)CCN(C(=O)c2cc(C)co2)CC1 |
O=C(NC[C@@]12C[C@H]3C[C@H]1[C@H]2[C@@H]3O)Nc1c(F)cccc1C(F)(F)F |
COC(=O)CS(=O)(=O)CC(=O)NC[C@H]1CCN(C(=O)[C@@H](F)c2ccc(F)cc2)C1 |
Cc1ccc(C(=O)N2C[C@@H]3CN(C(=O)c4ncoc4C)C[C@H]32)cc1F |
CCOc1ccc(NC(=O)[C@@H](C)Cc2ccc(-c3nn[nH]n3)cc2)cc1F |
Cn1cc(N)c(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)CCc3cccs3)C2)n1 |
CCn1ccc(C(=O)NC[C@@](C)(CNC(=O)[C@@H]2CC23CC3)OC)n1 |
C=CCCCc1cn(CCC2CCN(C(=O)C(F)(F)C3(O)CCC3)CC2)nn1 |
CN(C(=O)CC1CC1)[C@@H]1CCCC[C@@H]1NC(=O)CCCOc1ccc(Cl)cc1Cl |
CSC(C)(C)CC(=O)N[C@H](CNC(=O)C(C)(C)CO)c1ccc(C(C)C)cc1 |
COC1(C)CN(CC(=O)N[C@H](CCC(C)C)C(=O)NC2CC3(COCCO3)C2)C1 |
CCC1(C#CC(=O)N2CCOC[C@H](NC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)C2)CC1 |
CCC1(C(=O)N2CC[C@H](C(=O)NOC(C)(C)C)C2)CCOCC1 |
CO[C@H]1CC[C@H]2CN(C(=O)c3cn(CCNC(=O)C4CCC(=O)CC4)nn3)C[C@@H]12 |
CCn1nc(C)c(C(=O)NC[C@@H](CC(=O)N[C@H](C)CN2CCCC2)C2CCC2)n1 |
CO[C@@](C)(C(=O)N1CC2=C(CN(C(=O)[C@@H]3[C@H]4CCCC[C@H]43)C2)C1)C1(C)CC1 |
CCc1nnsc1C(=O)NCc1cnn(C)c1C(=O)N1CC[C@H](C#N)C1 |
COCCOCC=CC(=O)NC[C@@H](CC(=O)NC[C@H](C)C1CC1)OC |
CC(C)(C)O[C@H]1C[C@@H](C(=O)N(CCNC(=O)Cn2ncnn2)C2CC2)C1 |
CCCC[C@H](C)C(=O)NC[C@H]1Cc2ccccc2CN1C(=O)C(C)(C)CCOC |
CC[C@H]1CN(C(=O)C(=O)NC[C@@]2(C)CCCCO2)C[C@@H]1Cc1ccccc1 |
CO[C@H](C)CC(=O)N(C)[C@@H]1CN(C(=O)Cn2ccc(=O)n(C)c2=O)CC1(C)C |
CC(=O)Nc1cnccc1C(=O)N[C@H]1CN(C(=O)C[C@@H]2C=CCC2)C2(CCC2)C1 |
COC[C@H](C)CC(=O)N1CC(OCC(=O)NC2CCC=CCC2)C1 |
C#CCCCCCC(=O)NC(C)(C)CN1CCN(C(=O)C23CC2C3)CC1 |
C=Cc1ccc(C(=O)Nc2ccc(NC(=O)c3cc(O)c(O)c(O)c3)nc2)cc1 |
CN1CCO[C@H](C(=O)N2CC[C@@](O)(CNC(=O)c3cnc4[nH]cnc4c3)C2)C1 |
C=CCC(F)(F)C(=O)NCC12CCCCC1N(C(=O)CC1=CC=CN=C1C)CC2 |
CCCN(C)CCC(=O)N(C)[C@@H](C)CN(C)C(=O)[C@@H]1C[C@@H]2CCCCC[C@@H]21 |
CC(C)C[C@H](CNC(=O)c1cn2c(n1)CCC2)NC(=O)c1cncc(F)c1 |
O=C(N[C@@H]1CN(C(=O)c2cnc(S)nc2)[C@@H]2C[C@H]12)c1conc1-c1ccccc1 |
COCCN(C)C(=O)[C@@]12C[C@H]1CN(S(=O)(=O)c1ccc(CCC(=O)OC)cc1)C2 |
CC(C)CC(=O)N[C@@H](C(=O)NC[C@H](C)NC(=O)Cc1cc[nH]n1)C(C)C |
CN(C)[C@H]1CCN(C(=O)C[C@H]2CN(C(=O)c3c(Cl)cnn3C)CCO2)C1 |
N[C@@H]1C[C@@H](CC(=O)NCCCCCCCCO)C12CCC2 |
O=C(NCCC[C@@H]1CN(C(=O)[C@]23CC[C@H]2C3)CCO1)c1ccc(Cl)c(F)c1F |
CC1(C)CC(F)(F)CC[C@H]1C(=O)N[C@H]1CCN(C(=O)C2=COCCC2)C1 |
CCCC=CC(=O)NCC[C@@]12CC[C@@H](C1)N(C(=O)c1ccc(C#N)c(C)n1)C2 |
C#CCN(CCC(=O)NCCOCCO)C(=O)c1ncc2ccccn12 |
CCCn1nc(Cc2ccncc2)nc1-c1cnc(O)[nH]1 |
COCC1(NC(=O)CCc2ccco2)CN(C(=O)[C@@H]2CC[C@H]2C(C)(C)C)C1 |
CCOCCn1nnnc1[C@@H](N[C@@H](C)c1ccc(Cl)s1)c1cn(CC)nn1 |
CC[C@H](C)[C@@H](N)C(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 |
COCc1nc(C)c(C(=O)N[C@]2(C)CCN(C(=O)c3cncnc3C3CC3)C2)s1 |
Cc1ccc(C(=O)N[C@H](C)CC2CN(C(=O)[C@@H](F)CC3CC3)C2)c(C)c1 |
COc1ccc(C(=O)N[C@H](C)CCNC(=O)c2ccc(C(F)(F)F)c(Cl)c2)nn1 |
C[C@@H](OC(=O)c1cc(Cl)nc(N2CCCC2)c1)C(=O)c1ccc(F)c(F)c1 |
Cc1cc(C(=O)N2CC([C@H]3CCCN(C(=O)[C@@H]4CCC4(C)C)C3)C2)[nH]c1C |
CCO[C@@H](C)C(=O)N1CCCC[C@]12C[C@H](NC(=O)c1cn(CCO)nn1)C2 |
COc1ccc2nc(O)cc(NC(=O)[C@@H](C)C(F)(F)C(F)F)c2c1 |
O=C(COc1ccccc1F)N[C@H]1C[C@H](CCNC(=O)[C@@H]2NC(=O)[C@H]3CC[C@H]32)C1 |
Cc1nnccc1C(=O)N(C)[C@H]1CN(C(=O)c2n[nH]c3c2NCCC3)CC1(C)C |
C[C@@H]1CCN(C(=O)C[C@@H]2CC[C@H](O)C2)C[C@@H]1NC(=O)c1ccnc2cc[nH]c12 |
O=C(NCCC1(NC(=O)C23CCC2CC3)CCCC1)c1cc2c(s1)CCC2 |
O=C(c1cncs1)N1C[C@H]2CN(C(=O)COc3ccccc3F)[C@@H]2C1 |
Cc1[nH]nc(C(=O)NCCO[C@H]2CCN(C(=O)CC(=O)NC3CC3)C2)c1C |
CC(C)(CF)C(=O)N1C[C@@H]2C[C@]2(CNC(=O)c2cc3c(cc2Cl)OCO3)C1 |
CCO[C@H](C(=O)N1C[C@@H]2C[C@]2(CNC(=O)c2cn(C)c3ccccc23)C1)C(C)C |
O=C(CC1=CC=C(Cl)C=N1)NC1CC2CCC1(NC(=O)C1=C(F)C(F)=CC=C1)C2 |
CO[C@H](CNC(=O)c1conc1C(C)C)CNC(=O)C1CC(OC)(C(F)(F)F)C1 |
CCc1ccsc1CNC(=O)C(=O)Nc1ccc(SC)nc1 |
CO[C@H]1C[C@H]2C[C@H]1CN(C(=O)[C@@H](C)CNC(=O)CCc1nc(=N)[nH][nH]1)C2 |
CC(F)(F)C(=O)NC[C@@H](NC(=O)c1cnc2sccn12)c1cc(F)cc(Cl)c1 |
O=C(/C=C/C1CCN(C(=O)[C@@]23CC[C@@H](C[C@@H]2F)C3)CC1)NCCC12CC(CO1)C2 |
COC1(CC(=O)N[C@H](CNC(=O)c2csc(C)n2)[C@H]2CCOC2)CCCC1 |
Cc1cccc(CC(=O)N[C@H]2CN(C(=O)c3ncsc3C)C[C@@H]2C)c1F |
Cc1cnc(NC[C@]2(C)C[C@@H]2Br)c(S(=O)(=O)NCCn2ncccc2=O)c1 |
CC(C)C[C@@H](C)OCCC(=O)N[C@@H]1CN(C(=O)C2(Cl)CC2)C[C@H]1S(C)(=O)=O |
Cc1c(CN2CCO[C@@H](CC(=O)Nc3ccccc3CO)C2)sc2ccccc12 |
CC1(C(=O)N2C[C@H]3CN(Cc4ccc(Cl)c(Cl)c4F)C[C@@H]3C2)COC1 |
CO[C@@H](C(=O)NC1CN(C(=O)c2cc(C(N)=O)ccn2)C1)[C@H]1CCCO1 |
COC(=O)[C@@H]1CN(c2nc3c(s2)CCCC3=O)C[C@H]1c1cc(F)cc(F)c1 |
Cc1ccc2[nH]c(C(=O)N3CC[C@H]4CN(C(=O)CO)CC[C@@H]4C3)c(C)c2c1 |
CCN(CCSC)C(=O)CC1(N(C)C(=O)c2coc(N(C)C)n2)CC1 |
CCCC[C@H](C)CCC(=O)N1CC(CCCCNC(=O)CCSCC)C1 |
CCN(CC)C(=O)CCCC(=O)N1CC[C@H](CNC(=O)[C@H](O)C(F)(F)F)C1(C)C |
CCS[C@H](C)C(=O)NC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(F)cc1 |
C=C[C@H](O)C(C)(C)C(=O)N1CCn2c(nc(C(=O)N3C[C@H](F)[C@@H](OC)C3)c2Cl)C1 |
Cc1cc2[nH]c(C(=O)N[C@](C)(CNc3ncnc4onc(C)c34)C3CC3)cc2o1 |
C[C@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCN(C(=O)c2coc(Br)n2)C1 |
C[C@H](Oc1ccc(Br)cc1)C(=O)N[C@H]1CC[C@H](NC(=O)CCC2CC2)CC1 |
CCc1nn[nH]c1CNC(=O)[C@@H]1CCN(C(=O)[C@@H](CC)NC(N)=O)CCO1 |
COCC1(CNC(=O)[C@@]23CC[C@@H](CN(C(=O)[C@@H](SC)C(C)C)C2)C3)CCC1 |
Cc1coc(C2CC2)c1C(=O)N1CCN(C(=O)[C@H]2CC[C@H](C)CC2)[C@@H](C(C)C)C1 |
C=CC1(C(=O)N[C@H](C)C2CC(NC(=O)[C@H]3COCCN3C=O)C2)CCCC1 |
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