smiles
stringlengths 6
131
|
|---|
Cc1ccc(CC(=O)NCC2CCN(C(=O)CCc3ccc(Cl)cc3F)CC2)o1
|
CCn1nc(C(=O)N2C[C@@H](CNC(=O)c3cnc[nH]3)CC(C)(C)C2)cc1O
|
CCC(CC)C(=O)N[C@@H]1COCCN(C(=O)c2[nH]c3cc(OC)ccc3c2C)C1
|
C[C@H](CN[C@@H]1CC(C)(C)Oc2ccc(C#N)cc21)S(C)(=O)=O
|
O=C(N[C@@H]1CCCCCC[C@H]1O)c1cn(CCNC(=O)[C@@H]2CCC[C@@H](F)C2)nn1
|
CCC1(C(=O)OC)CN(C(=O)[C@H]2CCO[C@@H]2CNC(=O)c2cc(C)sn2)C1
|
COC(=O)[C@H](Cc1ccccc1)NC(=O)N(Cc1ccco1)[C@H]1C[C@H]2C[C@H]1CN2
|
CC(C)[C@@]1(O)CCN(C(=O)NCC2(Br)CC2)C1
|
CON1CCC(CC(=O)N(C)C[C@H]2CCN(C(=O)CCC(C)C)C2)CC1
|
NC(=O)c1ccc(F)c(C(=O)N[C@@H]2CN(C(=O)[C@@H]3Cc4ccccc43)C[C@@H]2F)c1
|
C[C@@H]1CN(C(=O)c2ocnc2C(F)F)C[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])o1
|
CCCN1CCC[C@@H](C(=O)NC[C@H]2CC[C@H](CNC(=O)c3cccnc3)CC2)C1
|
COC(=O)[C@H](c1ccccc1)N1CCC[C@H](C(=O)N2CCC(C(F)(F)F)CC2)C1
|
CC(F)(F)C(=O)N1CC(O)([C@@H](F)C(=O)Nc2cc(Cl)ccc2O)C1
|
Cc1cccc2c1CCN2C(=O)C1=C(F)CN(C(=O)C[C@@H]2CC2(C)C)CC1
|
COc1nn(C)cc1C(=O)N[C@@H]1[C@H]2C[C@@H]3CN(C(=O)c4cc(C)c(Cl)s4)[C@H]1[C@H]3C2
|
CC(C)C[C@@H](F)C(=O)N[C@H]1CCCC[C@@H]1NC(=O)c1cc2c(F)cc(F)cc2[nH]1
|
Cc1cccc(-c2cn(CCC(=O)N(C)Cc3ccc(C)c(Cl)c3)nn2)n1
|
Cn1cnc(CN2CC[C@](O)(C(=O)Nc3c(Br)cc(F)c(Cl)c3Br)C2)c1
|
CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1CC[C@H]2NC(=O)NCCOc1cccc(Br)c1
|
CC[C@H](NC(=O)c1cccc(NS(=O)(=O)C(C)C)c1)[C@@H]1CC1(C)C
|
C[C@@H](NC(=O)[C@H](NC(=O)Cn1ccccc1=O)c1cccnc1)c1cnn(C)c1
|
Cc1nc(C2CC2)oc1C(=O)N[C@@]1(C)CCCN(C(=O)C(C)(C)[C@@H]2CCCO2)C1
|
C=CC1(C(=O)N[C@H](CCOC)CNC(=O)CSc2ccc(F)cc2)CCOCC1
|
CC[C@H](C(=O)N1CCN(C(=O)[C@H]2CCc3ccccc3O2)C[C@@H]1C)n1ccnc1
|
CC1=CCS[C@@H]1C(=O)N[C@H](CC(F)F)C(=O)N(C)CCN1CCCC1=O
|
CNS(=O)(=O)CC(=O)N1C[C@](C)(CNC(=O)[C@H]2COC(C)(C)CO2)CC1(C)C
|
CCOC(=O)[C@@H]1CN(Cc2ccn(C)c2)CCN1C(C)C
|
C[C@H]1[C@@H](NC(=O)C/C=C/C(C)(C)C)CCCN1C(=O)c1cnc([C@@H](C)O)s1
|
CCc1cnc(O)c(C(=O)NC2CN(C(=O)c3nccc(C(F)F)n3)C2)c1
|
NC(=O)NCCC(=O)N1CCC2(CCC[C@@H](CNC(=O)C[C@@H]3C=CCC3)O2)CC1
|
COC(=O)C[C@@H](C)NC(=O)[C@H]1C[C@H](F)CN(S(=O)(=O)c2cc(F)c(F)c(F)c2)C1
|
C[C@H]1CN(C(=O)COC2CCC2)C[C@H]1NC(=O)c1cc(Cl)c2ccccc2n1
|
CN(C(=O)CCCNC(=O)c1ccsc1)C1CC(NC(=O)c2ccc(C#N)s2)C1
|
CC[C@H](OC1CCCCC1)C(=O)N[C@H](CC)CNC(=O)[C@H]1C[C@@H]1C
|
O=C(N[C@@H]1CC12CCN(C(=O)[C@@H](O)C1CCCC1)CC2)c1cnc(O)s1
|
CN(C)[C@H]1CN(C(=O)[C@@]2(CO)CCN(C(=O)COCC(F)F)C2)CC1(C)C
|
Cc1cn2c(n1)C[C@H](C(=O)N1C[C@@H]3CCN(C(=O)CO[C@@H]4CCOC4)C[C@H]31)C2
|
CCN1C[C@H](C)[C@H](NC(=O)CCn2cc([C@@H](C)N(C)C(=O)OC(C)(C)C)nn2)C1
|
CCC[C@H](NC(=O)C1(CC(C)=O)CC1)C(=O)N[C@H](C)c1cnccc1C
|
C=CC[C@]1(C(=O)N[C@H]2COCC[C@@H]2OC)CCCN1C(=O)C1CC=CC1
|
COC(=O)[C@@H]1CC[C@H](NC(=O)[C@@H](c2csnn2)N2C[C@H](F)[C@@H](OC)C2)C1
|
COc1cc(C(=O)N2C[C@@H](C)[C@@H](CNC(=O)CC(C)(C)OC)C2)ccn1
|
O=C(N[C@H]1CCC2(CCN(C(=O)C[C@@H]3COC[C@H]3O)CC2)C1)c1snc(O)c1Cl
|
C#CC1(CNC(=O)C(C)(C)CCCNC(=O)[C@H]2C[C@@H]2C2CC2)CCCC1
|
C#CCCC(=O)N[C@H]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCCOC1
|
C[C@H]1CN(C(=O)C2(C)C[C@@H]3CC[C@H](C2)S3)C[C@@H]1NC(=O)c1cnn(C)c1Cl
|
CC(C)[C@@](C)(CNC(=O)c1cc(F)cc(N)c1F)NC(=O)C[C@H]1CCCC[C@@H]1O
|
C[C@H]1CCN(C(=O)[C@H]2C[C@H](C#N)C2)C[C@@H]1NC(=O)c1cnc2c(ccn2C)c1
|
CC(C)C[C@H](O)C(=O)NC[C@H]1CC[C@@H](C(=O)N[C@@](C)(CO)C2CC2)O1
|
CC(C)Oc1cc(N2CCO[C@@H]([C@@H](C)NC(=O)[C@H]3CCC(=O)N3C)C2)ncn1
|
O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cc2c(cn1)CNC2
|
COn1cnc(C)c1C(=O)NC[C@@H]1C[C@@H]1NC(=O)CNC(=O)NC1CC1
|
Cc1c(N)cncc1C(=O)NC1C[C@@H]2CCC[C@H](C1)N2C(=O)C#C[C@H]1CCOC1
|
Nc1ccc(C(=O)N2Cc3ccccc3[C@H](CNC(=O)c3cn[nH]c3)C2)cc1F
|
CCCCC(C)(C)N[C@@]1(c2nnnn2CCC2CC2)CCCS[C@H]1C
|
CCC=CC(=O)N1CC[C@H](NC(=O)c2sc3ccc(C)cc3c2C)C[C@H]1C1CC1
|
NS(=O)(=O)c1cnn(CC(=O)N2C[C@H]3[C@@H](C2)OCCN3C(=O)[C@H]2CCC2(F)F)c1
|
CC(C)[C@@H]1CN(C(=O)[C@@H](O)C2CCCC2)CCCN1C(=O)c1cc2occc2s1
|
C[C@H](Cc1nc[nH]n1)NC(=O)[C@@H](CCC1CC1)NC(=O)CN1C[C@H]2C[C@H]2C1
|
CC(C)c1cc(CNC(=O)CCCS(=O)(=O)c2cccc(Br)c2)[nH]n1
|
CSc1cc(F)ccc1C(=O)N[C@@H](C)[C@@H](C)NC(=O)c1c(C)ccc(F)c1N
|
C=CCCCCCC(=O)NCC[C@H](O)C(=O)N1CCO[C@H]2CCC[C@H]21
|
C[C@]1(C#CC(=O)N2CC(F)(CNC(=O)c3nccc4ccccc34)C2)CCCO1
|
CC(C)=CCCC(=O)N1CC[C@@H](CNC(=O)C(=O)NCCC(N)=O)[C@@H](C)C1
|
Cc1ccc2cc(C(=O)N[C@@H]3CN(C(=O)c4n[nH]cc4C)C[C@H]3C)[nH]c2c1
|
CC(C)COCCSCC(=O)Nc1ccc(N2CCCCC2)nc1
|
CCC1(C#CC(=O)N[C@H](CNC(=O)[C@H](C)c2cccc(C)c2)C(C)C)COC1
|
CC(C)CSCC(=O)N(C)C[C@H]1CCN(C(=O)c2ccnc(C(F)(F)F)c2)C1
|
CC(C)(CCC(=O)NC[C@@]1(O)CCN(C(=O)c2csc(Cl)c2)C1)N1CCOCC1
|
O=C(Nc1ccc(I)c(C(F)(F)F)c1)[C@@H]1CNCCN1c1ccnc(C2CC2)n1
|
C#Cc1cccc(CCC(=O)N2CCC[C@@H]2CN(C)C(=O)[C@H](CCOC)OC)c1
|
CC1(C)CCC=C1C(=O)N1C[C@H](O)C[C@@H](NC(=O)c2cc(F)c(O)c(F)c2)C1
|
CCc1nnc(CNC(=O)C[C@@H]2CC3(CC3)CN2C(=O)C[C@H](CC)OC)s1
|
Cc1cc(O)cc(NC(=O)C=C2CCN(Cc3cccnc3F)CC2)c1
|
CCc1nn(C)cc1C(=O)NC[C@H](C)CN(C)C(=O)C(F)(F)C[C@@H]1CCCO1
|
CCNC(=O)c1cc(F)cc(-c2cnc(NC(=O)C(C)(C)F)c(C)c2)c1
|
O=C(N[C@@H]1CC[C@H](CCC(=O)N2CCOCC2)C1)[C@H]1CCO1
|
C[C@H](NC(=O)[C@@H]1CC(C)(C)CCO1)C(C)(C)C(=O)N(C)Cc1nncn1C
|
Cc1[nH]nc(C(=O)NC[C@H](F)CNC(=O)c2cccc(C(C)C)n2)c1[N+](=O)[O-]
|
Cc1occc1C(=O)N[C@H]1C[C@@H](C)N(C(=O)c2cc(O)nc(O)n2)C1
|
CCN1CCO[C@@H](C(=O)N[C@@H]2CC[C@H](CC(=O)Nc3ccsc3)C2)C1
|
CCCn1ncc(C(=O)N[C@H]2C[C@H](C)N(C(=O)c3ccc4c(c3)COC4)C2)c1C
|
Cc1ncccc1C=CC(=O)NC[C@H](O)CNC(=O)c1c[nH]c(C)c(Br)c1=O
|
CSc1cncc(N[C@@]2(c3nnnn3C3CCCCC3)CCOC2)c1
|
CCO[C@@H](C)CCC(=O)NCc1csc(C(=O)N(C)[C@@H]2CN(C)C[C@H]2O)c1
|
Cc1ccc(C)c(C(=O)NC[C@H]2CC[C@H](C(=O)N[C@@H](C)CCC3CC3)CC2)n1
|
CC#CCCC(=O)N1[C@H]2CC[C@@H]1C[C@H]2CNC(=O)c1cc2c(OC)cccc2[nH]1
|
CC[C@@H]1C[C@H]1C(=O)NC[C@H]1CN(C(=O)C2CCN(C3CC3)CC2)CCC12CCC2
|
COCc1cc(C(=O)NC[C@](C)(CO)NC(=O)c2ncn3c2CCCCC3)on1
|
C[C@@H]1C[C@@H](C(=O)N[C@H]2CCC3(CC3)C2)CN(C(=O)COC2CC=CC2)C1
|
C=CCC(CC=C)C(=O)N1CC(c2ocnc2CNC(=O)[C@H](C)c2ccco2)C1
|
CC(C)C(C)(C)C(=O)NC[C@H]1C[C@H]2CC[C@H]1N(C(=O)c1cncc(O)c1)C2
|
Cc1cn2c(C(=O)N[C@@H](C)C3CN(C(=O)c4cc(O)cc(=O)o4)C3)c(C)nc2s1
|
Cc1ccc(CN=c2[nH]nc(Cc3ccc(Cl)cc3)s2)c(OC[C@H]2CCOC2)c1
|
CN(CCNC(=O)[C@@H]1CCSC1)C(=O)c1cc(-c2cccc(Cl)c2)on1
|
CN(C)[C@@H]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)c2ccnc4c2ccn4C)C3)C1
|
CCC(CC)c1cn(Cc2ccc(C(=O)N(C)[C@H](C)CN3CCCCC3)o2)nn1
|
COC[C@H](C)CNC(=O)C1(C)CCN(C(=O)CCc2cccnc2)CC1
|
COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)N[C@@H](C)c2cc(-c3ccccc3)on2)C1
|
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