smiles
stringlengths 6
131
|
|---|
COC[C@](C)(O)CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CCCNC(N)=O
|
COc1cc(C(=O)Nc2ccc(C)cc2Br)cnc1-c1cncc(OC(C)C)c1
|
Cn1ncc([N+](=O)[O-])c1C(=O)OC[C@@H]1CCC[C@@H]2C[C@@H]12
|
O=C1CC[C@@H](CC(=O)N2CC[C@@]3(CCN(c4ncnc5c4SCCC5)C3)C2)CN1
|
COCCNC(=NCCc1cccc(Br)c1)NC[C@](C)(O)c1ccccc1
|
CN1CCC[C@H](C(=O)N2C[C@@H]3C[C@@H](NC(=O)c4ccc[nH]4)[C@H]3C2)C1
|
Cc1cc(C(=O)N2CC[C@H](F)[C@H](NC(=O)c3ccc(F)cc3Br)C2)n(C(F)F)n1
|
C[C@H](CC(F)(F)F)C(=O)N[C@H](C(=O)N(CC1CC1)CC1CC1)c1cnn(C)c1
|
CCC=CC=CC(=O)N1CCC(C)(C)[C@@H]1CNC(=O)c1cc(C)[nH]n1
|
C=CC[C@@]1(C(=O)N2CC(C#N)C2)CCN(C(=O)c2ccc(C)c(C)n2)C1
|
CC1(C)C(CC(=O)N[C@@H]2CCC[C@@H](NC(=O)c3cnc[nH]c3=N)CC2)C1(C)C
|
CC[C@@H](CNC(=O)C1CC(N2CCOCC2)C1)NC(=O)C1(c2ccn(C)n2)CC1
|
CCCN1CCC[C@@H](C(=O)NCCN(CC)Cc2nncs2)C1
|
Cn1nc(CNC(=O)[C@]2(C)CNC(=O)C2)cc1C(=O)N1CC(Cc2ccco2)C1
|
CO[C@@H](C)C1CN(C(=O)C2(CNC(=O)C[C@@H](C)n3cccn3)CC3(CC3)C2)C1
|
COCC[C@H](OC)C(=O)N1CC[C@H]1CNC(=O)CSCC(=O)N1CCOCC1
|
CN(C(=O)[C@@H]1CCC[C@H](CF)C1)C1CN(C(=O)[C@H](CO)c2ccccc2)C1
|
C[C@@H]1CCCN(C(=O)C(=O)N(C)[C@H](C)CNC(=O)c2cnn(C)c2Cl)C1
|
CC(C)[C@@]1(C)C[C@H]1C(=O)NCCCCNC(=O)c1nn(C)cc1S(N)(=O)=O
|
CC[C@@H](NC(=O)c1c[nH]nc1CNC(=O)[C@@]12CC[C@@H](C1)O[C@@H]2C)C(C)C
|
CCc1cc(C)c(C(=O)N[C@H]2CN(C(=O)c3cc(Cl)n(C)n3)C[C@@H]2C)o1
|
COCC(C)(C)C(=O)N(C)C[C@]1(O)CCN(C(=O)c2oc(Br)nc2C)C1
|
Cn1nc(CN2CCCC2)cc1C(=O)NCCN1CCN(C(=O)C2=CCC2)CC1
|
CCOC(=O)NCCCC(=O)N[C@@H](CC)CN(C)C(=O)c1sccc1OC(F)F
|
CCCCCC[C@@H](C)C(=O)NC[C@]1(C)CCCN(C(=O)C2CC2)C1
|
CC(=O)N(C)CCC(=O)N1CCc2nc(-c3cnc(N4CCCC4)nc3)sc2C1
|
COC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC(C)(NC(=O)c2cc(F)c[nH]2)C1
|
CO[C@@]1(C(=O)N(O)Cc2cn(-c3ccccc3[N+](=O)[O-])nn2)CCOC1
|
O=C(N[C@@]12CC[C@@H](C1)N(C(=O)C1(C(F)F)CCC1)C2)c1ccc2nccn2n1
|
COc1ccn2cc(C(=O)N(C)[C@@H](C)CNC(=O)CN3CCOCC3)nc2c1
|
CN(CCF)CCNC(=O)[C@H](CNC(=O)C1(C2(C)CC2)CC1)CC1CC1
|
Cn1cc([C@H](NC(=O)c2ccsc2C#N)C(=O)N2CC(c3cc(O)n[nH]3)C2)nn1
|
CC1(C)COC[C@@H]1C(=O)N[C@@H]1C[C@@H](C(=O)Nc2ccc3nc[nH]c3c2)C1(C)C
|
CC[C@@H](O)[C@@H](C)C(=O)Nc1cccc(-c2noc(C(F)(F)F)n2)c1
|
C=C[C@](C)(O)CC(=O)N1CC[C@@H](OCCNC(=O)Cc2cnc(C(F)(F)F)s2)C1
|
Cc1cc(=NCCC[C@H](C)CO)[nH]c(=NCc2c(C)cc(Br)cc2C)[nH]1
|
CCC(=O)N[C@@H](C)C(=O)N[C@H]1CC2(CN(C(=O)[C@@H]3CCCN3C)C2)n2ccnc21
|
C=CC(F)(F)C(=O)NCCOCCN(C)C(=O)c1cnc(N(C)C)cn1
|
O=C(c1ccn2cccc2c1)N1CC[C@H](NC(=O)C2(CCO)CC2)[C@H](F)C1
|
C[C@@H]1OCC[C@H]1C(=O)N1CCCN(C(=O)c2c(F)ccc3c2OCC3)CC1
|
OC[C@@H]1CN(c2ncc(Br)cc2O)CC[C@H]1c1ccc(F)cc1
|
O=C(NC[C@@H]1C[C@@H]1CNC(=O)c1ncc[nH]c1=O)c1ccc(-c2ccon2)cc1
|
COc1ccc(NC(=O)[C@@H]2CCN(C(=O)Cc3ccccc3Br)C2)cc1C
|
COC[C@](C)(O)C(=O)NCC(C)(C)CN(C)C(=O)[C@@H](C)c1ccc(C)s1
|
CC(C)C(C)(C)C(=O)N[C@H]1COCCN(C(=O)CO[C@H]2CCOC2)C1
|
C[C@H]1CC[C@H](CNC(=O)c2ccc(Cl)nc2N)CN1C(=O)CSc1ccncc1
|
C[C@@H](CC(=O)N(C)CC(C)(C)CNC(=O)[C@@]12CCC[C@@H]1C2)NC(N)=O
|
CC[C@H](CNC(=O)c1ccc2nc[nH]c2c1F)NC(=O)c1ccc(N)cn1
|
CN(CCN=[N+]=[N-])C(=O)[C@H]1CCN(C(=O)C[C@@H]2CCCC(=O)C2)C1
|
COC1CC(C(=O)N2[C@H]3CC[C@@H]2C[C@@H](N(C)C(=O)C2=C(Cl)CCC2)C3)C1
|
Cc1c(C(=O)N(C)[C@@H](CNC(=O)C2CC(C3CCC3)C2)C2CC2)sc2nccn12
|
C[C@H](O)CCC(=O)N1CCCC[C@@H]1CNC(=O)CCNC(=O)[C@@H]1C[C@@H]1C
|
Cc1cccc(C(=O)NCC[C@]2(O)CCN(C(=O)c3ccnnc3)C2)c1
|
CO[C@H](C(=O)N1CC[C@H](O)[C@@H]1C(=O)N1CC(F)(CO)C1)C(C)(C)C
|
CC(C)(C)C1(C(=O)N2CC[C@@](C)(NC(=O)c3c[nH]c(=N)s3)C2)CCC1
|
O=C(Cc1ccno1)NC[C@]1(CNC(=O)[C@H]2CCC[C@H]2F)CC12CCC2
|
OCC1(CN[C@H](C2=NO[C@H]3C[C@H]23)c2nnnn2C2CCCC2)CCC1
|
COC(=O)[C@H](NS(=O)(=O)c1cc2c3c(c1)CC(=O)N3CCC2)C1CCC1
|
Cc1ccc(C(=O)N2CCN(C(=O)C3=CCC[C@H]3C)CC[C@H]2C)c(C)c1
|
C[C@H](OC(C)(C)C)C(=O)N1C[C@H]2C[C@@]2(C(=O)Nc2ccc(O)c(CO)c2)C1
|
C=CCC(=O)N1CC[C@]2(CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)C1
|
CO[C@](C)(C(=O)N1CCc2[nH]nc(CNC(=O)[C@H](C)SC)c2C1)C1CC1
|
Cc1c[nH]nc1C1(C(=O)N(C)[C@@H](C)CSc2ccccc2)CC1
|
CCn1ncnc1C(=O)N[C@@H]1CN(C(=O)CCCCCOC)C[C@H]1O
|
Cc1cc(O)nc(C(=O)N2CCCN(C(=O)Cn3nc(C)n(C)c3=O)[C@@H](C)C2)c1
|
CCOC(=O)[C@@H](OC)C(=O)N1C[C@H](n2ccnn2)[C@H](NC(=O)CCCC(C)=O)C1
|
Cc1ccc(F)c(C(=O)N(C)C[C@H](C)N(C)C(=O)c2ccc(P(C)(C)=O)s2)c1
|
O=C(NC[C@@]1(C(F)F)CCN(C(=O)c2cccn2C2CC2)C1)[C@@H]1CCCSC1
|
CC[C@@H](C)[C@@](C)(NCCOCCO)c1nnnn1C1CCC(F)(F)CC1
|
C=C(Br)CCC(=O)NC[C@H](NC(=O)CCc1ccnn1C)C1CCC1
|
CCn1cc(C(=O)N2CCN(C(=O)[C@H](F)OC)[C@@H](CC(C)(C)C)C2)cn1
|
CCn1ncc(NC(=O)[C@H]2CCN(C(=O)C=Cc3ccc(C)o3)[C@@H]2C)c1C
|
C[C@@H]1C[C@@H](NC(=O)C2(C)CCN(C)CC2)CCN1C(=O)c1c[nH]c(C(F)(F)F)c1
|
CC(C)(C#N)CC(=O)N[C@@H]1CN(C(=O)C(F)(F)C(F)F)CC2(CC2)C1
|
Cn1cncc1C(=O)N[C@]12CCCN(C(=O)/C=C/c3cccc(F)c3Cl)C[C@@H]1C2
|
CSc1ccc(C(=O)N[C@H]2C[C@H]3C[C@@H](NC(=O)c4ccc(=O)oc4)[C@H]3C2)cc1
|
CCc1cccc(CC(=O)N2C[C@@H]3CC[C@]3(CNC(=O)C[C@H]3CCCCO3)C2)c1
|
CC[C@@H](C)OCC(=O)N1C[C@@H](O)[C@H](N(C)C(=O)CN(C)Cc2cccc(Cl)c2)C1
|
CCn1ccnc1C(=O)NC(C)(C)CCNC(=O)[C@H]1C[C@H](SC)C1
|
CSc1ccsc1C(=O)NC[C@@H]1CN(C(=O)C(C)(C)C(N)=O)CC12CC2
|
CCCN1C(=O)CC[C@@H]1C(=O)NC[C@@H](CC)NC(=O)c1cc2ccsc2s1
|
CC1(C)C[C@H](CC(=O)NCCNC(=O)c2cc(C#N)ccc2N)CCO1
|
CCn1cc(C(=O)N[C@@H]2CCN(CC(=O)NC3CCCC3)C2)c(C2CC2)n1
|
CO[C@](C)(CNC(=O)c1cscc1C)CNC(=O)[C@@]1(C#N)C[C@@H]1C
|
CCN1CCC2=C(C1=O)[C@H](c1ccc(C(F)(F)F)o1)NC(=O)N2Cc1nccs1
|
C=CC(F)(F)C(=O)N1CCC2(CC1)C[C@@H](C)N(C(=O)Cc1cccc(Cl)c1F)C2
|
CC(=O)NCCCC(=O)N1C[C@H]2C[C@H](C)N(C(=O)C3=CCC[C@@H]3C)[C@H]2C1
|
CN1CCN(C(=O)[C@@H]2CCCOC2)[C@@H](CNC(=O)CON=C2CCCCCC2)C1
|
CCOC(=O)Cc1cnc(SC)nc1NC(=O)CCSCc1csc(C)n1
|
C=CCCCCCCCC(=O)N1CCC[C@H](N(C)C(=O)COc2ccon2)C1
|
Cn1cc(CN2C[C@H](F)C[C@H]2C(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)c2ccccc21
|
CC1(C)CN(C(=O)[C@H]2C[C@@H]2C2=CC=CC=C2)C[C@H](CNC(=O)C2=CC(F)=CS2)O1
|
O=C1NCc2cc(C(=O)NC[C@@H]3CC[C@H]3NC(=O)[C@H]3CC34CC4)cnc2N1
|
CCc1nnc(NC(=O)[C@H](C)[C@@H](C)NCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])s1
|
C[C@H](O)c1n[nH]c([C@H](C)NCC2=CN(C(=O)OC(C)(C)C)CC2)n1
|
CCSCCC(=O)NCC[C@H](C)CCNC(=O)C1(Cc2cccnc2)CC1
|
O=C(N[C@@]12C[C@@H]1CN(C(=O)c1c[nH]cc(Cl)c1=O)C2)c1cc2nc(=O)ccn2[nH]1
|
CCCCn1cc(C2(N(C)C)CN(C(=O)[C@]34COC[C@H]3C4(F)F)C2)nn1
|
CCC(CC)(CN=c1[nH]cnc2cc(C)ccc12)NC(=O)[C@H]1CCNC1=O
|
CC(C)N(CC(=O)NC[C@]1(O)CCC[C@@H]1C)C(=O)c1cncn1C
|
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