232 SMILES Strings for Legumain

Compound Name
SMILES String
CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)COC(=O)c1c(C)cccc1C |r|
CC(=O)N1CCC[C@H]1C(=O)N[C@H](CCOC(=O)c1c(C)cccc1C)CC(O)=O |r|
CC(C)(C)c1ccc(cc1)-c1ccc(COC(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(N)=O)C#N)cc1 |r|
CC(C)(C)c1ccc(cc1)-c1ccc(cc1)S(=O)(=O)CC(C)(C)C(=O)N[C@@H](CC(N)=O)C#N |r|
CC(C)(C)c1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C#N |r|
CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C#N |r|
CC(C)(C)c1ccc(cn1)-c1ccc(cc1)S(=O)(=O)CC(C)(C)C(=O)N[C@@H](CC(N)=O)C#N |r|
CC(C)(C)c1cccc(c1)-c1ccc(COC(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(N)=O)C#N)cc1 |r|
CC(C)(CS(=O)(=O)c1ccc(cc1)-c1cc(F)cc(F)c1)C(=O)N[C@@H](CC(N)=O)C#N |r|
CC(C)(CS(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1)C(=O)N[C@@H](CC(N)=O)C#N |r|
CC(C)(CS(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1Cl)C(=O)N[C@@H](CC(N)=O)C#N |r|
CC(C)(CS(=O)(=O)c1ccc(cc1)-c1ccc(Cl)nc1)C(=O)N[C@@H](CC(N)=O)C#N |r|
CC(C)(CS(=O)(=O)c1ccc(cc1)-c1ccc(F)cc1)C(=O)N[C@@H](CC(N)=O)C#N |r|
CC(C)(CS(=O)(=O)c1ccc(cc1)-c1ccc(F)cc1F)C(=O)N[C@@H](CC(N)=O)C#N |r|
CC(C)(CS(=O)(=O)c1ccc(cc1)-c1ccc(F)nc1)C(=O)N[C@@H](CC(N)=O)C#N |r|
CC(C)(CS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C(=O)N[C@@H](CC(N)=O)C#N |r|
CC(C)(CS(=O)(=O)c1ccc(cc1)-c1ccc(nc1)C(F)(F)F)C(=O)N[C@@H](CC(N)=O)C#N |r|
CC(C)(CS(=O)(=O)c1ccc(cc1)-c1cccc(F)c1)C(=O)N[C@@H](CC(N)=O)C#N |r|
CC(C)(CS(=O)(=O)c1ccc(cc1)-c1cccc(F)c1F)C(=O)N[C@@H](CC(N)=O)C#N |r|
CC(C)(CS(=O)(=O)c1ccc(cc1)-c1ccccc1C(F)(F)F)C(=O)N[C@@H](CC(N)=O)C#N |r|
CC(C)(CS(=O)(=O)c1ccc(cc1)-c1ccccc1F)C(=O)N[C@@H](CC(N)=O)C#N |r|
CC(C)(CS(=O)(=O)c1ccc(cc1)-c1cncc(Cl)c1)C(=O)N[C@@H](CC(N)=O)C#N |r|
CC(C)(CS(=O)(=O)c1ccc(cc1)-c1cncc(F)c1)C(=O)N[C@@H](CC(N)=O)C#N |r|
CC(C)(CS(=O)(=O)c1ccc(cc1)-c1cncc(c1)C(F)(F)F)C(=O)N[C@@H](CC(N)=O)C#N |r|
CC(C)(CS(=O)(=O)c1ccccc1-c1ccc2ncsc2c1)C(=O)N[C@@H](CC(N)=O)C#N |r|
CC(C)CS(=O)(=O)N(Cc1ccc(cc1)-c1cccc(F)c1)[C@@H](C)C(=O)N[C@@H](CC(N)=O)C#N |r|
CC(C)CS(=O)(=O)N(Cc1ccc(cc1)-c1cccc(F)c1F)[C@@H](C)C(=O)N[C@@H](CC(N)=O)C#N |r|
CC(C)Cc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)CC(C)(C)C(=O)N[C@@H](CC(N)=O)C#N |r|
CC(C)Oc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C#N |r|
CC(C)Oc1cccc(c1)-c1ccc(CN([C@@H](C)C(=O)N[C@@H](CC(N)=O)C#N)S(C)(=O)=O)cc1 |r|
CC(C)Oc1cccc(c1)-c1ccc(CN([C@H](C)C(=O)N[C@@H](CC(N)=O)C#N)S(C)(=O)=O)cc1 |r|
CC(C)Oc1cccc(c1)-c1ccc(COC(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(N)=O)C#N)cc1 |r|
CC(C)[C@H](NC(=O)[C@@H](C)NC(=O)OCc1ccccc1)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N1CCCc2ccccc12 |r,w:30.30|
CC(C)[C@H](NC(=O)[C@@H](C)NC(=O)OCc1ccccc1)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)NCc1cccc2ccccc12 |r,w:30.30|
CC(C)c1ccc(cc1)-c1ccc(COC(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(N)=O)C#N)cc1 |r|
CC(C)c1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C#N |r|
CC(C)c1cccc(c1)-c1ccc(COC(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(N)=O)C#N)cc1 |r|
CC(N(Cc1ccc(Br)cc1)S(C)(=O)=O)C(=O)N[C@@H](CC(N)=O)C#N |r|
CC(N(Cc1ccc(cc1)-c1cccc(Cl)c1)S(C)(=O)=O)C(=O)N[C@@H](CC(N)=O)C#N |r|
CC=CC=CC(=O)N(CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1 |r,w:4.4,1.0|
CCCCN(CCCC)C(=O)C=CC(=O)N(CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1 |r,w:12.12|
CCCS(=O)(=O)N(Cc1ccc(cc1)-c1cccc(F)c1)[C@@H](C)C(=O)N[C@@H](CC(N)=O)C#N |r|
CCCS(=O)(=O)N(Cc1ccc(cc1)-c1cccc(F)c1F)[C@@H](C)C(=O)N[C@@H](CC(N)=O)C#N |r|
CCC[C@H](N(Cc1ccc(cc1)-c1cccc(F)c1)S(C)(=O)=O)C(=O)N[C@@H](CC(N)=O)C#N |r|
CCC[C@H](N(Cc1ccc(cc1)-c1cccc(F)c1F)S(C)(=O)=O)C(=O)N[C@@H](CC(N)=O)C#N |r|
CCN(CC)C(=O)C=CC(=O)N(CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1 |r,w:8.8|
CCOC(=O)C1CCN(CC1)c1cc(ccc1N)N1CCOCC1
CCOC(=O)C1CCN(CC1)c1ccc(N)c(c1)N1CCC(CC1)C(=O)OCC
CCOC(=O)C1OC1C(=O)N(CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)C1(CC1)NC(C)=O |r|
CCOC(=O)C1OC1C(=O)N(CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC#C)NC(C)=O |r|
CCOC(=O)C1OC1C(=O)N(CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC)NC(C)=O |r|
CCOC(=O)C=CC(=O)N(CC(N)=O)NC(=O)OC(C)(C)C |w:6.6|
CCOC(=O)C=CC(=O)N(CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](C)NC(=O)OCc1ccccc1)C(C)C |r,w:6.6|
CCOC(=O)C=CC(=O)N(CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](C)NC(=O)OCc1ccccc1)[C@@H](C)CC |r,w:6.6|
CCOC(=O)C=CC(=O)N(CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)N1CCCCC1 |r,w:6.6|
CCOC(=O)C=CC(=O)N(CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)N1CCN(CC1)C(=O)OC(C)(C)C |r,w:6.6|
CCOC(=O)C=CC(=O)N(CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)N1CCN(CC1)C(=O)OCc1ccccc1 |r,w:6.6|
CCOC(=O)C=CC(=O)N(CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)N1CCNCC1 |r,w:6.6|
CCOC(=O)C=CC(=O)N(CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)N1CCOCC1 |r,w:6.6|
CCOC(=O)C=CC(=O)N(CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1 |r,w:6.6|
CCOC(=O)[C@H]1O[C@@H]1C(=O)N(CC(N)=O)NC(=O)[C@@H]1CCCN1C(C)=O |r|
CCOC(=O)[C@H]1O[C@@H]1C(=O)N(CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)N1CCCCC1 |r|
CCOC(=O)\C=C\C(=O)N(CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)C(C)(C)NC(C)=O |r|
CCOC(=O)\C=C\C(=O)N(CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)C(\NC(C)=O)=C\C |r|
CCOC(=O)\C=C\C(=O)N(CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)C1(CC1)NC(C)=O |r|
CCOC(=O)\C=C\C(=O)N(CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1Cc2ccccc2CN1C(C)=O |r|
CCOC(=O)\C=C\C(=O)N(CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC#C)NC(C)=O |r|
CCOC(=O)\C=C\C(=O)N(CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC)NC(C)=O |r|
CCOC(=O)\C=C\C(=O)N(CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)c(c1)[N+]([O-])=O)NC(C)=O |r|
CCOC(=O)\C=C\C(=O)N(CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCCCN1C(C)=O |r|
CCOC(=O)\C=C\C(=O)N(CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CSCN1C(C)=O |r|
CCOC(=O)\C=C\C(=O)N(CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)c1ccc(CNC(C)=O)cc1 |r|
CCOC(=O)\C=C\C(=O)N(CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)c1cccc(NC(C)=O)c1 |r|
CCOC(=O)\C=C\C(=O)N(CC(N)=O)NC(=O)[C@@H]1CCCN1C(C)=O |r|
CCOC(=O)\C=C\OC(=O)N(CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1
CCOc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C#N |r|
CCOc1cccc(c1)-c1ccc(CN([C@@H](C)C(=O)N[C@@H](CC(N)=O)C#N)S(C)(=O)=O)cc1 |r|
CCOc1cccc(c1)-c1ccc(CN([C@H](C)C(=O)N[C@@H](CC(N)=O)C#N)S(C)(=O)=O)cc1 |r|
CCOc1cccc(c1)-c1ccc(COC(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(N)=O)C#N)cc1 |r|
CCS(=O)(=O)N(Cc1ccc(cc1)-c1cccc(F)c1)[C@@H](C)C(=O)N[C@@H](CC(N)=O)C#N |r|
CCS(=O)(=O)N(Cc1ccc(cc1)-c1cccc(F)c1F)[C@@H](C)C(=O)N[C@@H](CC(N)=O)C#N |r|
CC[C@H](N(Cc1ccc(cc1)-c1cccc(F)c1)S(C)(=O)=O)C(=O)N[C@@H](CC(N)=O)C#N |r|
CC[C@H](N(Cc1ccc(cc1)-c1cccc(F)c1F)S(C)(=O)=O)C(=O)N[C@@H](CC(N)=O)C#N |r|
CCc1ccc(cc1)-c1ccc(COC(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(N)=O)C#N)cc1 |r|
CCc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C#N |r|
CCn1c(=O)n(C)c2nc(S)n(C)c2c1=O
CN1CCN(CC1)c1ccc(cc1)-c1ccc(cc1)S(=O)(=O)CC(C)(C)C(=O)N[C@@H](CC(N)=O)C#N |r|
COc1ccc(CN(Cc2ccccc2)C(=O)C=CC(=O)N(CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OCc2ccccc2)cc1 |r,w:18.19|
COc1ccc(CNC(=O)C=CC(=O)N(CC(N)=O)NC(=O)[C@H](C)NC(=O)N2CCOCC2)cc1OC |r,w:11.11|
COc1ccc(cc1)-c1ccc(COC(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(N)=O)C#N)cc1 |r|
COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C#N |r|
COc1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C#N |r|
COc1cccc(c1)-c1ccc(CN([C@@H](C)C(=O)N[C@@H](CC(N)=O)C#N)S(C)(=O)=O)cc1 |r|
COc1cccc(c1)-c1ccc(CN([C@H](C)C(=O)N[C@@H](CC(N)=O)C#N)S(C)(=O)=O)cc1 |r|
COc1cccc(c1)-c1ccc(COC(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(N)=O)C#N)cc1 |r|
CS(=O)(=O)N(CC(=O)N[C@@H](CC(N)=O)C#N)Cc1ccc(cc1)-c1cccc(F)c1 |r|
CS(=O)(=O)N(CC(=O)N[C@@H](CC(N)=O)C#N)Cc1ccc(cc1)-c1cccc(F)c1F |r|
C[C@@H](N(Cc1ccc(cc1)-c1cc(F)cc(F)c1)S(C)(=O)=O)C(=O)N[C@@H](CC(N)=O)C#N |r|
C[C@@H](N(Cc1ccc(cc1)-c1ccc(F)c(F)c1)S(C)(=O)=O)C(=O)N[C@@H](CC(N)=O)C#N |r|
C[C@@H](N(Cc1ccc(cc1)-c1ccc(F)cc1)S(C)(=O)=O)C(=O)N[C@@H](CC(N)=O)C#N |r|
C[C@@H](N(Cc1ccc(cc1)-c1cccc(F)c1)S(C)(=O)=O)C(=O)N[C@@H](CC(N)=O)C#N |r|
C[C@@H](N(Cc1ccc(cc1)-c1cccc(F)c1F)S(C)(=O)=O)C(=O)N[C@@H](CC(N)=O)C#N |r|
C[C@@H](N(Cc1ccc(cc1)-c1cccc(c1)C(F)(F)F)S(C)(=O)=O)C(=O)N[C@@H](CC(N)=O)C#N |r|
C[C@@H](N(Cc1ccc(cc1)-c1ccccc1F)S(C)(=O)=O)C(=O)N[C@@H](CC(N)=O)C#N |r|
C[C@@H](NC(=O)N1CCN(CC1)C(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N(C)Cc1cccc2ccccc12 |r,w:33.33|
C[C@@H](NC(=O)N1CCN(CC1)C(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)OCc1ccccc1 |r,w:33.33|
C[C@@H](NC(=O)N1CCN(CC1)C(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)[C@H]1O[C@@H]1C(=O)N(Cc1ccccc1)Cc1ccccc1 |r|
C[C@@H](NC(=O)N1CCN(CC1)C(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N(C)Cc1cccc2ccccc12 |r,w:36.37|
C[C@@H](NC(=O)N1CCN(CC1)C(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N(Cc1cccc2ccccc12)Cc1cccc2ccccc12 |r,w:36.37|
C[C@@H](NC(=O)N1CCNCC1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N(C)Cc1cccc2ccccc12 |r,w:26.26|
C[C@@H](NC(=O)N1CCNCC1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N(Cc1ccccc1)Cc1ccccc1 |r,w:26.26|
C[C@@H](NC(=O)N1CCNCC1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)[C@H]1O[C@@H]1C(=O)N(Cc1ccccc1)Cc1ccccc1 |r|
C[C@@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N1CCc2ccccc2C1 |r,w:26.26|
C[C@@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)[C@H]1O[C@@H]1C(=O)N(Cc1ccccc1)Cc1ccccc1 |r|
C[C@@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)[C@H]1O[C@@H]1C(=O)NCc1cccc2ccccc12 |r|
C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N1CCCc2ccccc12)c1ccccc1 |r,w:27.27|
C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N1CCc2ccccc2C1)c1ccccc1 |r,w:27.27|
C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)NN(CC(N)=O)C(=O)C=CC(=O)NCc1ccco1)c1ccccc1 |r,w:27.27|
C[C@H](N(Cc1ccc(cc1)-c1cc(F)cc(F)c1)S(C)(=O)=O)C(=O)N[C@@H](CC(N)=O)C#N |r|
C[C@H](N(Cc1ccc(cc1)-c1ccc(F)c(F)c1)S(C)(=O)=O)C(=O)N[C@@H](CC(N)=O)C#N |r|
C[C@H](N(Cc1ccc(cc1)-c1ccc(F)cc1)S(C)(=O)=O)C(=O)N[C@@H](CC(N)=O)C#N |r|
C[C@H](N(Cc1ccc(cc1)-c1cccc(F)c1)S(=O)(=O)c1ccccc1)C(=O)N[C@@H](CC(N)=O)C#N |r|
C[C@H](N(Cc1ccc(cc1)-c1cccc(F)c1)S(C)(=O)=O)C(=O)N[C@@H](CC(N)=O)C#N |r|
C[C@H](N(Cc1ccc(cc1)-c1cccc(F)c1F)S(=O)(=O)c1ccccc1)C(=O)N[C@@H](CC(N)=O)C#N |r|
C[C@H](N(Cc1ccc(cc1)-c1cccc(F)c1F)S(C)(=O)=O)C(=O)N[C@@H](CC(N)=O)C#N |r|
C[C@H](N(Cc1ccc(cc1)-c1cccc(c1)C(F)(F)F)S(C)(=O)=O)C(=O)N[C@@H](CC(N)=O)C#N |r|
C[C@H](N(Cc1ccc(cc1)-c1ccccc1F)S(C)(=O)=O)C(=O)N[C@@H](CC(N)=O)C#N |r|
C[C@H](NC(=O)N1CCCCC1)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N1CCc2ccccc2C1 |r,w:21.21|
C[C@H](NC(=O)N1CCN(CC1)C(=O)OCc1ccccc1)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N1CCCc2ccccc12 |r,w:31.32|
C[C@H](NC(=O)N1CCN(CC1)C(=O)OCc1ccccc1)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N1CCc2ccccc2C1 |r,w:31.32|
C[C@H](NC(=O)N1CCOCC1)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N1CCc2ccccc2C1 |r,w:21.21|
C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N(C)C(Cc1ccccc1)C(=O)N(C)CCc1ccccc1 |r,w:28.28|
C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N(C)CCc1ccccc1 |r,w:28.28|
C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N(C)Cc1cccc2ccccc12 |r,w:28.28|
C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N(C)Cc1ccccc1 |r,w:28.28|
C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N(C)c1ccccc1 |r,w:28.28|
C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N(Cc1ccccc1)Cc1ccc(F)cc1 |r,w:28.28|
C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N(Cc1ccccc1)Cc1ccc2ccccc2c1 |r,w:28.28|
C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N(Cc1ccccc1)Cc1cccc2ccccc12 |r,w:28.28|
C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N(Cc1ccccc1)Cc1ccccc1 |r,w:28.28|
C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N(Cc1ccccc1)c1ccccc1 |r,w:28.28|
C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N(Cc1ccco1)Cc1ccco1 |r,w:28.28|
C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N1CCC(=CC1)c1ccccc1 |r,w:28.28,c:36|
C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N1CCCCC1 |r,w:28.28|
C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N1CCCc2ccccc12 |r,w:28.28|
C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N1CCc2ccccc12 |r,w:28.28|
C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N1CCc2ccccc2C1 |r,w:28.28|
C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N1Cc2ccccc2C1 |r,w:28.28|
C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)NCCc1ccccc1 |r,w:28.28|
C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)NCc1ccc(F)cc1 |r,w:28.28|
C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)NCc1ccccc1 |r,w:28.28|
C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)Nc1ccccc1 |r,w:28.28|
C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)OCc1ccccc1 |r,w:28.28|
C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)c1ccccc1 |r,w:28.28|
C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=Cc1cccnc1 |r,w:28.28|
C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=Cc1ccco1 |r,w:28.28|
C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)O\C=C\C(=O)N(C)Cc1ccccc1
C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)O\C=C\C(=O)NCc1ccccc1
C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)O\C=C\C(=O)OCc1ccccc1
C[C@H](NC(=O)[C@@H](C)NC(=O)N1CCCCC1)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)NCCc1ccccc1 |r,w:26.26|
C[C@H](NC(=O)[C@@H](C)NC(=O)N1CCCCC1)C(=O)NN(CC(N)=O)C(=O)[C@H]1O[C@@H]1C(=O)N(Cc1ccccc1)Cc1ccccc1 |r|
C[C@H](NC(=O)[C@@H](C)NC(=O)N1CCCCC1)C(=O)NN(CC(N)=O)C(=O)[C@H]1O[C@@H]1C(=O)NCc1cccc2ccccc12 |r|
C[C@H](NC(=O)[C@@H](C)NC(=O)N1CCN(CC1)C(=O)OC(C)(C)C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N(Cc1cccc2ccccc12)Cc1cccc2ccccc12 |r,w:33.33|
C[C@H](NC(=O)[C@@H](C)NC(=O)N1CCN(CC1)C(=O)OC(C)(C)C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N(Cc1ccccc1)Cc1ccccc1 |r,w:33.33|
C[C@H](NC(=O)[C@@H](C)NC(=O)N1CCNCC1)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N(Cc1cccc2ccccc12)Cc1cccc2ccccc12 |r,w:26.26|
C[C@H](NC(=O)[C@@H](C)NC(=O)N1CCNCC1)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)OCc1ccccc1 |r,w:26.26|
C[C@H](NC(=O)[C@@H](C)NC(=O)N1CCOCC1)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N(Cc1cccc2ccccc12)Cc1cccc2ccccc12 |r,w:26.26|
C[C@H](NC(=O)[C@@H](C)NC(=O)N1CCOCC1)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)OCCCc1ccccc1 |r,w:26.26|
C[C@H](NC(=O)[C@H](C)NC(=O)N1CCCCC1)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N(Cc1cccc2ccccc12)C(=O)c1ccccc1 |r,w:26.26|
C[C@H](NC(=O)[C@H](C)NC(=O)N1CCCCC1)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N(Cc1cccc2ccccc12)Cc1cccc2ccccc12 |r,w:26.26|
C[C@H](NC(=O)[C@H](C)NC(=O)N1CCCCC1)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N(Cc1ccccc1)Cc1ccccc1 |r,w:26.26|
Cc1ccc(cc1)-c1ccc(COC(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(N)=O)C#N)cc1 |r|
Cc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C#N |r|
Cc1ccc(cn1)-c1ccc(cc1)S(=O)(=O)CC(C)(C)C(=O)N[C@@H](CC(N)=O)C#N |r|
Cc1cccc(c1)-c1ccc(COC(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(N)=O)C#N)cc1 |r|
Cc1cncc(c1)-c1ccc(cc1)S(=O)(=O)CC(C)(C)C(=O)N[C@@H](CC(N)=O)C#N |r|
Cn1c(S)nc2n(C)c(=O)n(C)c(=O)c12
Cn1c(S)nc2n(C)c(=O)n(Cc3ccccc3)c(=O)c12
Cn1c2nc(S)n(CC(O)COc3ccc(Cl)cc3)c2c(=O)[nH]c1=O
Cn1cc2cc(ccc2n1)-c1ccc(cc1)S(=O)(=O)CC(C)(C)C(=O)N[C@@H](CC(N)=O)C#N |r|
Cn1ccc2cc(ccc12)-c1ccc(cc1)S(=O)(=O)CC(C)(C)C(=O)N[C@@H](CC(N)=O)C#N |r|
Cn1ncc2cc(ccc12)-c1ccc(cc1)S(=O)(=O)CC(C)(C)C(=O)N[C@@H](CC(N)=O)C#N |r|
Cn1ncc2cccc(-c3ccc(cc3)S(=O)(=O)CC(C)(C)C(=O)N[C@@H](CC(N)=O)C#N)c12 |r|
NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccc(Br)cc1)C#N |r|
NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccc(cc1)-c1cc(F)cc(F)c1)C#N |r|
NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccc(cc1)-c1ccc(Cl)cc1)C#N |r|
NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccc(cc1)-c1ccc(Cl)nc1)C#N |r|
NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccc(cc1)-c1ccc(F)c(F)c1)C#N |r|
NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccc(cc1)-c1ccc(F)cc1)C#N |r|
NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccc(cc1)-c1ccc(F)cc1F)C#N |r|
NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C#N |r|
NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccc(cc1)-c1cccc(Cl)c1)C#N |r|
NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccc(cc1)-c1cccc(F)c1)C#N |r|
NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccc(cc1)-c1cccc(F)c1F)C#N |r|
NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccc(cc1)-c1cccc(c1)C(F)(F)F)C#N |r|
NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccc(cc1)-c1ccccc1)C#N |r|
NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccc(cc1)-c1ccccc1C(F)(F)F)C#N |r|
NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccc(cc1)-c1cncc(Cl)c1)C#N |r|
NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1cccc(Br)c1)C#N |r|
NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1cccc(c1)-c1ccccc1)C#N |r|
NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1)C#N |r|
NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1Br)C#N |r|
NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1)C#N |r|
NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1)C#N |r|
NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1)C#N |r|
NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1Cl)C#N |r|
NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1)C#N |r|
NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(c(Cl)c1)-c1ccc(Cl)cc1)C#N |r|
NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(c(F)c1)-c1ccc(F)cc1)C#N |r|
NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1)C#N |r|
NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(cc1)-c1ccc(F)cc1)C#N |r|
NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(cc1)-c1ccc(OC(F)(F)F)cc1)C#N |r|
NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(cc1)-c1ccc(cc1)C#N)C#N |r|
NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C#N |r|
NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(cc1)-c1ccc2OCOc2c1)C#N |r|
NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(cc1)-c1cccc(F)c1)C#N |r|
NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(cc1)-c1cccc(c1)C(F)(F)F)C#N |r|
NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(cc1)-c1ccccc1)C#N |r|
NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(cc1)-c1ccccc1Cl)C#N |r|
NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(cc1)C(F)(F)F)C#N |r|
NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(cc1Cl)-c1ccc(Cl)cc1)C#N |r|
NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(cc1F)-c1ccc(F)cc1)C#N |r|
Nc1ccc(cc1Cl)N1CCOCC1
Nc1ccc(cc1Cl)N1CCSCC1
Nc1ccc(cc1N1CCC2(CC1)OCCO2)N1CCOCC1
Nc1ccc(cc1N1CCCC1)N1CCOCC1
Nc1ccc(cc1N1CCC[C@H]1CO)N1CCOCC1 |r|
Nc1ccc(cc1N1CCOCC1)N1CCOCC1
Nc1ccc(cc1N1CCSCC1)N1CCOCC1
Nc1ccc(cc1N1CCSCC1)N1CCSCC1
[#6]-[#6]-[#8]-[#6](=O)\[#6]=[#6]\[#6](=O)-[#7](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6](\[#7]-[#6](-[#6])=O)=[#6](\[#6])-[#6] |r|
[H][C@]12CS[C@@H](CCCCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)OCC)[C@@]1([H])NC(=O)N2 |r,w:29.28|