smiles
stringlengths 6
131
|
|---|
CCOCCOCCNC(=O)CN(CCOC)C(=O)C1CCCC1
|
COc1ccc(NC(=O)C(=O)N2C[C@@H](C(C)C)CC[C@H]2C)c(OC)c1Br
|
C[C@@H]1CCC[C@@H](n2cc(C[C@@H]3COCCN3C(=O)C(C)(C)C(C)(C)C)nn2)C1
|
C[C@H](CNC(=O)c1cccc2nncn12)NC(=O)c1c(Cl)nc2cc(Cl)ccn12
|
N=c1ncn(CC(=O)N2CC[C@@]3(NC(=O)c4cccc(C(F)F)n4)C[C@@H]3C2)[nH]1
|
Cc1c(C(=O)N[C@@H](C)CN(C)C(=O)CCc2nccs2)[nH]c2cc(F)cc(F)c12
|
COCC(C)(C)CC(=O)N1C[C@@H](C(=O)N(C)[C@@H](C)C2CCC2)C(C)(C)C1
|
C[C@@H](CCC(=O)N[C@]1(CO)CCN(C(=O)Cc2cn[nH]c2)C1)c1ccccc1
|
COCC(C)(C)C(=O)N(C)CCOCCCN(C)C(=O)[C@@H]1CC[C@@H](C)S1
|
O=C(Cc1cncc(F)c1)N1CCO[C@]2(CCN(C(=O)c3ccnc(S)c3)C2)C1
|
CC(C)N(C)CC(=O)N1C[C@H]2CN(C(=O)[C@@]3(Cl)CC34CCC4)CC[C@H]2C1
|
O=C(NCc1cn(C2CN(C(=O)[C@@H]3C[C@H]3F)C2)nn1)c1cncc2sccc12
|
COc1cc(OC)c([C@H](C(=O)NC2CC2)N2CCCC[C@]23CCOC3)cn1
|
CC[C@](C)(CO)C(=O)N[C@@H]1CCN(C(=O)CCCc2sccc2C)C1
|
C=CC1(CC(=O)NC[C@H](C)CCO)CN(C(=O)C(C)(F)F)C1
|
Cc1nnc(CN(C)C(=O)[C@@H]2CN(C(=O)c3ccc(F)cc3F)C3(CCC3)C2)o1
|
Cc1ccc(C(=O)N2C[C@@H]3C[C@@H]3[C@H]2C(=O)N(C)C[C@@H](O)C(F)(F)F)cc1
|
O=C(CC1(O)CC1)N[C@@H]1COCCN(C(=O)CC2CCCCCC2)C1
|
O=C(CCCCC(F)F)N1C[C@H]2C[C@]2(CNC(=O)C(F)(F)CC2CC2)C1
|
CN1CCC[C@H]1C(=O)N1CCC[C@](C)(CNC(=O)c2ccc3c[nH]nc3c2)C1
|
C[C@@H](C(=O)N1CCC[C@@]2(CCN(C(=O)CC3CN(C)C3)C2)C1)c1cncc(F)c1
|
CC[C@@]1(CNC(=O)CCCN(C)C(=O)[C@H](C)n2ccnn2)CCCO1
|
CC(=O)[C@H](C)C[C@@H](C)C(=O)NCc1ccc(C(=O)N[C@@H](C)Cc2ncn(C)n2)o1
|
CN=c1ccc(C(=O)NC[C@@]2(C(=O)N(C)Cc3ncc[nH]3)CCCO2)c[nH]1
|
C=C[C@H](O)Cc1cn(C[C@H](F)CCNC(=O)CCCN2CCCC2)nn1
|
COC(=O)[C@H](CC1CCC(F)(F)CC1)NC(=O)c1scc(C)c1I
|
COC[C@]1(C(=O)NC[C@H](CNC(=O)c2ccc(Cl)cc2O)OC)CC1(F)F
|
COc1nn(C)cc1C(=O)N1C[C@@H]2CN(Cc3cc4ccc(Br)cc4[nH]3)C[C@H]2C1
|
Cc1ccc(C(=O)N[C@H]2CN(C(=O)[C@@H]3CCCN3C)C[C@H]2C)cc1Br
|
CCOCCS(=O)(=O)N1CC[C@H](O)[C@H](C(=O)N2CCn3cncc3C2)C1
|
CCNC(=O)CC(=O)N1C[C@@H](NC(=O)[C@H]2C[C@H](OC)C2)[C@H](c2ccc(F)cc2)C1
|
CC(=O)N(C)CC(=O)N1CCC([C@H]2C[C@@H](NC(=O)C3=CCOCC3)CCO2)CC1
|
Cc1coc(C)c1C=CC(=O)N1CC2(CCN(C(=O)C#CC3CC3)CC2)C[C@H]1C
|
C[C@H](O)CN(CCNC(=O)C12CCC(CC1)OC2)C(=O)CC12CCCN1CCC2
|
O=C(N[C@H]1CCC[C@H](CNC(=O)c2cccc3c2OCCCO3)C1)/C(Cl)=C/Cl
|
O=C(Cn1cnc2c1CCCC2)N[C@H](c1ccc2ccccc2c1)c1nn[nH]n1
|
CCC(CC)CC(=O)N[C@H]1CC[C@@H](NC(=O)[C@]2(C(F)(F)F)O[C@H]3CC[C@H]2C3)CC1
|
CC(=O)OC[C@H](C)C(=O)N[C@@H](CC1CCOCC1)C(=O)NC1(CC(N)=O)CC1
|
CC[C@@H](CC(=O)N[C@@H]1CCCC[C@@H]1NC(=O)c1ccc2ncc(=O)[nH]c2c1)SC
|
O=C(N[C@H]1CN(C(=O)c2cnc(C3CC3)s2)C[C@H]1CO)c1cc(CC2CC2)on1
|
C[C@H](NC(=O)C[C@H](C)C1CC1)c1ccc(CNC(=O)c2coc(CO)c2)cc1
|
CCc1cc(C(=O)N[C@](C)(CO)CC(F)(F)F)cn(C)c1=O
|
C#CCNC(=O)CC(=O)NCC1([C@@H](C)NC(=O)[C@H](SC)C(C)C)CC1
|
Cc1ccc2ncc(C(=O)N(CCNC(=O)c3cccc(C)c3N)C(C)C)n2c1
|
C=C1CCC(C(=O)N2C[C@@H](C(=O)N3CCC(C)(CO)CC3)CC(C)(C)C2)CC1
|
CN(C)[C@@H]1CCC[C@H]1NC(=O)[C@H]1CC=C[C@H](NC(=O)CCCC2CCCC2)C1
|
CC1=CCN(C(=O)C[C@@H]2CN(C(=O)c3cnnc(O)c3)CC[C@@H]2C)C1
|
COCCOCC(=O)N(C)[C@H](CC(F)F)C(=O)NCCCS(N)(=O)=O
|
COc1nc(O)cc(C(=O)N2CCC[C@@H]2CNC(=O)[C@H]2CCC[C@@H](C(N)=O)C2)n1
|
Cc1cccnc1CC(=O)N1CCC2(CCC2)[C@H](NC(=O)[C@H]2CC=CCO2)C1
|
CC[S@](=O)CC(=O)N1CC[C@@H]2CN(C(=O)c3ccc(S(=O)(=O)NC)cc3)C[C@@H]2C1
|
Cc1cc(C(=O)N2Cc3n[nH]cc3[C@@H]2C(=O)NC2CC(C3CCCC3)C2)ncn1
|
CCC[C@@H](C)C(=O)NCc1nc(O)cc(CNC(=O)[C@@H](C)Cn2ccc(C)n2)n1
|
COCC[C@H]1C[C@@H]1C(=O)NC1(CC(=O)N[C@@H](C)c2cn[nH]c2)CCCCC1
|
C=C1C[C@@H](C(=O)NCc2ccccc2F)N(C(=O)C(C)(C)CCl)C1
|
C[C@H](CCO)NC(=O)c1sccc1CNC(=O)COC[C@@H]1CCOC1
|
CNC(=O)Nc1cccc(C(=O)NC[C@H]2CNCC[C@@H]2C)c1
|
COc1cc(C)c(C(=O)N[C@H]2CC(F)(F)C[C@H]2NC(=O)[C@H]2CC2(C)C)cc1OC
|
Cc1ccc(NC(=O)C(=O)N[C@H]2CCCN(Cc3ncsc3Br)[C@H]2C)cc1
|
Cn1cc(C(=O)N2CC(C3CCN(C(=O)CC4OCCCO4)CC3)C2)c(Cl)n1
|
CO[C@H]1C[C@@H](CC(=O)NC(C)(C)[C@H](C)NC(=O)[C@@H]2Cc3ccccc3S2(=O)=O)C1
|
Cc1n[nH]cc1C(=O)N[C@@H]1COC[C@@H]1NC(=O)[C@]1(C)CC1(Cl)Cl
|
O=C(NC[C@H](O)C12CC3CC(CC(C3)C1)C2)[C@@H]1COc2cc(F)ccc21
|
CCCNC(=O)[C@H](c1sc(Br)cc1Cl)N1CCCC[C@H]1CN1CCC[C@@H](O)C1
|
COC(=O)C(C)(C)[C@@H](C)NC[C@H](C)Oc1ccccc1Br
|
CSCC[C@H](NC=O)C(=O)NC/C=C/CNC(=O)[C@@H]1CCn2c(cnc2C)C1
|
C#Cc1ccc(C(=O)N(C)C[C@H](C)N(C)C(=O)c2ccccc2COC)o1
|
C/C=C/CCCCC(=O)N[C@](C)(CO)CNC(=O)c1ccc(OC)cc1
|
Cc1ccc2cccc(C(=O)N[C@H]3C[C@@H](CNC(=O)c4cnccn4)C3)c2n1
|
C[C@H]1CCS[C@H]1C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)c1ccc(C#CC3CC3)cc1)C2
|
O=C(C=CCF)NC[C@]1(F)CCN(C(=O)c2cnn3cc[nH]c(=O)c23)C1
|
Cc1cc(C(=O)N[C@@]2(CO)CCCN(C(=O)[C@]3(C)CCC(=O)C3)C2)nn1C(F)F
|
CC[C@H](CC(=O)N1CCC(O)([C@@H](C)NC(=O)c2cn(CC)nn2)CC1)C1CCC1
|
CC(=O)N(C)[C@@H](C)C(=O)NC[C@H]1CC[C@@H](C(=O)NCC(C)(C)CN=[N+]=[N-])O1
|
COCc1nc(NCCCCCCC2CC2)cc(=NC[C@@H]2CCCC23CCC3)[nH]1
|
Cn1cc(Cl)c(C(=O)N[C@H]2CCOC23CCN(C(=O)c2cc(C#N)no2)CC3)n1
|
O=C(CCn1cc(CN2CCC[C@H]2CO)nn1)NN1CCC[C@H]1CO
|
C#Cc1ccc(C(=O)N[C@H]2CC[C@](C)(CNC(=O)C(F)(F)CCC=C)C2)c(C)c1
|
CN(CC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)c1cnc(S)n1C)C1CC1
|
CC(C)N(CCCNC(=O)[C@H]1CCCN1C1CC1)C(=O)[C@@H](F)c1ccccc1
|
C[C@@H](CCNC(=O)c1ccncc1F)NC(=O)C12C[C@@H]3CC(C[C@H](C3)C1)O2
|
Cc1c(C(=O)NC(C)(C)c2cn(CC[C@@H]3CC3(Cl)Cl)nn2)nnn1C(C)C
|
C[C@@H]1CN(C(=O)c2cc(C(N)=O)ccn2)C[C@@H]1NC(=O)c1csnc1Cl
|
CO[C@@H](CNS(=O)(=O)c1ccc(N2CC3(COC(C)(C)C3)C2)c(F)c1)C(C)C
|
CCC[C@@H](CCN=c1ccc(Br)c(S(=O)(=O)N2CCCC(C)(C)C2)[nH]1)C1CCC1
|
O=C(N[C@H]1C[C@@H]1C(=O)N1CCc2c(F)ccc(F)c2C1)c1cc(Cl)sc1Cl
|
O=C(C[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)c1ccccc1C1CC1)NC[C@H]1[C@@H]2COC[C@H]12
|
Cc1c(F)cc(NC(=O)c2n[nH]cc2NC(=O)c2ccc(Br)c(C)c2F)cc1Br
|
CC[C@H](COC)C(=O)N1C[C@@H]2CCN(C(=O)C#CC(C)C)[C@@H]2C1
|
COc1cccc(OCC(=O)NC[C@H]2C[C@@H](NC(=O)c3ncncc3F)C2)c1
|
CC(C)c1nc(NCCCOCCCO)cc(=NC[C@H]2CCOCC23CCC3)[nH]1
|
O=C(COC(F)(F)F)NC[C@H]1C[C@@H](NC(=O)[C@H](C2CC2)[C@@H]2CCCO2)C1
|
CC(C)C[C@H](O)CC(=O)NCc1nocc1C(=O)NC1(CO)CCOCC1
|
Cc1nc(CNC(=O)[C@@]2(NC(=O)[C@H]3CCN3C)CC2(C)C)[nH]c1C
|
C[C@@H]1CC(C(=O)NC2(C(=O)N3CC(c4ccccn4)C3)CC(F)(F)C2)C[C@@H](C)C1
|
CONC(=O)C(=O)NCc1cccc(NC(=O)[C@@H](F)C2CCC2)c1
|
CC(C)(C)C1=NO[C@H](C(=O)N[C@H]2CCCCNC2)C1
|
C[C@]1(NC(=O)c2ccc(Br)cc2CC#N)CCCOC1
|
CCN1C(=O)N[C@@H](c2sncc2C)C(C(=O)N2CCOCC2)=C1C
|
COc1ccc(C=CC(=O)N2CC[C@H](C)[C@@H](NC(=O)C(C)(C)N(C)C)C2)cc1F
|
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