smiles
stringlengths 6
131
|
|---|
C=CCOC(=O)NCC(=O)N1CC2(CC2)C[C@H]1C(=O)N1CCCc2occc2C1
|
CC(C)(C)CCCC(=O)N1CCC[C@H](CC(=O)N2C[C@@H]3CC[C@H](C2)C3O)CC1
|
CCc1ccc(O)c(C(=O)NCCN(CC)C(=O)c2csnc2C)c1
|
CC(C)CCCCN(C)C(=O)[C@@H](NC(=O)C1=NN(C)C(=O)CC1)c1cccnc1
|
Cc1nn(-c2cccc(Br)c2)cc1CN1CCN(C)C[C@@H]1CO
|
Cc1cc(O)nc(C(=O)N2CC[C@@H](CC(=O)N[C@H](C)c3ccnn3C)C2)c1
|
O=C(c1cn2c(n1)CC[C@H](C(F)(F)F)C2)N1C[C@H]2CC[C@H]1C2
|
COCCN1C=C(C(=O)NC2(CCC(=O)O)CCCC2)N=N1
|
CN(C)C(=O)CCCC(=O)N[C@@H]1C[C@H]2CN(C(=O)Cc3csc(C4CC4)n3)C[C@H]21
|
CC(C)[C@@H](O)[C@H](C)C(=O)N[C@H]1CCC[C@H]1C(=O)NCc1csnn1
|
CC[C@@H]1CN(C(=O)[C@H](C)OC)C[C@@H]1NC(=O)C1(C(=O)NC)CCC1
|
CC[C@@H](C(=O)NCC1(NC(=O)C[C@@H](C)F)CCCCC1)c1cccnc1
|
C=C(C)CCC(=O)N1CCC[C@@H]1CNC(=O)[C@H](CC)c1cccnc1
|
CC1=NOC(=O)[C@@H]1CCC(=O)NCC1[C@H]2CN(C(=O)c3ccccc3)C[C@H]12
|
CSCC[C@](C)(C#N)NC(=O)c1ccc(Cl)s1
|
COC(=O)CC(C)(C)C(=O)N1C[C@H]2C[C@@]2(NC(=O)CCc2ccncn2)C1
|
CCN1C[C@H](CNC(=O)[C@@H]2COCCN(C(=O)C(C)(C)C3CC3)C2)CC1=O
|
C=C(C)Cn1nnnc1[C@H](NC1[C@H](C)[C@H]1C)c1cc2cccnc2s1
|
C#CC[C@H](C(=O)N[C@H](CO)[C@H](C)NC(=O)CC(C)(C)C1CCCCC1)C1CC1
|
CC[C@H](C)C(=O)N1CC([C@@H](C)NC(=O)[C@@H](c2ccccc2)N(C)C)C1
|
CCSCc1cn(Cc2ccc(C(=O)NNC(=O)[C@H](C)CC)o2)nn1
|
C[C@H](NC[C@@H]1C[C@H](CC(N)=O)CO1)c1cccc(-c2ccncc2)c1
|
C[C@H](CN=c1[nH]c2ccc(S(=O)(=O)N3CCC(O)CC3)cc2s1)c1nncn1C
|
Cn1ncc(NC(=O)[C@@H]2C[C@H]2NC(=O)Cc2cscn2)c1C#N
|
C[C@@H](CNC(=O)C1CC(OC2CC2)C1)[C@H](F)C(=O)N(Cc1ccco1)C1CC1
|
CN1CCC(C(=O)NC[C@H]2CCCN2C(=O)C2=C(Cl)CCC2)CC1
|
CCCCS[C@H](C)C(=O)NCCCCCN(C)C(=O)[C@H](C)[C@H](O)CCCC
|
CC[C@@H](CC(=O)NCC1(C(=O)NC[C@H]2CC(C)(C)CCO2)CC1)SC
|
O=C(CCc1cccc(O)n1)N1CCC[C@@H](C2CN(C(=O)c3ccc(Cl)o3)C2)C1
|
Cc1ccnc(C(=O)NC[C@@H]2CCC[C@H](CNC(=O)c3cncn3C)C2)c1
|
Cc1cc(=O)oc(C)c1C(=O)NC[C@H]1CCN(C(=O)c2ccc3cc[nH]c3c2)C1
|
CCOc1ccc(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)cc1OC
|
C[C@]1(F)C[C@H](C(=O)N[C@H]2CCCC[C@@H]2NC(=O)C[C@H]2CC=CCC2)C1
|
C#CCOCCN(C)C(=O)C#CCNC(=O)C(C)(C)COCC
|
CCC1=NO[C@H](C(=O)N2C[C@@H]3C[C@H](C2)CN3C(=O)CCCn2c(O)nnc2O)C1
|
O=C(N[C@H]1CC12CCN(C(=O)[C@@H]1C=CCC1)CC2)c1cc(Cl)c(Br)s1
|
CC(C)=C(F)C(=O)N1CCCC[C@@H](N(C)C(=O)CCCCCCCS(C)(=O)=O)C1
|
COc1cc2c(cc1Cl)CN(S(=O)(=O)c1ccc3c(c1)CC(Cl)(Cl)C3=O)CC2
|
C[C@]1(CNC(=O)C=CCF)CC[C@@H](NC(=O)c2cc(C3CCC3)on2)C1
|
CC1(C(=O)N[C@@H]2CCC[C@@H]2CNC(=O)C[C@@H]2CNC(=O)O2)CCCCCC1
|
COC[C@H](OC)C(=O)N[C@@H]1CN(c2nnc(C(F)F)o2)[C@H]2CCCC[C@H]12
|
C[C@@H](C[C@@H](C)NC(=O)c1ccnc(N(C)C)c1)NC(=O)COc1ccc(F)cc1
|
CC(C)c1nc(C(=O)N[C@H]2C[C@H](CCNC(=O)C3(CS(C)(=O)=O)CCC3)C2)co1
|
CC=CC(=O)N1CC[C@H]([C@@H]2CCCCN2C(=O)[C@H](C)OCC2CC2)C1
|
CCN(CCCNC(=O)C12CC(C1)S(=O)(=O)C2)C(=O)CC1(NC(C)=O)CC1
|
CC1(C)C[C@H](NC(=O)CCn2ccnc2)CN(C(=O)[C@@H]2CCn3nccc3C2)C1
|
C#CCN(OC)C(=O)[C@]1(C)CCN(C(=O)C[C@](C)(O)CCC)C1
|
CO[C@@H]1C[C@H](C)CN(C(=O)[C@H](C(C)C)[C@@H](C)NC(=O)[C@H](C)C2CCCCC2)C1
|
C#C[C@]1(O)CCCN(C(=O)C[C@H](CNC(=O)c2ccc(C#N)c(C)n2)OC)C1
|
C=C1CC[C@H]1C(=O)NC[C@@H](NC(=O)c1sccc1CC)C1CCCC1
|
Cc1ccc([C@@H](CNC(=O)CN2CC(C)(C)C2)NC(=O)c2nc(Cl)sc2C)cc1
|
CCCCCC[C@@H](C)NC(=O)C1(N(C(=O)[C@H](F)C(C)C)C2CC2)CCC1
|
CC(=Cc1ccncc1)C(=O)N1CCN(C(=O)[C@@H]2CC3CC2C3)CC[C@@H]1C
|
O=C(c1c[nH]c2ccccc12)[C@@H](c1ccccc1)N1CC2(CO)CC1(CF)C2
|
O=C(CC1(NC(=O)c2cc(O)c(O)c(O)c2)CCC1)Nc1ncc(F)cc1Cl
|
C=C[C@@H]1CC[C@H]1C(=O)N1CCCC[C@@H]1C1(NC(=O)c2ccnn2CCF)CC1
|
CCc1cc(C(=O)N[C@@H](CC(=O)N[C@@H](C)CN2CCCC2=O)C(F)F)no1
|
Cc1c(F)cccc1C(=O)N1CCN(C(=O)[C@H](C)Oc2ccccc2Cl)CC1
|
CO[C@]1(C(=O)NC2([C@H]3CCCCO3)CC2)CCN(C(=O)c2cc(C#N)cs2)C1
|
COC[C@@]1(C(=O)N2CCN(C(=O)CCCNS(C)(=O)=O)C[C@@](C)(F)C2)CCCO1
|
C[C@H](C(=O)N1CC[C@H]2CN(C(=O)c3ccnn3C(F)F)C[C@H]2C1)C1CCOCC1
|
CN(CC1CCN(C(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)CC1)C(=O)c1ccc(Cl)o1
|
CC[C@H](C)[C@@H](CC(=O)N(C)CC1CCOCC1)NC(=O)Cc1cn[nH]c1
|
CC(C)(CCNC(=O)C=C1CC1)NC(=O)[C@H]1C[C@H]2COC[C@H](C2)C1
|
COC[C@H](NC(=O)CCc1nc(=N)[nH][nH]1)C(=O)NCc1cnn(C)c1C
|
C=CC[C@H](CNC(=O)CC(=O)N(C)C)NC(=O)[C@H]1COc2ccc(Br)cc21
|
O=C(O)[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)c1cccc(Br)c1F
|
CC(C)SCC(=O)N1C[C@H]2CCC[C@@](NC(=O)C[C@H]3OCCCC3(C)C)(C2)C1
|
NC(=O)c1ccc(CNC(=O)[C@@H](O)CCCNC(=O)C[C@H]2CCC(=O)NC2)o1
|
Cc1cccn2nc(C(=O)N[C@H]3C[C@@H]3CNC(=O)c3cc(Cl)c(Cl)s3)cc12
|
Cc1cnc([C@@H](C(=O)Nc2ccccc2Cl)N2CC[C@H]3C[C@H]2C(=O)O3)cc1Br
|
C=Cn1nccc1C(=O)N[C@H](CC(=O)N1CCC(C)(F)CC1)C1CC1
|
CO[C@]1(C(=O)N2CCC[C@@H]2CN(C)C(=O)c2ccc(C(C)=O)nc2O)CCOC1
|
CCc1nc(C)n(C)c1C(=O)N1CC(CNC(=O)[C@](C)(F)CC)C1
|
C[C@@H]1CCNCC[C@H]1N(C(=O)c1ccns1)[C@H](c1ccccc1)c1nccn1C
|
C[C@H](C(=O)NC[C@@H]1CC(C(=O)N2CC[C@H](C3(C)CC3)C2)=NO1)n1cccc1
|
CCC[C@@H](O)CC(=O)NC12CCC(CNC(=O)c3cnsn3)(CC1)OC2
|
CC(C)C[C@H](CNC(=O)[C@H](C)c1cc[nH]n1)NC(=O)c1nn(C)cc1C(F)(F)F
|
C=CCO[C@@H](C)C(=O)NCCCN1CCCCCCC1
|
CSC[C@@]1(C)CCN(c2cc(NCCCOC3CC3)nc(C(C)C)n2)C1
|
C[C@@]1(C(=O)N2[C@H]3CC[C@@H]2C[C@@H](NC(=O)c2cc(Cl)ns2)C3)CC1(Cl)Cl
|
Cn1cc(C(=O)N2CCOC[C@H](NC(=O)[C@@H]3COCCO3)C2)c(-c2ccco2)n1
|
COC[C@H](C)CC(=O)N1CCOC[C@@H]1CCNC(=O)c1nc(C)sc1Br
|
O=C(NCC[C@@]1(O)CCN(C(=O)[C@@H]2CCC=CCCC2)C1)C1=CCC1
|
CC(C)c1ccc(C(=O)N(C)C[C@H]2CCCN2C(=O)c2c[nH]c(=S)cn2)cc1
|
C[C@@H](C[C@@H](C)NC(=O)C[C@H]1CC(C)(C)CN1C(=O)CCCC(=O)C1CC1)C(F)F
|
CCN(C(=O)CC(=O)NC)[C@@H]1CCN(C(=O)c2cc(C(C)(C)C)no2)C1
|
O=C(c1cccs1)N1CC[C@]2(CO[C@@H](CNC(=O)C34CCCC3CCC4)C2)C1
|
CO[C@@H](C(=O)NC[C@@H]1C[C@H]1NC(=O)CN1CCC(O)CC1)c1ccccc1F
|
COCc1cc(C(=O)N(C)C[C@@H]2CCCN2C(=O)[C@@H]2CN3CCN2CC3)n[nH]1
|
COc1ccc2[nH]c(=NC[C@@H](CC(C)C)NC(=O)c3ccc(F)c(Cl)n3)sc2c1
|
C[C@@H](C(=O)N1CCCC1)n1cc(CN(C)C(=O)CSc2n[nH]c(O)n2)nn1
|
COCCN1C[C@@H](C(=O)N2CC3(NC(=O)[C@@H]4C[C@@H]4C(F)F)CC2C3)CCC1=O
|
CC=C1CN(C(=O)[C@@H](C)CN(C)C(=O)[C@H](C)OCCN(C)C)C1
|
CCCCS(=O)(=O)CC(=O)N1CCN(C(=O)[C@@H](C)C(C)C)[C@@H](C2CCC2)C1
|
CO[C@H]1CCC[C@@H]1C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Cl)ncc1O
|
Cc1cc(Br)cc2c1CCN(C(=O)[C@@H]1CCCN1Cc1sccc1Br)C2
|
CC(=O)N[C@H](COC(C)C)C(=O)NCCCN(C)C(=O)CC1CCSCC1
|
C[C@](O)(CNC(=O)c1nnc(Cl)cc1N)CNC(=O)c1n[nH]cc1[N+](=O)[O-]
|
C#Cc1ccc(C(=O)N[C@H]2CCCN(C(=O)CCc3nc(C)no3)CC2)c(C)c1
|
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