smiles
stringlengths 6
131
|
|---|
CNC(=O)C[C@@H]1CCCN1C(=O)NC[C@H](C(C)C)N1CCOCC1
|
C[C@H](C(=O)NC1(CNC(=O)c2cnn3ncccc23)CCC1)[C@H]1CCCO1
|
CCCN(CCNC(=O)[C@H]1CC[C@]12CCCO2)C(=O)c1ccc(C#N)cc1
|
CC[C@@H](C)n1nnnc1[C@H](NC1(C2CC2)CC1)C(C)(C)CC
|
C#CCC(CC#C)C(=O)N(C)CCC1CCN(C(=O)c2coc3c2COC3)CC1
|
CC#CCN1CCN(C(=O)CC2(NC(=O)C[C@@H]3CCCCO3)CCC2)CC1
|
CCN(C(=O)[C@@H]1CCCN(C(=O)[C@H](C)n2ccc(C)n2)C1)[C@H]1CCN(C)C1
|
O=C(c1cc2ccc(Cl)cc2[nH]1)N1CC[C@@H](CNc2ncnc(O)c2Br)C1
|
COC[C@]1(C)C=CCN1C(=O)c1cc(CNC(=O)[C@]23CCCC[C@H]2C3)no1
|
C=CCN=C(NCCCC(C)(C)O)N1CC[C@](F)(c2cccc(C)c2)C1
|
C[C@H](C(=O)N(C)[C@@H]1CCN(C(=O)CSC(F)F)C1)c1ccco1
|
O=C(C=C(Cl)Cl)NC[C@@H]1CCC[C@H](CNC(=O)[C@H]2CC(C3CC3)=NO2)C1
|
Cc1nc(C2CC2)oc1C(=O)N(C)[C@H]1CCN(C(=O)c2onc3ccccc23)C1
|
O=C1C[C@H](c2ccc(Cl)cc2)NC(=O)[C@H](Cc2cccnc2F)N1
|
C=CCC1(NC(=O)C2=NN(C)C(=O)CC2)CCN(C(=O)[C@@H](CC)NC(C)=O)CC1
|
C=C[C@H]1CCN(c2cc(N3CCC4(CC3)CC(O)C4)nc(COC)n2)C1
|
CN(C)c1ccc(-n2cc(C[C@@H]3CCN(C(=O)c4snc(O)c4Cl)C3)nn2)cc1
|
COC(=O)[C@H]1CCO[C@H]1C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CCN1CCCCCC1
|
CCc1cc(F)ccc1C(=O)N1C[C@H](O)C[C@H]1CNC(=O)CC[C@@H](CC)OC
|
CC[C@H](C)CCNC(=O)c1cc(CNC(=O)[C@@]2(C)CNC(=O)N2)no1
|
Cc1nc(CNC(=O)[C@H](C)N=[N+]=[N-])oc1C(=O)N[C@@H](C)c1ccccc1
|
C[C@@](NC[C@]1(CO)CCCOC1)(c1ccncc1)c1nnnn1C1CC(F)(F)C1
|
C[C@H](C(=O)N1CC([C@H]2CCCCN(C(=O)c3c[nH]nc3F)C2)C1)C1CC1
|
CCC(F)(F)CC(=O)N1C[C@H](C(=O)Nc2ccc(O)nc2)CC12CCC2
|
C[C@@H]1CCC[C@H]1C(=O)NC[C@@H]1CC2(CCN(C(=O)c3c[nH]ccc3=O)CC2)CO1
|
Cc1noc(CC(=O)N2CC[C@@H](NC(=O)[C@@H]3CCCN3C)C(C)(C)C2)n1
|
CCOC(=O)C1CCN(C(=O)C[C@@H]2CCN(c3nccnc3C#N)C2)CC1
|
Cc1ncsc1COCC(=O)NC[C@@H]1[C@@H](C)CCN1C(=O)Cc1ccsn1
|
CN(CCCCCCNC(=O)c1ccccc1S(C)(=O)=O)C(=O)CC[S@@](C)=O
|
COc1cccc(C(=O)N[C@@H](C)C(C)(C)C(=O)NCc2ccnn2C)c1
|
CC(C)C[C@@H](O)C(=O)N1CCC[C@](C)(NC(=O)CCc2ccc(N(C)C)nc2)C1
|
COc1cc(C(=O)N2CC3(CC3)C[C@H]2CNC(=O)[C@@H]2CCCC[C@@H]2C)c(F)cn1
|
CCOC(=O)[C@@H](CC)C(=O)N(C)C[C@H]1CCC[C@H]1NC(=O)[C@H](C)n1cc(C)cn1
|
C#C[C@H](NC(=O)[C@@H]1CCN(C(=O)CN(C)CC)C12CCC2)[C@@H](C)OC
|
Cc1noc(C)c1CC(=O)N1C[C@H](CNC(=O)Cc2cc[nH]n2)[C@@H](N(C)C)C1
|
CN1C(=O)CCC[C@H]1C(=O)N1C[C@H]2C[C@H]1CC[C@@H]2NC(=O)CSc1nncn1C
|
Cc1ccc(CCC(=O)N2C[C@H](NS(=O)(=O)c3ccc(F)c(Br)c3)[C@H](F)C2)s1
|
C[C@H](C(=O)N[C@@H](CNC(=O)CCSC(F)(F)F)CC(F)(F)F)[C@@H](C)O
|
C#Cc1ccc(C(=O)NCc2cn(C3CN(C(=O)c4n[nH]cc4F)C3)nn2)cc1
|
CCc1ncsc1C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1(Cc2ccccc2)CCC1
|
CCc1ccccc1NC(=O)[C@H](CCC1CC1)N(C)CC(=O)OC(C)(C)C
|
C=CCC[C@@](CC)(Nc1ccc(Br)cc1OC)c1nnnn1C1CCCCCC1
|
CCN1CCN(C(=O)[C@H]2COCCN([C@@H](C)C(=O)N3CCCCC3)C2)CC1
|
C[C@H](O)CN(C)C(=O)[C@H]1CCN(C(=O)CC2(C)OCCO2)C12CCC2
|
C[C@H](CNC(=O)[C@@H]1CN(C(=O)COCC2CCCC2)CCN1C)C(F)F
|
CCn1cc(CN2CCC(C(=O)N3CCN(c4ccccc4)C[C@@H]3C)CC2)cn1
|
C=CCCC(=O)N1CC(CC=C)(NC(=O)CCC(C)(C)[N+](=O)[O-])C1
|
Cc1ccc(F)cc1C(=O)N(CC(=O)NCC1(CCO)CCC1)C1CC1
|
COC(=O)CC(=O)N1C[C@@H](NC(=O)Cn2nc(-c3cccs3)oc2=O)CC[C@@H]1C
|
CSCCC(=O)N(C)[C@H]1CCN(C(=O)c2c(O)ccc3ccccc23)C[C@@H]1C
|
Cc1nn(Cc2ccccc2)c(C)c1NC(=O)N[C@@H](CC(=O)O)C(=O)O
|
O=C(N[C@H]1CN(C(=O)c2cccc(CN3CCOCC3)c2)CC[C@H]1F)[C@@H]1C[C@H]1F
|
C=C=CCC(=O)NC[C@H]1CCC2(CN(C(=O)c3cc(CS(C)(=O)=O)on3)C2)O1
|
Cc1cccc(CN2CCC(NC(=O)Nc3cccc4c3OCC[C@@H]4O)CC2)c1
|
CNC(=O)CCCN(C)C(=O)C1=NO[C@@H](CNC(=O)C(C)=C(C)C)C1
|
C[C@@H](CF)CC(=O)N[C@H]1CCN(C(=O)c2ccc(N(C)C)cc2F)[C@H](C)C1
|
Cc1nc(Br)sc1C(=O)N[C@H](C)C1CCN(C(=O)c2[nH]cc3c2CCC3)CC1
|
N[C@@H](C[C@@H]1CC=CCC1)C(=O)N1CCN(CCc2ccc(F)cc2)CC1
|
COc1ccc(Br)cc1C(=O)N1CC=C[C@H]1CNC(=O)[C@@H](C)C(F)F
|
Cc1cc2n(n1)CCN(c1cc(Cl)c(C(C)C)cn1)C2
|
CSSCC(=O)N(C)C[C@@H]1CN(C(=O)c2ncc(C(F)(F)F)n2C)CCO1
|
CC(C)[C@H](CNC(=O)[C@H]1C[C@H]2C=CC[C@H](C2)C1)NC(=O)CNC(=O)C1CC1
|
Cc1cnc(CC(=O)NCCCCCCNC(=O)c2cccc3c2CCO3)s1
|
CN(C)CCC1(C(=O)N[C@@H]2CN(C(=O)C3(N(C)C)CCCC3)C[C@@H]2F)CC1
|
Cc1cc(C(=O)NC[C@@H](C)NC(=O)c2cnc(C(C)(C)C)nc2C)sc1C
|
CCc1ccc(O)c(NC(=O)CCOCCN(C)C(=O)C[C@H]2CCCN(C)C2)c1
|
Cc1cc(C(F)(F)F)nn1CCNS(=O)(=O)c1ccc(CC(=O)O)c(F)c1
|
CC[C@@H](OC(=O)c1cc2c(F)ccc(F)c2s1)c1ccc(F)cc1
|
CN(C)CC(C)(C)C(=O)NC1CC(NC(=O)CCCC(F)(F)Br)C1
|
CCC[C@@H]1CCN(C(=O)[C@@]23C[C@@H]2CCN3C(=O)c2ccccc2O)C1
|
CNC(=O)[C@H](c1sc(C(=O)OC)nc1C)N1CC[C@H](CO)[C@@H](C)C1
|
C#Cc1cnn(C)c1C(=O)N1CCC[C@@H]1CNC(=O)C1CCN(S(C)(=O)=O)CC1
|
CC(C)C1CC(C(=O)NC[C@@H]2CCCCN(C(=O)C(C)(C)[C@@]3(O)CCOC3)C2)C1
|
Cn1ccnc1C(=O)N1C[C@H]2C[C@H]1C[C@@H]2NC(=O)c1cc2c(F)c(F)ccc2s1
|
CN(C)C(C)(C)C(=O)N1CC[C@@H](CNC(=O)Cn2nc3c(n2)CCCC3)C1
|
C=CCCN=C(NC[C@H]1CCC2(CCC2)O1)N1CCN(C(C)(C)COC)CC1
|
C=CCC1(C(=O)NCC2(CCNC(=O)C3=CCC[C@@H]3C)CC2)CCOCC1
|
C#CCCC[C@@H](C)C(=O)N1CCCC[C@H]1CNC(=O)c1cc(C(C)(F)F)n[nH]1
|
CCN1CCC[C@H]1C(=O)NCC[C@H]1CN(C(=O)c2cnc(C)cc2C)CCO1
|
COC(=O)c1nc(C(=O)N2CCC(CNC(=O)C(C)(C)C3CC3)CC2)co1
|
COc1cccc([C@@H](C)CCCC(=O)N[C@H](CCO)CSC)c1
|
CC(C)=C=CC(=O)N1CC(F)(C(=O)N[C@H]2CCn3cncc3C2)C1
|
CCCn1cccc1C(=O)NCC12CC(NC(=O)COC(C)C)(C1)C2
|
CN=c1cc(C(=O)N[C@H](CO)C(=O)NC2CC(=C3CC3)C2)cc[nH]1
|
O=C(NC[C@@H]1CCCC2(CN(C(=O)c3ncc[nH]3)C2)O1)c1cccc2cc[nH]c12
|
Cc1ccc(CCC(=O)N[C@@H]2CCC[C@H](NC(=O)CC[C@H](C)N(C)C)C2)cc1
|
O=C(CCCc1cnn[nH]1)N[C@H](CNC(=O)[C@@H]1C[C@@H]2CC[C@H]1C21CC1)C1CCC1
|
O=C(N[C@@H]1CN(C(=O)c2csc(-c3ncc[nH]3)n2)C[C@@H]1F)c1cnnn1C1CC1
|
C[C@H](C(=O)NCC1(CN(C)C(=O)Cc2cccc(C(N)=O)c2)CC1)c1ccsc1
|
Cc1onc(CNCCN2CCCCC2)c1Br
|
CC(C)Cc1cccc([C@@H](C)C(=O)OCc2cc(Br)c(Br)s2)c1
|
CCC[C@H](OC)C(=O)N(CCC)CC(=O)N1CC[C@H](C(=O)N(C)C)C1
|
CC(=O)OC1CCN(C(=O)[C@@](C)(NC(=O)Cc2cccs2)C2CCC2)CC1
|
C[C@@H](c1cn(Cc2ccco2)nn1)N(C)C(=O)c1ccc2c(c1)NC(=O)CCS2
|
CN(C)Cc1ccc(CCNC(=O)C(=O)NCC[S@@](=O)C(C)(C)C)cc1
|
C[C@@H](C(=O)N1CC[C@](C)(CNC(=O)c2cnnc3ccccc23)C1)n1cccn1
|
C[C@H]1C[C@H](C(=O)N2CCC3(CN(C(=O)c4ccsc4Cl)C3)C2)CCS1
|
O=C(NCc1ncc(C(=O)N2CCC[C@H]3CNC(=O)[C@H]32)cn1)C1C2(CC2)C12CC2
|
Cc1nnc(CC(=O)N2C[C@@H]3C[C@H](NC(=O)c4[nH]ccc4C4CC4)[C@H]3C2)s1
|
CCc1cc(C)ccc1C(=O)N[C@](C)(CNC(=O)C[C@H](C)C(C)(C)CC)C1CC1
|
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