smiles
stringlengths 1
254
|
|---|
CN(C(=O)c1ccnn1C1CCC1)[C@@H]1CCN(CC(=O)N2CCC2)C1
|
CN(C(=O)Cn1ccc(=O)n(C)c1=O)c1ccc(C#N)nc1
|
COc1cnc(C(=O)N2CCC[C@@H]2CNCc2nonc2C)nc1
|
CCNC(=O)CN1Cc2ccc(CNC(=O)CNC(=O)CC)cc2C1
|
Cc1nc(C)c(C(=O)N2CCC[C@H](NC(=O)CC(N)=O)CC2)nc1C
|
Cc1cc(C(=O)N[C@@H]2CC3(CN(CCF)C3)n3ccnc32)n[nH]1
|
O=C1NC(=O)N2CCN(c3ccc4nnc(-c5ccccc5)n4n3)C[C@@H]12
|
Cc1cc(C(=O)NC2(CNC(=O)C[C@H]3CCCO3)CC2)n(C)n1
|
NC(=O)CC(=O)N1CC[C@@H](CNC(=O)c2nsc3ccccc23)C1
|
C=C(C)CN1C[C@@H]2CN(C(=O)Cn3ccc(=O)n(C)c3=O)C[C@]2(C)C1
|
NC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1)C1CCCC1
|
C[C@@H]1C[C@@H](N)CCN1C(=O)[C@H]1CNCCN1C
|
CC(C)Oc1ccc(NC(=O)C(=O)N2CCO[C@H]([C@@H](C)N)C2)cc1C#N
|
CCN(C(=O)c1cncnc1)C1CN(C(=O)Cc2cc(C)nn2C)C1
|
C[C@H]1CN(C(=O)Cc2ccn(C)n2)C[C@@H]1CNC(=O)Cn1ccnc1
|
CCc1ncoc1C(=O)N[C@H](CC)CNC(=O)c1cnnc(O)c1
|
CC(=O)N1CCCN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)CC1
|
CN(CC1(O)CCCC1)C(=O)C(=O)NCc1nnn(C(C)(C)C)n1
|
O=C(N[C@@H]1CN(C(=O)c2cccc(O)n2)C[C@H]1O)c1cccc2ncnn12
|
C[C@H]1C[C@@H](NC(=O)COc2cnn(C)c2)CN1C(=O)c1cncs1
|
Cc1nn(C)c(Cl)c1CNCCNC(=O)[C@H]1C[C@H]1C(=O)N(C)C
|
CCCCOC(=O)CN(CC)[C@H]1CCNC1=O
|
CCn1ccc(CC(=O)NCC2(O)CN(C(=O)[C@H]3OCCO[C@H]3C)C2)n1
|
Cc1[nH]nc(C(=O)NCC2(O)CN(C(=O)[C@@H]3C[C@H]4C=C[C@H]3O4)C2)c1O
|
Cc1cc(=O)n(C)cc1NC(=O)N[C@H]1C[C@H](O)[C@H](O)C1
|
C[C@H]1CN(C(=O)Cc2cnoc2)C[C@H]1NCc1nc(C2CC2)n[nH]1
|
O=C(NC1CC(CNc2nc[nH]c3ncnc2-3)C1)c1cnccn1
|
O=C(CCN1CCOCC1)NC[C@@H](NCc1cnsn1)C1CC1
|
O=C(NCc1ccc(Cn2cncn2)cc1)[C@@H]1COCCN1CC(F)F
|
COC(=O)NCC(=O)N1CCC(=O)NCCN(CC=C(C)C)CC1
|
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cnn(C)n2)C1
|
Cn1cc(CC(=O)N2CC[C@@H](NC(=O)c3cocn3)[C@H](O)C2)cn1
|
CC(C)(C)OC(=O)N1CC[C@@](F)(C(=O)N2CC(O)(C(=O)O)C2)C1
|
CCN1CCOC[C@H]1C(=O)N(C)CC(C)(C)CNCC(=O)NC
|
CCN(CCC(=O)OC)C(=O)C1=C(C)OCCS1(=O)=O
|
C[C@@H](CNC(=O)c1cnccn1)NC(=O)c1ccc(=O)n(C)n1
|
C[C@@H](CNCc1nccn1C(F)F)CNC(=O)Cn1ncnn1
|
CN1CCC[C@@H](NC[C@H]2C[C@H](NC(=O)[C@@H]3CCC(=O)N3C)C2)C1=O
|
COc1ncc(C(=O)N2CC[C@@H](C)C[C@H]2CNC(=O)c2nc[nH]n2)cn1
|
CCC1(C(=O)N[C@@H]2CN(C(=O)CN3CCNC(=O)C3)C[C@H]2C)CC1
|
O=C(Cn1ccnc1)N[C@@H]1[C@H]2C[C@H]1N(C(=O)c1cc3n(n1)CCC3)C2
|
COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CNCP(=O)(O)O)C3)C2)nn1C
|
CCCNCCCNC(=O)[C@H]1CN(CC)CCO1
|
C=C(C)[C@H](CC(=O)NCC[C@H](O)COC)OCC
|
CO[C@H]1CCNC[C@H]1C(=O)O
|
O=C(CN1CCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccnc3c1OCO3)CCO2
|
C=CCNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)c1cncnc1CC
|
Cn1cc(C(=O)N2CCCC23CN(C(=O)C[C@H]2NC(=O)NC2=O)C3)cn1
|
CC(C)n1cc(C(=O)NC[C@@H](O)CNc2ccc(C#N)nc2)nn1
|
CC1CC(C(=O)N2CC(N(C)C(=O)C[C@@H]3CCC(=O)NC3)C2)C1
|
C#CCSCC(=O)NCc1nncn1C
|
Cc1onc(CC(=O)NCCNS(=O)(=O)c2ccccc2)c1-c1nn[nH]n1
|
COC[C@H](C)C(=O)NCC1(NC(=O)c2ccnc(N(C)C)c2)CC1
|
COC(=O)NCC(=O)NC[C@@H](C)CN=c1cc[nH]c(-c2nn[nH]n2)n1
|
COCCn1ccc(C(=O)N[C@@H]2CN([C@H](C)C(N)=O)C[C@@H]2O)n1
|
CC(C)(C)C[C@@H]1C[C@H]1NC(=O)C(=O)NCC(C)(C)NS(C)(=O)=O
|
CN1CCOC[C@@H]1C(=O)NC1CCC(NC(=O)c2cn[nH]c2)CC1
|
CN(C(=O)[C@@]12COC[C@@H]1C2)[C@H]1CN(C(=O)CCc2cncn2C)C[C@@H]1O
|
CC(C)(CS(C)(=O)=O)C(=O)N[C@@H]1CN(C/C=C\Cl)C[C@@H]1O
|
CN1CCO[C@@H](C(=O)N2CCO[C@@H](CNc3ccc(-c4nn[nH]n4)nc3)C2)C1
|
N#Cc1c[nH]c(C(=O)N[C@@H]2CN(C(=O)CCc3cncnc3)C[C@H]2O)c1
|
CC(C)N[C@@H](C)[C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1
|
CC(C)(F)C(=O)N[C@H]1COC2(C1)CN(C(=O)c1cnns1)C2
|
CN(C[C@H]1CCN(C(=O)c2cccnn2)C1)C(=O)c1ccnn1C
|
O=C(NCCc1nnc2n1CCCCC2)C(=O)Nc1cccc2nonc12
|
O=C(O)[C@@H](CCC1OCCO1)NS(=O)(=O)c1cccc(F)c1F
|
O=C(Cn1cnnn1)N[C@H]1CCN(Cc2nccs2)C[C@@H]1O
|
CC[C@@H](C(N)=O)N1CC[C@H]1CNC(=O)C(C)(F)F
|
O=C(NCc1cnn(CC2CCC2)c1)c1cnn(C[C@H](O)CO)c1
|
C[C@@H](CN1CCOCC1)NC(=O)[C@@H](C)c1cnn(C)c1
|
Cc1cc(C)c(C)c(S(=O)(=O)NCC(=O)NCc2cn(C)nn2)c1C
|
NC(=O)N1CC[C@]2(CCOC2)C1
|
COc1ncccc1C(=O)NC[C@H](O)CNC(=O)C1CC2(CC2)C1
|
COC(=O)[C@@H](F)CNC(=O)NCc1nc(-c2nn[nH]n2)cs1
|
CNS(=O)(=O)CCNC(=O)[C@H](c1cccc(F)c1)N1CCOCC1
|
COC(=O)NC1CCN(S(=O)(=O)CC2(C(=O)O)CCCC2)CC1
|
CN1CCC2(CCCN(C(=O)CCn3cc(C#N)c(O)nc3=O)C2)CC1
|
CCC(=O)NC[C@H](CO)NCc1ccc(-c2nn[nH]n2)cc1F
|
C[C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)C[C@H]1CNC(=O)c1ccccc1O
|
C=CCOC[C@@H](NC(=O)Cc1csc(C)n1)C(=O)OC
|
COCC(=O)N1CC[C@@H](CN(C)C(=O)c2c(C)cc(C)nc2O)C1
|
CCN(CCC#N)C(=O)CN1C[C@@H](C)N(C)[C@H](C)C1
|
CC(C)CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C2)C1
|
CCN(C)C(=O)CN[C@@H](CO)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1
|
Cn1cc(C(=O)NCCCNCc2nc(O)n[nH]2)cn1
|
CCC(=O)N1CSC[C@H]1C(=O)NCc1ccc(N2CCOCC2)nc1
|
C[C@@H](NC[C@@H](O)CN(C)C(=O)CCc1ccnn1C)c1cnccn1
|
COCc1ncsc1C(=O)N1CC(CNC(=O)c2cocn2)C1
|
O=C(NC1[C@H]2CN(Cc3ncnn3CCF)C[C@H]12)c1ncc[nH]1
|
CC[C@@H]1CN(C(=O)c2cn(C)nc2C(C)C)CC[C@@H]1NC(=O)C(N)=O
|
CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O
|
C[C@@H](Cc1cnc[nH]1)C(=O)N1CC(NC(=O)Cc2ccc(O)nc2)C1
|
C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)Cc1cscn1
|
CCC(=O)N1CCN(C(=O)C2CN(C(C)=O)C2)[C@H]2CS(=O)(=O)C[C@H]21
|
COc1cc(C)ccc1CNS(=O)(=O)[C@H](C)C(=O)N(C)C
|
CC[C@@H]1[C@@H](C(=O)N2CC(NC(=O)c3c(O)nnc(C)c3C)C2)CCN1C
|
CCCC(=O)N1C[C@@H](NC(=O)C[C@H]2CC(=O)NC2=O)[C@H](C)C1
|
CO[C@@H]1CN(CC(=O)N[C@@H](C)c2ccco2)C[C@H]1NC(=O)C(C)(F)F
|
CO[C@H]1CN(C(=O)NCCNC(=O)Cc2cccc(F)c2)C[C@@H]1OC
|
C[C@]1(C(=O)N2CCCN(CCCS(C)(=O)=O)CC2)CNC(=O)C1
|
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