smiles
stringlengths 6
131
|
|---|
Cc1oncc1C(=O)N[C@@H]1CCN(C(=O)Cc2cn3cccc(C)c3n2)C[C@H]1C
|
CCC1=NO[C@H](C(=O)NC[C@@H](NC(=O)c2n[nH]c(COC)n2)C(C)C)C1
|
C=C1CC[C@H]1C(=O)N[C@@H]1CCC[C@@H]1NC(=O)Cc1ncoc1C
|
CC1CCN(CCCN=c2[nH]c(=NCc3n[nH]c(=N)s3)[nH]c3c2COCC3)CC1
|
C[C@@H](C(=O)N1C[C@@H](NC(=O)c2cc3c(o2)CCCC3)[C@H](C2CC2)C1)C(F)F
|
COC[C@H](C)CC(=O)N1CCN(C(=O)c2cnc3n2CCS3)[C@@H](CO)C1
|
CC(=O)NCC(C)(C)C(=O)NCC[C@]1(C)CCN(C(=O)[C@@H](CC(C)C)C(C)C)C1
|
Cc1c(Cl)ccnc1C(=O)N1CCCN(C(=O)c2cccn2C(C)C)C[C@@H]1C
|
CC[C@H](C)C=CC(=O)N1CC(C)(OCC(=O)N2CCCC[C@@](C)(F)C2)C1
|
CN(O)C(=O)CNC(=O)C1=CCN(C(=O)Cn2cc(CO)nn2)CC1
|
COC(=O)c1cnc(N2CCC([C@H](C)NC(=O)[C@H](F)C(F)(F)F)CC2)cc1C
|
CC[C@@H](C)CONC(=O)[C@]1(NC(=O)c2cc3cccnn3c2)C[C@@H](O)C1
|
CCN(CC(C)(C)CNC(=O)[C@@H]1CCC[C@H](OC)C1)C(=O)c1cc[nH]n1
|
CC(C)C[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CCN1CCN(C(C)C)CC1)C2
|
CO[C@H](C)[C@H](O)C(=O)NCCNC(=O)c1cn(-c2ccc(Br)cc2)nn1
|
CS[C@@H](C)CC(=O)N[C@@H]1COC2(C1)CN(C(=O)c1ccn(CC(C)C)n1)C2
|
CCOC(=O)CCCNC(=O)[C@@H](c1ccc(C#N)s1)N1CC[C@H](CC(F)F)C1
|
CN(Cc1ncnn1C)c1nc(=NC[C@H]2CCCS(=O)(=O)C2)[nH]c2c1COC2
|
O=C(Cc1cccc(F)c1F)NCCCN(C(=O)CCn1cncn1)C1CC1
|
CC(C)S[C@H](C)C(=O)N1CCC([C@H](C)C(=O)N[C@@H]2CCCC3(C2)N=N3)CC1
|
CC(C)c1cccc(C(=O)N(C)[C@@H](C)CN(C)C(=O)C[C@H](C)F)n1
|
C[C@H](C(=O)N(C)C1CN(C(=O)/C=C/c2ccc(-c3ccccc3Cl)s2)C1)C(F)F
|
CCO[C@@H](C)C(=O)N1C[C@H](C)C[C@@H](NC(=O)c2cnn(C)c2CC(C)C)C1
|
CN(C)CCCC(=O)NCC12CC(NC(=O)Cc3cc(Cl)n(C)n3)(C1)C2
|
CC(C)(F)C(=O)N1CC(C2CN(C(=O)C(F)=Cc3c[nH]cn3)C2)C1
|
COc1cnc(Cl)c(C(=O)N2CC(N(C)C(=O)CCCC[C@H]3CCSS3)C2)c1
|
CCn1cccc1C(=O)N1CCCC2(CC(NC(=O)C(C)(C)c3ccns3)C2)C1
|
COC[C@@H](C)N(C(=O)c1cc(Br)c(C)o1)c1cc(Cl)ccc1C
|
C[C@@H]1C[C@H]2CN(C(=O)C(=O)c3cccn3C)C[C@H]2N1C(=O)[C@@H]1CCCSC1
|
CC(=O)N1CCC(C)(C(=O)N2CCC[C@H](c3cn(CCS(C)(=O)=O)nn3)C2)CC1
|
C[C@@H]1CN(C)CCCN1C(=O)CC(C)(C)NC(=O)C[C@@H]1CC[C@@H]2C[C@@H]12
|
Cn1ncc(C(=O)NC2CC(CNC(=O)c3ccc4[nH]c(=N)[nH]c4c3)C2)c1Br
|
CCN(C(=O)Cn1ncc(Cl)c1C)[C@H]1CCCN(C(=O)[C@H]2C[C@@H](C#N)C2)CC1
|
CCO[C@H](CC)C(=O)N[C@@H]1CCC12CCN(C(=O)c1ccc(C)c(C)c1N)CC2
|
O=C([C@@H]1CCCCO1)N1CC[C@@H]2CCC[C@@]21C(=O)NC[C@@H]1CCCSC1
|
Cn1ccc(-c2cc(C(=O)NCCNC(=O)[C@@H]3CCc4ncsc4C3)n[nH]2)c1
|
COCC(COC)C(=O)N1CC2(CCCN(C(=O)c3ccc(OC)c(N)n3)C2)C1
|
CN(C[C@H]1CCCN1C(=O)c1nccnc1N)C(=O)[C@@H]1CCc2ncsc2C1
|
C=C1CC[C@@H]1C(=O)N(C)[C@@H]1CCCN(C(=O)c2c(CC)nn(C)c2Cl)C1
|
CC[C@H]1CN(C(=O)[C@@H](NC(=O)CC(C)(C)C#N)C(C)(C)O)CCO1
|
CCOCC(=O)N[C@H](C)C1(CNC(=O)CCc2ccon2)CC1
|
CC(C)C[C@@H](CC(N)=O)CC(=O)NC[C@@H](F)CNC(=O)c1ccc2c(c1)CCN2
|
COc1ccc(CN(C)C(=O)CN2CCC[C@@](C)(CNC(=O)CC(C)C)C2)cc1
|
Cc1c(Cl)cnn1CC(=O)N(C)CCNC(=O)[C@H](F)C1CCCCC1
|
CC[C@@H](CC(F)F)C(=O)NCC1CC(NC(=O)C[C@@H]2C=CCCC2)C1
|
CCSc1ccc(C(=O)N[C@H](C)C[C@@H](C)NC(=O)C[C@]2(C)CCCO2)cn1
|
O=C(NC[C@@H]1CCN(C(=O)C23CCC(C2)C3)CC1(F)F)c1cc2cccnn2n1
|
CC=CCNC(=O)[C@@H]1[C@H]2[C@H]3C[C@H]1[C@H](NC(=O)[C@H](C)CC1CCCC1)[C@@H]23
|
N=c1nc(O)c(CC(=O)N2CCOC[C@H]2CCNC(=O)Cc2cnc[nH]2)c[nH]1
|
O=[N+]([O-])c1ccccc1CN1CCC2(C1)CN(S(=O)(=O)c1ccc(Cl)cc1)C2
|
CO[C@H](CC1CC1)C(=O)N[C@H]1CN(C(=O)c2cc(C)c(C)cc2C)C(C)(C)C1
|
COc1ccc(Cl)cc1C(=O)N[C@H]1CN(C(=O)c2ccc(C(F)(F)F)[nH]2)C[C@@H]1C
|
C[C@H]1CCC[C@@H]1CC(=O)NC1(CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)CCCC1
|
Cn1ncnc1[C@H](C(=O)NC(C)(C)C)N1CC[C@@H](C(F)(F)F)C1
|
CCC1=C(C(=O)N[C@H]2CCCN(C(=O)C3(n4cccn4)CC3)C2)SCCO1
|
Cn1nnnc1SCC(=O)NCC1(C)CCC(NC(=O)[C@H](CO)NC(N)=O)CC1
|
O=C(c1ccnc(O)c1)N1CCC2(CCC[C@@H]2N=c2[nH]nc(C(F)(F)F)s2)CC1
|
CCOc1c(OC)cc(CNC(=S)Nc2ccc([N+](=O)[O-])cc2OC)cc1OC
|
O=S(=O)(C1CCCCC1)N1C[C@H]2CN(c3ncnn4ccc(Br)c34)C[C@@H]2C1
|
COC(=O)c1c(NC(=O)[C@@H]2CNCCN2Cc2cccc(F)c2O)sc(C)c1C
|
CC(C)[C@H](C)C(=O)N1CC[C@H]([C@H](C)NC(=O)c2ccc3cncn3c2)C1
|
COC(=O)c1cc(C(=O)N[C@@H](c2nn[nH]n2)C2CCCCC2)c(C)s1
|
COc1ccc(CC(=O)Nc2ccc(NS(=O)(=O)c3cnn(C)c3)cn2)cc1F
|
Nc1cncc(C(=O)NC[C@H]2CN(C(=O)c3cc4nc(Cl)ccc4o3)CCO2)n1
|
C[C@H]1CN(Cc2cccc(Cl)c2Cl)CCCN1C(=O)c1ccc2c(c1)C(=O)CC2
|
Cc1cccc2oc(C(=O)NC3(C)CCN(C(=O)[C@H](C)CC(C)(C)C)CC3)cc12
|
Cc1cc(C(F)(F)C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC3(F)F)C2)cs1
|
Cc1cc(C(=O)N(CCNC(=O)C2(F)CCCCCC2)C(C)C)c(C)o1
|
CCO[C@]1(CN=C(NC2CCC2)N2CCC(C#N)(COC)CC2)CCOC1
|
CCC[C@@H](CNC(=O)[C@@H]1[C@H]2CC(=O)C[C@H]21)C(=O)N1[C@H]2CSC[C@H]1C2
|
CC#CCCCC(=O)N1CC[C@H](NC(=O)c2c(C)nsc2C)CC(C)(C)C1
|
O=C(O[C@@H]1c2ccccc2C2CC1C2)c1ccc2nc(O)n(C3CC3)c2c1
|
NC(=O)c1cocc1C(=O)N1CCC(CCC(=O)NCC2(O)CCCCC2)CC1
|
CCN(c1nnc(-c2scnc2C)n1CCCOC)[C@H]1CCS(=O)(=O)C1
|
CC(F)(F)C1(C(=O)NCCCN2CCN(C(=O)c3ccc(Cl)cc3)CC2)CCC1
|
CN1CCC[C@@H](Nc2ccc(S(=O)(=O)N[C@H]3CCCCc4ccccc43)cn2)C1
|
CCC(=O)N[C@@H](C)C(=O)N[C@H](CC)CNC(=O)c1nn(C)c2c1COCC2
|
CCCN(CCNC(=O)C[C@@H](C)CCc1ccccc1)C(=O)Cn1cccn1
|
CC[C@@H](CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1)NC(=O)CSc1cn[nH]c1
|
CCCCNC(=O)[C@H]([C@H]1C[C@@]2(CCN2C(=O)OC(C)(C)C)C1)N(C)C
|
CCN(C)[C@@]1(C)CCN(C(=O)[C@@H]2C[C@@H]3C[C@@H]3N2C(=O)C(C)(C)CCF)C1
|
Clc1ccc2c(c1)CO[C@@H]2CNCC1(c2ccccc2)CC1
|
CCCS(=O)(=O)CC(=O)N1CCC[C@H]1CN(C)C(=O)Cc1ncn2c1CCCC2
|
CN(C[C@H]1COCCN1C(=O)Cc1ccon1)C(=O)C1CC(C)(F)C1
|
CC1(C)CCC[C@H](Nc2nccc(=NCC[C@]3(C)CCCO3)[nH]2)C1
|
C[C@@H](C(=O)NC1(C(=O)NC[C@@H](O)C(C)(C)O)CCOCC1)C(C)(C)C
|
CC(C)C[C@@H](C)C(=O)NC[C@H]1C[C@@H](O)CN1C(=O)c1ccnc2ccccc12
|
COCCCOCC(=O)NCCN(C)C(=O)CCCC(OC)OC
|
CSCCCn1nnnc1[C@@H](NC[C@@H]1[C@H]2CCCCCC[C@H]21)C(C)(C)C
|
Cc1cnc2cc(C(=O)Nc3cccc(CNC(=O)CN4CC=CC4)c3)ccn12
|
CC[C@@H](C)CCC(=O)N1C[C@@H]2C[C@]2(CNC(=O)c2sc(S(C)(=O)=O)nc2C)C1
|
CC[C@H](C)NC(=O)[C@H](c1cc(C(=O)OC)on1)N1CCSCC[C@H]1C
|
C=CCC(CC=C)C(=O)N[C@@H]1CC[C@]2(CCN(C(=O)c3sncc3CC)C2)C1
|
CN1C(=O)CC[C@@H]1C(=O)N1CCC2(CC1)OCC[C@H]2NC(=O)Cc1cncn1C
|
CSc1ccc(C(=O)N2C[C@H]3C[C@H](O)[C@@H]2[C@@H]3NC(=O)C[C@H]2CC=CCC2)o1
|
CCOCCN(C[C@H](C)C(=O)OC)C[C@@H](O)COc1ccc(C(=O)OC)cc1
|
COc1ccc(C(=O)NC[C@@H]2CC3(CC3)CN2C(=O)C=CC2CC2)cc1[N+](=O)[O-]
|
Cc1cc2[nH]c(C(=O)N3CC(C4(NC(=O)[C@@H](O)CC(C)C)CC4)C3)cc2o1
|
C[C@@]1(NC(=O)CSc2nc[nH]n2)CCN(C(=O)[C@H]2C[C@H](Oc3ccccc3)C2)C1
|
CC[C@@H]1CN(C(=O)CC2CCC2)CC[C@@H]1NC(=O)c1cc2nc(C)[nH]c2cc1F
|
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