smiles stringlengths 6 131 |
|---|
CN(C)c1ccc(C(=O)N2CCO[C@](C)(CNC(=O)c3ccc(CO)s3)C2)nn1 |
CC[C@H](C)[C@H](O)[C@@H](C)C(=O)N1CCC[C@@H](n2cc(CO)nn2)C1 |
C[C@H]1CCN(C(=O)C2=COCC2)[C@@H]1C(=O)NCCc1nncn1C |
CN1CC(=O)N(C)C1=NC(=O)[C@]1(CO)CCCCO1 |
COCCNC(=O)C(=O)N[C@@H]1CN(C(=O)c2nccn3nccc23)C[C@H]1C(F)F |
Cc1cnn(C)c1CC(=O)N[C@@H]1C[C@H]1NC(=O)[C@@H]1CC(c2ccccc2F)=NO1 |
O=C(CSc1nc[nH]n1)NC[C@H]1COCCN1C(=O)C=Cc1ccc(O)cc1 |
C=CCC1(NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)CN(C(=O)C=C2CCCCC2)C1 |
COc1ccc(CO)cc1C(=O)N1CC[C@H](C)N(C(=O)CC(F)(F)F)CC1 |
CC(C)(O)CC(=O)N1CC[C@](C)(NC(=O)c2cc(Cl)ncc2Cl)C1 |
CCN(C[C@H](O)COC)C(=O)C12CC(C)(CN1C(=O)[C@@H]1CC(=O)NC1(C)C)C2 |
CC(=O)N[C@@H](C)C(=O)N(C)CCCNC(=O)Cc1sc2ccccc2c1C |
CN(CC(C)(C)CNC(=O)C1=NOC2(CCC2)C1)C(=O)C1=CCC1 |
CC(=O)N1CC[C@H](N(C)C(=O)[C@H](F)[C@H](C)CNC(=O)C[C@]23CCC[C@H]2C3)C1 |
CCCC[C@H](CNC(=O)c1cncc(Cl)n1)NC(=O)[C@@H]1C[C@]12CCO[C@@H](C)C2 |
CCNC(=O)CCCC(=O)NC1(CO)CN(C(=O)[C@@H]2C[C@]2(CC)C(C)C)C1 |
CN(C(=O)CC[S@@](C)=O)[C@H]1CCN(C(=O)c2cncc(N)n2)C1 |
C=CCCCC(=O)N1CC2(CO[C@H](CNC(=O)c3ccc(C)c(Cl)c3)C2)C1 |
CC(C)[C@]1(C(=O)N(C)[C@H](C)C(C)(C)O)CCN(C(=O)CNC=O)C1 |
CSC[C@H](O)C(=O)N[C@]1(c2ccccc2)C[C@@H](NC(=O)c2cscc2Cl)C1 |
CCOC(=O)[C@H](CC)C(=O)N[C@@H]1CCN(CCCNC(=O)CC2CN(C)C2)C1 |
CN(C)[C@@H](Cc1cccc(F)c1)C(=O)NCCNS(=O)(=O)C(F)F |
CC1=C(C(=O)NCCN(c2nc(Cl)nc(C3CC3)c2F)C2CC2)SCCO1 |
Cc1cnc(CCNC(=O)C2CCN(C(=O)c3cc(C4CC4)on3)CC2)o1 |
CCCc1cc(C(=O)NCC2(NC(=O)C3CC4(CC(O)C4)C3)CC2)sc1C |
COC[C@@H](C)C(=O)NCC[C@H](C)NC(=O)c1ccc(OC)s1 |
O=C1CC[C@@H]([C@H]2CCCCN2c2cc(=O)[nH]c3ccncc23)C(=O)N1 |
Cc1ccc(F)cc1C(=O)NCCC[C@@H](CO)NC(=O)[C@H]1C[C@@H]1F |
COCC1(NC(=O)c2ccc(CNC(=O)[C@H]3CCO[C@H]3C)cn2)CC=CC1 |
CN(C)CC(=O)NCC12CCC(CC1)N2C(=O)c1cccnc1-c1cnn(C)c1 |
CC(C)N(CC(=O)NC[C@@H]1CCCOC1(C)C)C(=O)[C@H]1CC2(CC2)CO1 |
CCN1CCC(n2nc(-c3cccc(F)c3)nc2C[C@H]2CCO[C@@H]2C)CC1 |
CC(C)[C@@H](C)CC(=O)N[C@H](CCC1CCC1)C(=O)N1CC2(CC(O)C2)C1 |
Cc1cnc(C(=O)NC[C@H]2CCC[C@@H]2NC(=O)Cc2csc(Cl)c2)c(C)c1 |
CC(C)[C@H](CNC(=O)c1occc1F)NC(=O)[C@@H]1Cc2cccnc2C1 |
C[C@@H](C(=O)N[C@](C)(CNC(=O)Cn1nccn1)C1CC1)n1ccnc1 |
Cc1[nH]nc(Cl)c1C(=O)N[C@@H]1CCC[C@@H]2CN(C(=O)[C@]3(C)C[C@H](O)CN3C)C[C@H]21 |
N#Cc1ccc(CCC(=O)NC[C@H]2C[C@H]2NC(=O)c2coc(Cl)n2)cc1 |
CCc1cccc(C(=O)N[C@H]2CCC[C@@H]2NC(=O)c2cnc(Br)s2)c1N |
COc1ccc(N(CC2CC2)C(=O)N2CC(CNC(=O)OC(C)(C)C)C2)cc1 |
CCc1cc(C#N)c(NC(=O)[C@H]2C[C@@H](NC(=O)c3cnc(C)[nH]3)C2)s1 |
CC1CCC([C@H](CO)NC(=O)c2cccc(Oc3ccccc3)n2)CC1 |
C[C@H](C(=O)N(C)CCCCN(C)C(=O)CCCCCF)n1ccc(C2CC2)n1 |
C[C@H](CCNC(=O)CNC(=O)C1CCOCC1)N(C)C(=O)[C@H](O)C1CCCC1 |
CCc1nc(C)ccc1NC(=O)C1(CNC(=O)C(=O)C(C)(C)C)CC=CC1 |
O=C(CC[C@H]1CC1(F)F)N[C@H]1C[C@](F)(CNC(=O)[C@H]2CN3CCN2CC3)C1 |
COC[C@H](C)C(=O)N1C[C@H](CNC(=O)CN2CSCCSC2)CC12CCOCC2 |
O=C(N=c1ccn(C2CC2)[nH]1)[C@@H]1C[C@@H]2C[C@H]2N1C(=O)c1cccc(Cl)c1 |
C#CCCNC(=O)[C@]1(C)CCCN1C(=O)c1cc(OCC)n[nH]1 |
CC[C@H](C(=O)N1CCC[C@@](F)(C(=O)NC[C@@]23CC[C@@H](CO2)C3)C1)N(CC)CC |
C=CC[C@@H]1CCN(C(=O)[C@]2(NC(=O)[C@H]3CCCCCN3C)CCSC2)C1 |
C=CCCC(=O)NC[C@@H]1CN(C(=O)[C@H]2C[C@H]3CCC[C@H](C3)C2)C[C@H]1O |
C[C@@H](F)CC(=O)N1C[C@@H](CC(=O)NCC(=O)NC(C)(C)C)C2(CC2)C1 |
COC1(C(=O)N2C[C@@H](C(=O)NC[C@](C)(F)C(C)(C)F)C(C)(C)C2)CC1 |
CCn1ncc(C(=O)N2C[C@]34CCC[C@@]3(C2)CN(C(=O)C2(Br)CC2)C4)n1 |
CO[C@@H](C)C1CN(C(=O)[C@H]2CN(C(=O)CCC(C)=O)C3(CCC3)C2)C1 |
Cn1nc(C(=O)N[C@@H]2CC[C@@H]2NC(=O)C2(CO)COC2)c(C(F)(F)F)c1Cl |
C#CC[C@H](CC(=O)N[C@H](C)C1CC2(CCC2)C1)NC(=O)c1ccnc(C)c1C |
Cc1cc(O)nc(C)c1C(=O)NC[C@@H](O)CCNC(=O)[C@H]1CCN1S(C)(=O)=O |
CNCCCCCN1CCCC[C@@H]1CCC(=O)NC |
CC(C)Cc1cc(C(=O)NCC[C@H](C)NC(=O)/C=C/[C@H]2CCCN2C)cc(O)n1 |
CCN(CC)[C@@H](C(=O)NC[C@]1(F)C[C@H](NC(=O)[C@@H](C)c2cnn(C)c2)C1)C(C)C |
O=C(NC1CCN(C(=O)CSc2ccc(O)cc2)CC1)c1ncncc1Cl |
CC[S@@](=O)(=NC(=O)C(C)(C)c1cc(F)cc(C(F)(F)F)c1)C(C)C |
Cn1cc(C(=O)N[C@@](C)(CO)CNC(=O)c2cc3cc(Br)ccc3[nH]2)nn1 |
O=C([C@@H]1CCSC1)N1CC[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc([N+](=O)[O-])cn1 |
COc1ccc(CC(=O)NC[C@H](NC(=O)[C@H]2CCC23CCOCC3)C2CC2)cn1 |
O=C(C=Cc1cocn1)NC[C@@H]1[C@H]2CCC[C@H]1N(C(=O)Cc1ccc(Cl)nc1)C2 |
C=C[C@](C)(O)C(=O)N1CCC[C@@]2(C1)[C@@H](NC(=O)COc1cccnc1)CCN2C |
C=C1C[C@@H](C(=O)N[C@H](CO)c2ccc(C)cc2)N(C(=O)c2sc(C)nc2C)C1 |
Cc1cncc(C(=O)N2C[C@@]3(NC(=O)C=Cc4cn[nH]c4)CCC[C@@]3(F)C2)c1 |
O=C(CCn1cc(Cl)cn1)N1CC[C@H](NC(=O)C2(N3CCOCC3)CC2)C1 |
CS(=O)(=O)N1CCC(N=c2[nH]c(=NCCCOC(=N)O)[nH]c3cc[nH]c23)CC1 |
CCn1nc(C)cc1C(=O)N[C@@H]1COCCN(C(=O)C23CC(C)(C2)C3)C1 |
CCCC1CC(C(=O)NNc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 |
Cc1nc2n(n1)CCN(C(=O)[C@]13CCC[C@@H]1CCN3C(=O)[C@@H](C)C(C)C)C2 |
CC(C)(CNC(=O)CC12CC(C1)C2)NC(=O)c1cccc(N)c1Br |
CC(=CC(=O)N1C[C@@H](NC(=O)C[C@H]2CC(C)=NO2)C2(CCOCC2)C1)C(C)C |
Cc1nn(C)c(Oc2cccnc2)c1CN1C[C@H]2[C@@H](CN)C[C@H]2C1 |
Cc1c(C(=O)N2CCC[C@H](N(C)C(=O)[C@@H](C)SC(C)C)CC2)sc2nccn12 |
O=C(NC[C@H](O)COc1cccc(Cl)c1Cl)[C@@H]1C[C@H]1[C@H]1CCCNC1 |
Cc1cnn(CC(=O)N2CCC(C)(CNC(=O)Cc3c(Cl)cccc3Cl)CC2)c1 |
Cc1ccc(OCCCC(=O)NCC2(CN=c3ccnc(C)[nH]3)CCCC2)cc1 |
C[C@H](NC(=O)CC1(O)CCCCC1)[C@@]1(O)CCN(C(=O)c2csc(Cl)c2)C1 |
Cc1cnn(CCC(=O)N[C@@H](C)CCNC(=O)C(C#N)=Cc2ccccc2)c1 |
Cc1cc(C)n([C@H](C)CC(=O)N[C@@H](C)CCCNC(=O)[C@@H]2CCN2C(C)(C)C)n1 |
CN(C)CCC(=O)N1CCOC[C@@H]1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 |
CC1=NO[C@@H](CC(=O)NC[C@H]2CC[C@@H](NC(=O)c3cc(C)c(C)nn3)C2)C1 |
CO[C@@H]1C=CCN(C(=O)C[C@]2(C)CCN(C(=O)C3CC4(CC[C@@H]4O)C3)C2)C1 |
Cc1cc(CC(=O)N2CCCC[C@@H]2CNC(=O)[C@@H]2CC(=O)N(C)C2)ccc1CO |
Cc1csc(C(=O)N(CC(=O)N[C@@H]2COC(C)(C)C2)C2CC2)c1 |
Cc1cc(C(=O)NC2(CC(=O)NC[C@H](O)CC(C)(C)C)CCC2)cc(O)n1 |
CCc1c[nH]nc1C(=O)N[C@H](C)CCCNC(=O)c1cc(Cl)c(F)c(Cl)c1 |
CCOCCCC(=O)NCc1cn(CCNC(=O)[C@@H](OCC)C2CC2)nn1 |
C[C@@H]1Oc2ccc(C(=O)NCC#CCNC(=O)C3CC4(CCC4)C3)cc2[C@@H]1C |
O=C(NC12CC(C(=O)N[C@H]3CC4(CCC4)[C@H]3O)(C1)C2)c1ccc(F)c(F)c1 |
CCc1[nH]nc(C(=O)N2CCN(C(=O)C3CCN(C)CC3)[C@H](CO)C2)c1Br |
C#CC[C@@H](C)NC(=O)NC1(c2ncc(Br)cn2)CCC1 |
CCC[C@H]1CCCN(c2nc(N3CCc4nccnc4C3)nc3c2SCC3)CC1 |
O=C(Cn1ccnn1)NC[C@H]1CN(C(=O)c2ccc[nH]2)CC2(CCC2)O1 |
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