612 SMILES Strings for Trypsin

Compound Name
SMILES String
[O-][N+](=O)c1cccc(c1)N1C(=O)C=CC1=O |c:13|
Cc1ccc(OCc2nnc(NC(=O)Nc3cccc(Cl)c3)s2)cc1C
Brc1cccc(c1)N1C(=O)NC(=O)\C(=C/c2c[nH]c3ccccc23)C1=O
Cc1cccc(c1)C1Nc2cccc3cccc(N1)c23
[O-][N+](=O)c1ccc(cc1)C1Nc2c(cccc2C(F)(F)F)C2C=CCC12 |c:24|
[O-][N+](=O)c1cccc(c1)C1Nc2ccc(Cl)cc2C2C=CCC12 |c:21|
Fc1cccc(c1)-c1nc2ccc(Cc3ccc4nc(oc(=O)c4c3)-c3cccc(F)c3)cc2c(=O)o1
Clc1ccc(NC(=O)Nc2nnc(s2)-c2ccc(Br)cc2)cc1Cl
Cc1csc(n1)-c1cc2ccc(OCc3c(F)c(F)c(F)c(F)c3F)cc2oc1=O
CC1(C)Cc2oc3c(Br)cc(NS(=O)(=O)c4ccccc4)cc3c2C(=O)C1
COc1cccc(OCCOc2cccc(\C=c3/sc4nc5ccccc5n4c3=O)c2)c1
Oc1cc(NC(=O)c2ccc(o2)-c2cccc(c2)[N+]([O-])=O)ccc1-c1nc2ccccc2o1
Cc1cccc(CN2CCN(CC2)C(c2ccccc2)c2ccc(Cl)cc2)c1
CC(C)(Sc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)Sc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C
Oc1cccc2Cc3cccc(O)c3C(=O)c12
CN[C@H](CC(O)=O)C(O)=O |r|
[H][C@@]12CC[C@@H](O)N([C@@H]([C@H](C)CC)C(=O)N(C)[C@@H](Cc3ccc(OC)c(Br)c3)C(=O)N[C@@H]([C@@H](C)CC)C(=O)O[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](COS(O)(=O)=O)OC)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N1)C2=O |r|
[H][C@@]12CC[C@@H](O)N([C@@H]([C@H](C)CC)C(=O)N(C)[C@@H](Cc3ccc(OC)c(Br)c3)C(=O)N[C@@H]([C@@H](C)CC)C(=O)O[C@H](C)[C@H](NC(=O)[C@H](NC(=O)[C@H](O)COS(O)(=O)=O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N1)C2=O |r|
[H][C@@]12CC[C@@H](O)N([C@@H]([C@H](C)CC)C(=O)N(C)[C@@H](Cc3ccc(OC)c(Br)c3)C(=O)N[C@@H]([C@@H](C)CC)C(=O)O[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](COS(O)(=O)=O)OC)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N1)C2=O |r|
[H][C@@]12CC[C@@H](O)N([C@@H]([C@H](C)CC)C(=O)N(C)[C@@H](Cc3ccc(OC)c(Br)c3)C(=O)N[C@@H]([C@@H](C)CC)C(=O)O[C@H](C)[C@H](NC(=O)[C@H](NC(=O)[C@@H](COS(O)(=O)=O)OC)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C2=O |r|
[H][C@@]12CC[C@@H](O)N([C@@H]([C@H](C)CC)C(=O)N(C)[C@@H](Cc3ccc(OC)c(Br)c3)C(=O)N[C@@H]([C@@H](C)CC)C(=O)O[C@H](C)[C@H](NC(=O)[C@H](NC(=O)[C@@H](COS(O)(=O)=O)OC)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N1)C2=O |r|
CN(C)/N=C\1/CN(C(=O)[C@@H](CN1)Cc2cc(ccc2OC)Cl)CC(=O)Nc3cccc(c3)C(=O)O
CN(C)/N=C\1/CN(C(=O)[C@@H](CN1)Cc2cc(ccc2OC)Cl)CC(=O)Nc3cccc(c3)S(=O)(=O)C
Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1cc2cc[nH]c2cn1
CC1=CN=C(C(=O)N1CC(=O)NCc2c(cccn2)F)NCC(c3ccccn3)(F)F
Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cccc(c1)C(N)=N
Cc1nc(N)ccc1CNC(=O)Cn1c(C)ccc(NS(=O)(=O)Cc2ccccc2)c1=O
Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc2[nH]ccc2c1
Cc1cnc(NCCc2ccccn2)c(=O)n1CC(=O)NCc1cc2cc[nH]c2cn1
Cc1cnc(NCC(F)(F)c2ccccn2)c(=O)n1CC(=O)NCc1ccc(N)nc1C
Cc1nc(N)ccc1CNC(=O)Cn1c(C)cnc(NCCc2ccccc2)c1=O
Fc1cccnc1CNC(=O)Cn1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1=O
Cc1cnc(NCCc2ccccn2)c(=O)n1CC(=O)NCc1ccc2[nH]ccc2c1
Fc1cccnc1CNC(=O)Cn1c(cnc(NCC(F)(F)c2ccccn2)c1=O)C#N
[H]/N=C(/c1ccc(cc1)C[C@H](C(=O)N2CCCCC2)NC(=O)CNS(=O)(=O)c3ccc4ccccc4c3)\N
[#6]C([#6])([#6])[#7]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#7]-1-[#6@@H](-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]-1=O)-[#6](-[#8])=O
NC(=N)NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1
NC(=N)NC(=O)c1nc(-c2cc3ccccc3o2)c(nc1N)N1CCCCCC1
Cc1nn(c(C)c1NC(=O)COC(=O)Cc1c(C)[nH]c2ncccc12)-c1ccccc1
Cc1csc(=O)n1CC(=O)OCC(=O)Nc1c(C)nn(c1C)-c1ccccc1
Cc1cc2ccccc2n1CC(=O)OCC(=O)Nc1c(C)nn(c1C)-c1ccccc1
Cc1nn(c(C)c1NC(=O)COC(=O)Cn1cnc2ccccc2c1=O)-c1ccccc1
NCc1ccc(NC(=O)c2c([O-])ccc[n+]2Cc2nccn2Cc2ccccc2)cc1
Cc1nn(c(C)c1NC(=O)COC(=O)Cc1c(C)n(C)c2ccccc12)-c1ccccc1
CC(C)c1[nH]c2ccccc2c1CC(=O)OCC(=O)Nc1c(C)nn(c1C)-c1ccccc1
Cc1nn(c(C)c1NC(=O)COC(=O)Cc1c(C)[nH]c2ccc(Cl)cc12)-c1ccccc1
Cc1nn(c(C)c1NC(=O)COC(=O)Cc1c(C)[nH]c2cnccc12)-c1ccccc1
Cc1nn(c(C)c1NC(=O)COC(=O)CCc1c(C)[nH]c2ccccc12)-c1ccccc1
Cc1nn(c(C)c1NC(=O)CCOC(=O)Cc1c(C)[nH]c2ccccc12)-c1ccccc1
Cc1nn(c(C)c1NC(=O)COC(=O)C(c1c(C)[nH]c2ccccc12)C(F)(F)F)-c1ccccc1
Cc1nn(c(C)c1NC(=O)C(NC(=O)Cc1c(C)[nH]c2ccccc12)C(F)(F)F)-c1ccccc1
Cc1[nH]c2ccccc2c1CC(=O)OCC(=O)Nc1ccc(cc1)N1CCOCC1
Cc1[nH]c2ccccc2c1CC(=O)OCC(=O)Nc1cncnc1
Cc1nn(cc1NC(=O)CNC(=O)Cc1c(C)[nH]c2ccccc12)-c1ccccc1
Cc1nn(C)c(C)c1NC(=O)CNC(=O)Cc1c(C)[nH]c2cccnc12
Cc1nn(c(C)c1NC(=O)COC(=O)Cc1c(C)[nH]c2ccc(cc12)C(N)=N)-c1ccccc1
Cc1nn(c(C)c1NC(=O)CNC(=O)Cc1c(C)[nH]c2cc(ccc12)C(N)=N)-c1ccccc1
Cc1nn(c(C)c1NC(=O)COC(=O)Cc1c(C)[nH]c2cccc(C#C)c12)-c1ccccc1
Cc1nn(c(C)c1NC(=O)COC(=O)Cc1c(C)[nH]c2ccc(cc12)C#C)-c1ccccc1
Cc1nn(c(C)c1NC(=O)C(OC(=O)Cc1c(C)[nH]c2ccccc12)C(F)(F)F)-c1ccccc1
Cc1nn(c(C)c1NC(=O)COC(=O)Cn1c2ccccc2oc1=O)-c1ccccc1
Cc1nn(c(C)c1NC(=O)COC(=O)c1c(C)[nH]c2ccccc12)-c1ccccc1
Cc1[nH]c2cccnc2c1CC(=O)NCC(=O)Nc1onc(c1C)-c1ccccc1
Cc1nn(c(C)c1NC(=O)COC(=O)Cc1c(C)[nH]c2cccc(Cl)c12)-c1ccccc1
Cc1nn(c(C)c1NC(=O)COC(=O)C(C)(C)c1c(C)[nH]c2ccccc12)-c1ccccc1
Cc1nn(c(C)c1NC(=O)COC(=O)Cc1c([nH]c2ccccc12)C#C)-c1ccccc1
Cc1nn(c(C)c1NC(=O)COC(=O)Cn1c(C)nc2ccccc12)-c1ccccc1
CC(C(=O)OCC(=O)Nc1c(C)nn(c1C)-c1ccccc1)c1c(C)[nH]c2ccccc12
Cc1[nH]c2ccccc2c1CC(=O)NCC(=O)Nc1cnn(c1C)-c1ccccc1
Cc1nn(c(C)c1NC(=O)COC(=O)Cc1c(C)[nH]c2cc(ccc12)C#C)-c1ccccc1
Cc1nn(c(C)c1NC(=O)COC(=O)Cc1c(C)[nH]c2cccnc12)-c1ccccc1
CN(C(=O)CNC(=O)Cc1c(C)[nH]c2cccnc12)c1c(C)nn(c1C)-c1ccccc1
Cc1nn(c(C)c1NC(=O)COC(=O)Cc1ccccc1)-c1ccccc1
Cc1nn(c(C)c1NC(=O)COC(=O)Cc1c[nH]c2ccccc12)-c1ccccc1
Cc1nn(c(C)c1NC(=O)COC(=O)Cc1c(C)[nH]c2ccncc12)-c1ccccc1
CC(C(=O)OC(C(=O)Nc1c(C)nn(c1C)-c1ccccc1)C(F)(F)F)c1c(C)[nH]c2ccccc12
Cc1[nH]c2ccccc2c1CC(=O)NCC(=O)Nc1cnn(c1)-c1ccccc1
Cc1nn(c(C)c1NC(=O)COC(=O)Cc1c(C)[nH]c2cc(ccc12)C(N)=N)-c1ccccc1
Cc1nn(c(C)c1NC(=O)COC(=O)Cc1c(C)[nH]c2ccccc12)-c1ccccc1
COC(=O)Nc1ccc(cc1)-c1cc([C@H](Cc2ccccc2)NC(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)c(Cl)nn1 |r|
COC(=O)Nc1ccc(cc1)-c1cc(nnc1C)[C@H](Cc1ccccc1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r|
COC(=O)Nc1ccc(cc1)-c1cnnc(c1)[C@H](Cc1ccccc1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r|
COC(=O)Nc1ccc(cc1)-c1cc(nnc1Cl)[C@H](Cc1ccccc1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r|
COc1ccc(Cl)cc1C[C@@H]1CN\C(CN(CC(=O)Nc2cccc(c2)-c2cnn(C)c2)C1=O)=N/N(C)C |r|
COc1ccc(Cl)cc1C[C@@H]1CN\C(CN([C@@H](C)C(=O)Nc2cccc(c2)-c2cnn(C)c2)C1=O)=N/N(C)C |r|
CCC[C@H](N1C\C(NC[C@@H](Cc2cc(Cl)ccc2OC)C1=O)=N\N(C)C)C(=O)Nc1cccc(c1)-c1cnn(C)c1 |r|
[H]/N=C(c1ccc(cc1)NCc2nc3cc(ccc3n2C)C(=O)N(CCC(=O)O)c4ccccn4)/N
[H][C@]12C[C@H](N(C(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](O)Cc3ccc(O)cc3)[C@@]1([H])C[C@H](O)CC2)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
[H][C@]12C[C@H](N(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)[C@H](O)Cc3ccc(O)cc3)[C@@]1([H])C[C@H](O)CC2)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
[H][C@]12C[C@H](N(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)[C@H](O)Cc3ccc(O)cc3)[C@@]1([H])C[C@H](O)CC2)C(=O)NCCCCNC(N)=N
[H][C@]12C[C@H](N(C(=O)[C@@H](CC(C)C)NC(=O)[C@H](O)Cc3ccc(O)cc3)[C@@]1([H])C[C@H](O)CC2)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
[H][C@]12C[C@H](N(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)[C@H](O)Cc3ccc(O)cc3)[C@@]1([H])C[C@H](O)CC2)C(=O)N[C@H](CO)CCCNC(N)=N
c1ccc(cc1)C2=CC(=O)c3c(cc(c(c3O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O2
COc1c(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)cc(O)c2c1oc(cc2=O)-c1ccccc1 |r|
COc1c(O)cc2oc(cc(=O)c2c1O)-c1ccccc1
COc1c(O)ccc(O)c1-c1cc(=O)c2c(O)cc(O)c(OC)c2o1
COc1cccc(O)c1-c1cc(=O)c2c(O)c(OC)c(OC)c(OC)c2o1
Oc1cc(O)c2C(=O)C[C@H](Oc2c1)c1c(O)cccc1O |r|
O[C@@H]1[C@H](Oc2cc(O)cc(O)c2C1=O)c1c(O)cccc1O |r|
COc1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1
c1ccc(cc1)C2=CC(=O)c3c(cc(c(c3O)O)O)O2
[H][C@]12CC[C@](C)(O)[C@@]1([H])[C@H](O[C@]1([H])O[C@H](COC(=O)\C=C\c3ccccc3)[C@@H](O)[C@H](O)[C@H]1O)OC=C2C(O)=O |r,c:37|
[H][C@]12CC[C@](C)(O[C@@H]3O[C@H](COC(=O)\C=C\c4ccccc4)[C@@H](O)[C@H](O)[C@H]3O)[C@@]1([H])[C@H](O[C@]1([H])O[C@H](COC(=O)\C=C\c3ccccc3)[C@@H](O)[C@H](O)[C@H]1O)OC=C2C(O)=O |r,c:60|
[H][C@]12CC[C@](C)(OC(=O)\C=C\c3ccccc3)[C@@]1([H])[C@H](O[C@]1([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OC=C2C(O)=O |r,c:37|
C\C(CC\C=C(/C)C(=O)OC\C=C(/C)CC\C=C(/C)C(O)=O)=C/CO
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(Oc4cc(cc(c4C3=O)O)O)c5ccc(c(c5)O)O)O)O)O)O)O)O
c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O
c1ccc(cc1)CS(=O)(=O)F
[H][C@@]12C[C@@H](N(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)[C@@H](O)Cc3ccc(O)cc3)[C@]1([H])C[C@@H](CC2)OC(C)=O)C(N)=O |r|
[H][C@]12C[C@H](N(C(=O)[C@@H](CC(C)C)NC(=O)[C@H](O)Cc3ccc(O)c(Br)c3)[C@@]1([H])C[C@H](O)CC2)C(=O)NCCCCNC(N)=N |r|
[H][C@]12C[C@H](N(C(=O)[C@@H](CC(C)C)NC(=O)[C@H](O)Cc3ccc(O)c(Cl)c3)[C@@]1([H])C[C@H](O)CC2)C(=O)NCCCCNC(N)=N |r|
[H][C@]12C[C@H](N(C(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](O)Cc3ccc(O)cc3)[C@@]1([H])C[C@H](O)CC2)C(=O)NCCCCNC(N)=N |r|
[H][C@]12C[C@H](N(C(=O)[C@H](NC(=O)[C@@H](O)Cc3ccc(O)c(Cl)c3)[C@@H](C)CC)[C@@]1([H])C[C@H](O)CC2)C(=O)NCCCCNC(N)=N |r|
CCCCCCCCC(CC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCCCCCC
[H][C@]12C[C@H](N(C(=O)[C@@H](CC(C)C)NC(=O)[C@H](O)Cc3cc(Cl)c(O)c(Cl)c3)[C@@]1([H])C[C@@H](CC2)OS(O)(=O)=O)C(=O)NCCCCNC(N)=N |r|
[H][C@]12C[C@H](N(C(=O)[C@@H](CC(C)C)NC(=O)[C@H](O)Cc3ccc(O)c(Cl)c3)[C@@]1([H])C[C@@H](CC2)OS(O)(=O)=O)C(=O)NCCCCNC(N)=N |r|
[H][C@]12C[C@H](N(C(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](O)Cc3ccc(O)c(Cl)c3)[C@@]1([H])C[C@H](O)CC2)C(=O)NCCCCNC(N)=N |r|
[H][C@]12C[C@H](N(C(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](O)Cc3ccc(O)c(Cl)c3)[C@@]1([H])C[C@H](O)CC2)C(=O)NCCCCNC(N)=N |r|
CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)C(CC)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N2 |r|
CCCC1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]3CCCN3C(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CO)NC1=O)[C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N2 |r|
CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)C(CC)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N2 |r|
[H][C@@]12CC[C@@]3(C)C[C@@]1(C\C3=N/OCC1(C)COC1)CC[C@]1([H])[C@@](C)(CCC[C@@]21C)C(=O)OCC |r,THB:10:9:3.2.1:6|
[H][C@@]12CC[C@@]3(C)C[C@@]1(C\C3=N/OCc1ccsc1)CC[C@]1([H])[C@@](C)(CCC[C@@]21C)C(=O)OCC |r,THB:10:9:1.2.3:6|
CCCCCCCCCCC\C(O)=C1\C(=O)[C@H](Cc2ccccc2)N(C(=O)OC(C)(C)C)C1=O |r|
CCCCCCCCCCCCC\C(O)=C1\C(=O)[C@H](Cc2ccccc2)N(C(=O)OC(C)(C)C)C1=O |r|
CCCCCCCC\C=C/CCCCCCC\C(O)=C1\C(=O)[C@H](Cc2ccccc2)N(C(=O)OC(C)(C)C)C1=O |r|
CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H]4CCCN4C(=O)[C@@H]4CSSC[C@H](NC(=O)[C@H](Cc5ccc(O)cc5)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N4)NC(=O)[C@@H](NC3=O)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N2 |r|
CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H]4CCCN4C(=O)[C@@H]4CSSC[C@H](NC(=O)[C@H](Cc5ccc(O)cc5)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N4)NC(=O)[C@@H](NC3=O)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N2 |r|
CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H]4CCCN4C(=O)[C@@H]4CSSC[C@H](NC(=O)[C@H](Cc5ccc(O)cc5)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N4)NC(=O)[C@@H](NC3=O)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N2 |r|
NC(=N)Nc1ccc(cc1)C(=O)Nc1cccc(NC(N)=N)c1
[H]/N=C(\N)/Nc1ccc(cc1)C(=O)Oc2ccc(cc2)N/C(=N\[H])/N
NC(=N)NCCCOC(=O)c1ccc(NC(N)=N)cc1
NC(=N)NCCCCOC(=O)c1ccc(NC(N)=N)cc1
NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc(N)cc1
[#6]-[#7](-[#6])-[#6](=O)-[#6]-[#8]-[#6](=O)-[#6]-c1ccc(-[#8]-[#6](=O)-c2ccc(cc2)\[#7]=[#6](\[#7])-[#7])cc1
NCc1ccc(OC(=O)c2ccc(NC(N)=N)cc2)cc1
NC(=N)Nc1ccc(OC(=O)c2ccc(N)cc2)cc1
NC(=N)Nc1ccc(NC(=O)Oc2ccc(N)cc2)cc1
Oc1ccc(cc1)C1Oc2cc(O)cc(O)c2C(=O)C1c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)c(O)c1
CC(=O)Oc1ccc(cc1)C1Oc2cc(OC(C)=O)cc(O)c2C(=O)C1c1c(OC(C)=O)cc(O)c2c1oc(cc2=O)-c1ccc(OC(C)=O)c(OC(C)=O)c1
CCCC(=O)Oc1ccc(cc1)C1Oc2cc(OC(=O)CCC)cc(O)c2C(=O)C1c1c(OC(=O)CCC)cc(O)c2c1oc(cc2=O)-c1ccc(OC(=O)CCC)c(OC(=O)CCC)c1
COc1ccc(cc1)C1Oc2cc(OC)cc(O)c2C(=O)C1c1c(OC)cc(O)c2c1oc(cc2=O)-c1ccc(OC)c(OC)c1
CN(C1CCCC1)C(=O)[C@H](Cc1ccc(cc1)C(N)=NN)NS(=O)(=O)c1ccc2ccccc2c1 |w:19.21|
COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](NC(=O)c3ncn(c3C)-c3cccc(Cl)c3F)c3cc-2ccn3)c1
COC(=O)CN(CCc1ccc(cc1)-c1ccccc1S(N)(=O)=O)c1cccc(c1)C(N)=N
COC(=O)CN(c1cccc(c1)C(N)=N)S(=O)(=O)CCc1ccc(cc1)-c1ccccc1S(N)(=O)=O
COC(=O)CN(CCCOc1ccc(cc1)-c1ccccc1S(N)(=O)=O)c1cccc(c1)C(N)=N
NC(=N)c1cccc(c1)N(CCCc1ccc(cc1)-c1ccccc1S(N)(=O)=O)CC(O)=O
CC(C)OC(=O)CN(c1cccc(c1)C(N)=N)S(=O)(=O)CCc1ccc(cc1)-c1ccccc1S(N)(=O)=O
NC(=O)CN(CCCc1ccc(cc1)-c1ccccc1S(N)(=O)=O)c1cccc(c1)C(N)=N
CC(C)OC(=O)CN(CCOc1ccc(cc1)-c1ccccc1S(N)(=O)=O)c1cccc(c1)C(N)=N
NC(=N)c1cccc(NCCCc2ccc(cc2)-c2ccccc2S(N)(=O)=O)c1
CC(=O)CN(CCCc1ccc(cc1)-c1ccccc1S(N)(=O)=O)c1cccc(c1)C(N)=N
COC(=O)CN(CCOc1ccc(cc1)-c1ccccc1S(N)(=O)=O)c1cccc(c1)C(N)=N
COCCN(CCCc1ccc(cc1)-c1ccccc1S(N)(=O)=O)c1cccc(c1)C(N)=N
COC(=O)CN(CCCc1ccc(cc1)-c1ccccc1S(N)(=O)=O)c1cccc(c1)C(N)=N
NC(=N)c1cccc(NS(=O)(=O)CCc2ccc(cc2)-c2ccccc2S(N)(=O)=O)c1
CC(C)OC(=O)CN(CCCc1ccc(cc1)-c1ccccc1S(N)(=O)=O)c1cccc(c1)C(N)=N
NC(=N)c1cccc(c1)N(CCO)CCCc1ccc(cc1)-c1ccccc1S(N)(=O)=O
COc1ccc(NC(=O)c2nc3CCN(C)Cc3s2)c(c1)C(=O)Nc1ccc(Cl)cc1
COc1ccc(NC(=O)c2nc3CCN(C)Cc3s2)c(c1)C(=O)Nc1ccc(Cl)cn1
COc1ccc(NC(=O)c2nc3CCN(C)Cc3s2)c(c1)C(=O)Nc1ccc(C)cn1
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)P(=O)(Oc1ccccc1)Oc1ccccc1 |r|
CC(C)C(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)P(=O)(Oc1ccccc1)Oc1ccccc1 |r|
CCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)P(=O)(Oc1ccccc1)Oc1ccccc1 |r|
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NC(C(C)(C)C)P(=O)(Oc1ccccc1)Oc1ccccc1 |r|
CCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)c1nccs1 |r|
CCC(C)C(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)c1nc2ccccc2s1 |r|
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)C(=O)C(C)=O |r|
CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NC(C(C)CC)P(=O)(Oc1ccccc1)Oc1ccccc1 |r|
CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)P(=O)(Oc1ccccc1)Oc1ccccc1 |r|
CCC(C)C(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)P(=O)(Oc1ccccc1)Oc1ccccc1 |r|
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)C(=O)C(=O)C1CC1 |r|
CCC(C)C(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)P(=O)(Oc1ccccc1)Oc1ccccc1 |r|
CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)P(=O)(Oc1ccccc1)Oc1ccccc1 |r|
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)C(=O)c1nc2ccccc2s1 |r|
CCC(=O)C(=O)C(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(C)C |r|
CC(C)[C@H](NC(=O)c1cccc2c1Oc1c(cccc1C2(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(O)=O)C(O)=O |r|
C[C@H](NC(=O)[C@H](C)NC(=O)c1cccc2c1Oc1c(cccc1C2(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(O)=O)C(O)=O |r|
CC(C)[C@H](NC(=O)c1cccc2c1Oc1c(cccc1C2(C)C)C(=O)N[C@@H](C(C)C)C(O)=O)C(O)=O |r|
COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](C\C=C\CCC(=O)Nc2c1)N1CC[C@@H](CC1=O)c1cccc(Cl)c1 |r,t:17|
COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](C\C=C\CCC(=O)Nc2c1)N1CC[C@@H](OC1=O)c1cccc(Cl)c1 |r,t:17|
NC(=N)NC(=O)c1nc(-c2cc3ccccc3o2)c(N)nc1N
c1(c(nc(c(n1)Cl)N)N)C(=O)NC(=N)N
Cc1cccc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)CCl)c1
COc1cccc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)CCl)c1
Cc1ccc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)CCl)cc1
CCc1ccc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)CCl)cc1
ClCC(=O)[C@H](Cc1ccccc1)NC(=O)CCCc1ccccc1
Fc1ccccc1CCC(=O)N[C@@H](Cc1ccccc1)C(=O)CCl
ClCC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccccc1
CC(C)c1ccc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)CCl)cc1
ClCC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1ccc(Cl)cc1
Oc1ccc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)CCl)cc1
ClCC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCc1ccccc1
ClCC(=O)[C@H](Cc1ccccc1)NC(=O)\C=C\c1ccccc1
Fc1ccc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)CCl)cc1
c1ccc(cc1)C[C@@H](C(=O)CCl)NC(=O)OCc2ccccc2
FC(F)(F)c1ccc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)CCl)cc1
ClCC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1
Fc1cccc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)CCl)c1
Cc1ccccc1CCC(=O)N[C@@H](Cc1ccccc1)C(=O)CCl
COc1ccc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)CCl)cc1
COc1cccc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)CCl)c1OC
COc1ccccc1CCC(=O)N[C@@H](Cc1ccccc1)C(=O)CCl
Oc1cccc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)CCl)c1
COc1ccc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)CCl)cc1OC
FC(F)(F)c1cccc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)CCl)c1
ClCC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1cccc(Cl)c1Cl
ClCC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1cccc(Cl)c1
Cc1ccc(cc1)S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)CCl
ClCC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1ccc(Cl)c(Cl)c1
ClCC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1ccccc1
ClCC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1ccccc1Cl
[H][C@]1(Cc2ccc(NC(=O)CN3CCN(CC3)CC(=O)Nc3ccc(C[C@]([H])(NC1=O)C(=O)NCc1ccc(cc1)C(N)=N)cc3)cc2)NC(=O)CCc1ccccc1
[H][C@]1(Cc2ccc(NC(=O)CCN3CCN(CC3)CCC(=O)Nc3ccc(C[C@@]([H])(NS(=O)(=O)NC4CCCCC4)C(=O)N1)cc3)cc2)C(=O)NCCCCN
[H][C@]1(Cc2ccc(NC(=O)CN3CCN(CC3)CC(=O)Nc3ccc(C[C@]([H])(NC1=O)C(=O)NCc1ccc(cc1)C(N)=N)cc3)cc2)NS(=O)(=O)NC1CCCCC1
[H][C@]1(Cc2ccc(NC(=O)CCN3CCN(CC3)CCC(=O)Nc3ccc(C[C@]([H])(NC1=O)C(=O)NCc1ccc(CN)cc1)cc3)cc2)NC(=O)OC(C)(C)C |r,wU:28.29,wD:1.0,(12.95,-19.34,;12.9,-20.87,;12.86,-22.4,;11.86,-23.57,;10.35,-23.28,;9.36,-24.44,;9.87,-25.89,;9.12,-27.38,;9.86,-28.75,;9.05,-30.08,;11.42,-28.79,;12.16,-30.16,;13.72,-30.2,;14.52,-28.89,;16.05,-28.93,;16.77,-30.28,;15.97,-31.58,;14.44,-31.53,;18.33,-30.32,;19.15,-29,;20.71,-29.04,;21.45,-30.42,;21.48,-27.69,;19.67,-26.19,;20.04,-24.68,;18.92,-23.6,;17.42,-24.03,;16.87,-22.17,;16.91,-20.22,;16.96,-18.69,;15.56,-20.95,;14.26,-20.14,;14.3,-18.61,;18.21,-21.03,;18.16,-22.56,;19.56,-20.3,;20.86,-21.1,;22.21,-20.38,;23.51,-21.19,;24.86,-20.47,;24.91,-18.93,;26.28,-18.2,;27.61,-19.02,;23.6,-18.13,;22.25,-18.85,;17.04,-25.54,;18.16,-26.63,;11.38,-26.17,;12.37,-25,;11.6,-20.07,;10.23,-20.81,;10.19,-22.37,;8.9,-19.99,;7.53,-20.73,;8.3,-22.07,;6.75,-22.07,;6.2,-19.92,)|
[H][C@]1(Cc2ccc(NC(=O)CCN3CCN(CC3)CCC(=O)Nc3ccc(C[C@]([H])(NC1=O)C(=O)NCc1ccc(cc1)C(N)=N)cc3)cc2)NC=O
[H][C@]1(Cc2ccc(NC(=O)CCN3CCN(CC3)CCC(=O)Nc3ccc(C[C@@]([H])(NC(=O)OC)C(=O)N1)cc3)cc2)C(=O)NCc1ccc(cc1)C(N)=N
[H][C@]1(Cc2ccc(NC(=O)CCN3CCN(CC3)CCC(=O)Nc3ccc(C[C@]([H])(NC1=O)C(=O)NCc1ccc(cc1)C(N)=N)cc3)cc2)NC(=O)CCc1ccccc1
[H][C@]1(Cc2ccc(NC(=O)CN3CCN(CC3)CC(=O)Nc3ccc(C[C@]([H])(NC1=O)C(=O)NCc1ccc(cc1)C(N)=N)cc3)cc2)NC(=O)CCCc1ccccc1
[H][C@]1(Cc2ccc(NC(=O)CCN3CCN(CC3)CCC(=O)Nc3ccc(C[C@]([H])(NC1=O)C(=O)NCc1ccc(cc1)C(N)=N)cc3)cc2)NS(=O)(=O)CCCC
[H][C@]1(Cc2ccc(NC(=O)CCN3CCN(CC3)CCC(=O)Nc3ccc(C[C@]([H])(NC1=O)C(=O)NCc1ccc(cc1)C(N)=N)cc3)cc2)NS(=O)(=O)c1ccccc1
[H][C@]1(Cc2ccc(NC(=O)CCN3CCN(CC3)CCC(=O)Nc3ccc(C[C@@]([H])(NS(=O)(=O)Cc4ccccc4)C(=O)N1)cc3)cc2)C(=O)NCc1ccc(CN)cc1
[H][C@]1(Cc2ccc(NC(=O)CCN3CCN(CC3)CCC(=O)Nc3ccc(C[C@@]([H])(NS(=O)(=O)NC4CCCCC4)C(=O)N1)cc3)cc2)C(=O)NCc1ccc(CN)cc1
c1ccc(cc1)S(=O)(=O)N[C@@H]2Cc3ccc(cc3)NC(=O)CCN4CCN(CCC(=O)Nc5ccc(cc5)C[C@H](NC2=O)C(=O)NCc6ccc(cc6)CN)CC4
NCc1cccc(C[C@H](NC(=O)[C@@H](CCCc2ccccc2)NS(=O)(=O)Cc2cccc(c2)C(O)=O)C(=O)NCc2ccc(cc2)C(N)=N)c1 |r|
[H][C@]1(Cc2ccc(NC(=O)CCN3CCN(CC3)CCC(=O)Nc3ccc(C[C@]([H])(NC1=O)C(=O)NCc1ccc(cc1)C(N)=N)cc3)cc2)NC(=O)OCc1ccccc1
[H][C@]1(Cc2ccc(NC(=O)CN3CCN(CC3)CC(=O)Nc3ccc(C[C@]([H])(NC1=O)C(=O)NCc1ccc(cc1)C(N)=N)cc3)cc2)NS(=O)(=O)c1ccccc1
[H][C@]1(Cc2ccc(NC(=O)CCN3CCN(CC3)CCC(=O)Nc3ccc(C[C@]([H])(NC1=O)C(=O)NCCCCNC(N)=N)cc3)cc2)NS(=O)(=O)NC1CCCCC1
[H][C@]1(Cc2ccc(NC(=O)CCN3CCN(CC3)CCC(=O)Nc3ccc(C[C@]([H])(NC1=O)C(=O)NCc1ccc(cc1)C(N)=N)cc3)cc2)NC(=O)CCCc1ccccc1
[H]/N=C(\c1ccc(cc1)CNC(=O)[C@@H]2Cc3ccc(cc3)NC(=O)CCN4CCN(CCC(=O)Nc5ccc(cc5)C[C@H](C(=O)N2)NS(=O)(=O)NC6CCCCC6)CC4)/N
CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CSSC[C@H]2NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H]3CCCN3C(=O)[C@@H]3CSSC[C@@H](NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N3)NC(=O)[C@@H](NC2=O)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)CN |r|
CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CSSC[C@H]2NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H]3CCCN3C(=O)[C@@H]3CSSC[C@@H](NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N3)NC(=O)[C@@H](NC2=O)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)CN |r|
CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CSSC[C@H]2NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H]3CCCN3C(=O)[C@@H]3CSSC[C@@H](NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N3)NC(=O)[C@@H](NC2=O)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(O)=O)NC(=O)[C@@H](NC(=O)CNC(=O)CN)C(C)C |r|
CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CSSC[C@H]2NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H]3CCCN3C(=O)[C@@H]3CSSC[C@@H](NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N3)NC(=O)[C@@H](NC2=O)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@@H](N)CCCCN |r|
CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@@H](CSSC[C@H]2NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H]3CCCN3C(=O)[C@@H]3CSSC[C@@H](NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N3)NC(=O)[C@@H](NC2=O)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)CN |r|
CCCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CCC(O)=O)C(C)(C)C)C(=O)C(N)=O
NC(=N)c1cccc(c1)-n1nccc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
NC(=N)c1cccc(c1)-n1cccc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
NC(=N)c1cccc(c1)-c1[nH]c(=O)[nH]c1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
NC(=N)c1cccc(c1)-c1ncccc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
NC(=N)c1cccc(c1)-c1ccccc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Cc1cn(c(n1)C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O)-c1cccc(c1)C(N)=N
NC(=N)c1cccc(c1)-n1ccnc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
NC(=N)c1cccc(c1)-n1nncc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
NC(=N)c1cccc(c1)-n1cncc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
NC(=N)c1cccc(c1)-c1ncsc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Cn1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)c(n1)-c1cccc(c1)C(N)=N
NC(=N)c1cccc(c1)-c1nocc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
NC(=N)c1cccc(c1)-c1ocnc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
NC(=N)c1cccc(c1)-n1nnnc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Cc1nc(c(s1)C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O)-c1cccc(c1)C(N)=N
Cc1nc(c(o1)C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O)-c1cccc(c1)C(N)=N
Cc1nc(c([nH]1)C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O)-c1cccc(c1)C(N)=N
B1([C@@H]2C[C@@H]2c3ccc(c(c3O1)C(=O)O)F)O
CCCCCC(=O)N[C@H](C(=O)NCc1ccc(cc1)C(N)=N)c1ccc(OCc2ccccc2)cc1
CCCCCC(=O)N[C@@H](C(=O)NCc1ccc(NC(N)=N)cc1)c1ccc(OCc2ccccc2)cc1
NC(=N)Nc1ccc(CNC(=O)[C@@H](NC(=O)c2ccc(cc2)-c2ccccc2)c2ccc(OCc3ccccc3)cc2)cc1
CC[C@@H](C)[C@@H](NC1CCCCC1)C(=O)N1C[C@@H](O)C[C@H]1C(=O)NCc1ccc2c(N)nccc2c1 |r|
CC[C@@H](C)[C@@H](NC1CCC(F)(F)CC1)C(=O)N1C[C@](O)(CC)C[C@H]1C(=O)NCc1ccc2c(N)nccc2c1 |r|
CC[C@@H](C)[C@@H](NC1CCCCC1)C(=O)N1C[C@](C)(C[C@H]1C(=O)NCc1ccc2c(N)nccc2c1)C#N |r|
CC[C@@H](C)[C@@H](NS(=O)(=O)Cc1ccc(Cl)cc1)C(=O)N1C[C@](C)(C[C@H]1C(=O)NCc1ccc2c(N)nccc2c1)C#N |r|
CC[C@@H](C)[C@@H](NC1CCCCC1)C(=O)N1C[C@](O)(CC)C[C@H]1C(=O)NCc1ccc2c(N)nccc2c1 |r|
CC[C@@H](C)[C@@H](NC1CCCCC1)C(=O)N1C[C@@](C)(O)C[C@H]1C(=O)NCc1ccc2c(N)nccc2c1 |r|
CC[C@@H](C)[C@@H](NS(=O)(=O)Cc1ccc(Cl)cc1)C(=O)N1C[C@@](C)(O)C[C@H]1C(=O)NCc1ccc2c(N)nccc2c1 |r|
CC[C@@H](C)[C@@H](NS(=O)(=O)Cc1ccc(cc1)C(F)(F)F)C(=O)N1C[C@@](C)(O)C[C@H]1C(=O)NCc1ccc2c(N)nccc2c1 |r|
CC[C@@H](C)[C@@H](NC(C)C(F)F)C(=O)N1C[C@@](C)(O)C[C@H]1C(=O)NCc1ccc2c(N)nccc2c1 |r|
COC(=O)N=C(N)c1ccc(CNC(=O)N2CCN(CC2)C(=O)O[C@@H]2CCC[C@@H](CCC2)OC(=O)N2CCN(CC2)C(=O)NCCC2CCNCC2)cc1 |w:4.3|
NC(=N)c1ccc(CC(=O)N2CCN(CC2)C(=O)O[C@H]2CCC[C@H](CCC2)OC(=O)N2CCN(CC2)C(=O)NCCC2CCNCC2)cc1
NC(=N)c1ccc(cc1)C(=O)NCC1CCN(CC1)C(=O)O[C@H]1CCC[C@H](CCC1)OC(=O)N1CCN(CC1)C(=O)NCCC1CCNCC1
NC(=N)c1ccc(CNC(=O)N2CCN(CC2)C(=O)O[C@@H]2CCC[C@@H](CCC2)OC(=O)N2CCN(CC2)C(=O)CCCC2CCNCC2)cc1
NC(=N)c1ccc(cc1)S(=O)(=O)NCC1CCN(CC1)C(=O)O[C@H]1CCC[C@H](CCC1)OC(=O)N1CCN(CC1)C(=O)NCCC1CCNCC1
NC(=N)c1ccc(NC(=O)CC2CCN(CC2)C(=O)O[C@H]2CCC[C@H](CCC2)OC(=O)N2CCN(CC2)C(=O)NCCC2CCNCC2)cc1
NC(=N)c1ccc(CNC(=O)N2CCN(CC2)C(=O)O[C@@H]2CCC[C@@H](CCC2)OC(=O)N2CCN(CC2)C(=O)NCCC2CCNCC2)cc1
NC(=N)c1ccc(CNC(=O)N2CCN(CC2)C(=O)O[C@H]2CCC[C@H](CCC2)OC(=O)N2CCN(CC2)C(=O)NCc2ccc(cc2)C(N)=N)cc1
NC(=N)c1ccc(cc1)C(=O)NCC1CCN(CC1)C(=O)O[C@H]1CCC[C@H](CCC1)OC(=O)N1CCC(CNC(=O)c2ccc(cc2)C(N)=N)CC1
NC(=N)N1CCC(CNC(=O)CNC(=O)OCc2ccc(COC(=O)NCC(=O)NCC3CCN(CC3)C(N)=N)cc2)CC1
NCC1CCN(CC1)C(=O)NCC1CCN(CC1)C(=O)OCc1ccc(COC(=O)N2CCC(CNC(=O)N3CCC(CN)CC3)CC2)cc1
NC(=N)c1ccc(cc1)C(=O)NCC1CCN(CC1)C(=O)OCc1ccc(COC(=O)N2CCC(CNC(=O)c3ccc(cc3)C(N)=N)CC2)cc1
NCC1CCN(CC1)C(=O)NCCCCNC(=O)OCc1ccc(COC(=O)NCCCCNC(=O)N2CCC(CN)CC2)cc1
NC(=N)N1CCC(CCNC(=O)CNC(=O)OCc2ccc(COC(=O)NCC(=O)NCCC3CCN(CC3)C(N)=N)cc2)CC1
NC(=N)c1ccc(cc1)C(=O)NCC1CCN(CC1)C(=O)O[C@H]1CCC[C@H](CCC1)OC(=O)N1CCN(CC1)C(=O)CCCC1CCNCC1
[#6]-[#6]-[#6@H](-[#6])-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6]-1=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-2)-[#6@@H](-[#6])-[#8])-[#6@@H](-[#6])-[#6]-[#6]
CCCCCCOC(=O)CCCCCNC(N)=N
NC(=N)NCCCCCC(=O)Oc1ccccc1
NC(=N)c1ccc2cc(OC(=O)c3ccc(NC4=NCCN4)cc3)ccc2c1 |t:17|
Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1cc(Cl)ccc1Cl
CCNC(=O)COc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)[C@H](N)C1CCCCC1
Cc1nc(N)ccc1CNC(=O)Cn1c(C)cnc(N)c1=O
CCNC(=O)COc1ccc(Cl)cc1CNC(=O)Cn1c(C)cnc(NCCc2ccccc2)c1=O
Cc1cc(c(N)c(=O)n1CC(=O)NCc1ccc(N)nc1C)C(F)(F)F
CCNC(=O)COc1ccc(Cl)cc1CNC(=O)Cn1c(C)ccc(NS(=O)(=O)Cc2ccccc2)c1=O
Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1cccc(Cl)c1
CNC(=O)COc1ccc(Cl)cc1CNC(=O)Cn1c(C)cc(c(N)c1=O)C(F)(F)F
CCNC(=O)COc1ccc(Cl)cc1CNC(=O)Cn1c(C)cc(c(N)c1=O)C(F)(F)F
CN(C)CCNC(=O)COc1ccc(Cl)cc1CNC(=O)Cn1c(C)cc(c(N)c1=O)C(F)(F)F
CN(C)CCCNC(=O)COc1ccc(Cl)cc1CNC(=O)Cn1c(C)cc(c(N)c1=O)C(F)(F)F
CN(C)C(=O)COc1ccc(Cl)cc1CNC(=O)Cn1c(C)cc(c(N)c1=O)C(F)(F)F
CCNC(=O)COc1ccc(Cl)cc1CNC(=O)Cn1c(C)cnc(N)c1=O
N[C@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1Cl
NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(NCC1CC1)c1cccc(c1)C#N)C(F)(F)F
Clc1ccc(s1)-c1nc2ccc(CC(=O)Nc3ccc(cc3)N3CCCC3=O)cc2[nH]1
Clc1ccc(s1)-c1nc2ccc(CC(=O)Nc3ccc(cc3)N3CCCCC3=O)cc2[nH]1
Clc1ccc(s1)-c1nc2ccc(CC(=O)NCC3CCN(CC3)c3ccncc3)cc2[nH]1
Clc1ccc(s1)-c1nc2ccc(CC(=O)Nc3ccc(cc3)N3CCOCC3=O)cc2[nH]1
Clc1ccc(s1)-c1nc2ccc(CCC(=O)Nc3ccc(cc3)N3CCOCC3=O)cc2[nH]1
Cc1cc(NC(=O)CCc2ccc3nc([nH]c3c2)-c2ccc(Cl)s2)ccc1N1CCOCC1=O
Clc1ccc(s1)-c1nc2ccc(cc2[nH]1)C(=O)Nc1ccc(cc1)N1CCOCC1=O
Clc1ccc(s1)-c1nc2ccc(OCC(=O)Nc3ccc(cc3)N3CCOCC3=O)cc2[nH]1
Brc1ccc(s1)-c1nc2ccc(CC(=O)Nc3ccc(cc3)-n3ccccc3=O)cc2[nH]1
Cc1cc(NC(=O)CCc2ccc3nc([nH]c3c2)-c2ccc(Br)s2)ccc1N1CCOCC1=O
Cc1cc(NC(=O)Cc2ccc3nc([nH]c3c2)-c2ccc(Cl)s2)ccc1N1CCOCC1=O
Clc1ccc(s1)-c1nc2ccc(NC(=O)Cc3ccc(cc3)N3CCOCC3=O)cc2[nH]1
Clc1ccc(s1)-c1nc2ccc(CC(=O)NCc3ccc(cc3)N3CCOCC3=O)cc2[nH]1
Brc1ccc(s1)-c1nc2ccc(CC(=O)NCC3CCN(CC3)c3ccncc3)cc2[nH]1
Cc1cc(NC(=O)Cc2ccc3nc([nH]c3c2)-c2ccc(Br)s2)ccc1N1CCOCC1=O
Cc1cc(NC(=O)COc2ccc3nc([nH]c3c2)-c2ccc(Cl)s2)ccc1N1CCOCC1=O
CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)Cc2ccc3nc([nH]c3c2)-c2ccc(Cl)s2)cc1
CC1CC(=O)NN=C1c1ccc2nc([nH]c2c1)-c1ccc(Cl)s1 |c:6|
Cc1cc(NC(=O)Cc2ccc3nc([nH]c3c2)-c2ccc(Cl)s2)ccc1-n1ccccc1=O
Clc1ccc(s1)-c1nc2ccc(CNC(=O)c3ccc(cc3)N3CCOCC3=O)cc2[nH]1
C[C@@H]1CCC[C@@H](c2cc(ccn2)-c2c(NC1=O)cnn2C(F)F)n1cnc(cc1=O)-c1cc(Cl)ccc1-n1cc(Cl)nn1 |r|
CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)(C)C)C(=O)C(=O)NC1CC1
CCC[C@H](NC(=O)[C@@H]1C2CCCC2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)(C)C)C(C)(C)C)C(=O)C(=O)NC1CC1
CCC[C@H](NC(=O)[C@@H]1C2CCCC2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)NC1CC1
CCC[C@H](NC(=O)[C@@H]1C2CCCC2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)[C@@H](C)CC)C(C)(C)C)C(=O)C(=O)NC1CC1
CCC[C@H](NC(=O)[C@@H]1C2CCCC2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)[C@@H](C)OC)C(C)(C)C)C(=O)C(=O)NC1CC1
CCCC(NC(=O)[C@@H]1C2CCCC2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)N[C@H](C)CC
CCCC(NC(=O)[C@@H]1C2CCCC2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1
CC(C)(C)[C@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(=O)N1CC2CCCC2[C@H]1C(=O)NC(CC(F)F)C(=O)C(=O)NC1CC1
[H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC2=O)C(N)=O |r|
CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(N)=O |r|
[H][C@@]12CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC2=O)[C@@H](C)O)C(N)=O |r|
NC(=N)c1ccc2cc(cc(Nc3ncccn3)c2c1)C1CC1c1ccccc1
CC(C)Oc1cccc(c1)C1CC1c1ccc2cc(ccc2c1)C(N)=N
NC(=N)c1ccc2cc(\C=C\c3ccccc3)cc(Br)c2c1
NC(=N)c1ccc2cc(ccc2c1)C1CC1c1ccc2CCN=C(C3CCCCC3)c2c1 |t:25|
CN1CCc2ccc(cc2C1C1CCCCC1)C1CC1c1ccc2cc(ccc2c1)C(N)=N
[H]/N=C(/c1ccc2cc(ccc2c1)[C@@H]3C[C@H]3c4ccccc4)\N
[H]/N=C(/c1ccc2cc(ccc2c1)C(=O)Nc3ccccc3)N
CC(C)C1=NCCc2ccc(cc12)C1CC1c1ccc2cc(ccc2c1)C(N)=N |t:3|
NC(=N)c1ccc2cc(cc(Br)c2c1)C1CC1c1ccccc1
NC(=N)c1ccc2cc(ccc2c1)C1CC1c1ccc2CCN=C(c3ccccc3)c2c1 |t:25|
NC(=N)c1ccc2cc(cc(Br)c2c1)C(=O)Nc1ccccc1
CC(C)C1=NCCc2ccc(cc12)[C@H]1CC1c1ccc2cc(ccc2c1)C(N)=N |t:3|
[H]/N=C(\c1ccc2cc(cc(c2c1)Nc3ncccn3)C(=O)Nc4ccccc4)/N
NC(=N)c1ccc2cc(CCc3ccccc3)cc(Nc3ncccn3)c2c1
NC(=N)c1ccc2cc(\C=C\c3ccccc3)cc(Nc3ncccn3)c2c1
CC(C)C1N(C)CCc2ccc(cc12)C1CC1c1ccc2cc(ccc2c1)C(N)=N
NC(=N)c1ccc2cc(\C=C\c3ccccc3)ccc2c1
NC(=N)c1ccc2cc(cc(-c3ccoc3)c2c1)C(=O)Nc1ccccc1
NC(=N)c1ccc2cc(\C=C\c3ccccc3)cc(-c3ccoc3)c2c1
COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1nccc(OC)c1F
Cn1c2ccc(cc2nc(Cc2ccc(cc2)C(N)=N)c1=O)C1(CC1)C(=O)N1CCCC1
Cn1c2ccc(cc2nc(Cc2ccc(cc2)C(N)=N)c1=O)C1(CC1)C(=O)N1CCCC1C(=O)NCC(O)=O
Cn1c2ccc(cc2nc(Cc2ccc(cc2)C(N)=N)c1=O)C1(CC1)N(C1CCCC1)C(=O)CC(O)=O
C[C@H]1CCC[C@@H](C)N1CCCCCn1c2ccccc2nc(-c2cc(ccc2O)C(N)=N)c1=O |r|
NC(=N)Nc1ccc(cc1)C(=O)Nc1ccc2COB(O)c2c1
C[C@@H]([C@@H]1CC[C@@H](O1)c1cc(F)c(Cl)cc1C(F)(F)F)N1CCn2c(ccc(-n3cnc(C)c3)c2=O)C1=O
NC(=N)NCCC[C@H](NC(=O)[C@H](CCc1ccc(O)cc1)NC(=O)[C@H](O)Cc1ccc(O)cc1)C=O |r|
NC(=N)NCCC[C@@H](CO)NC(=O)[C@H](CCc1ccc(O)cc1)NC(=O)[C@H](O)Cc1ccc(O)cc1 |r|
CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C=O |r|
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S([O-])(=O)=O
CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)NCc1ccccc1)c1ccc(OCc2ccc(cc2)C(F)(F)F)cc1 |r|
NC(=O)c1ccc2N(Cc3ccc4ccccc4c3)C(=O)C(=O)c2c1
CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)O
CCCCC\C=C/C\C=C/CCCCCCCc1cccc(O)c1C(O)=O
CCCCCC\C=C/CCCCCCCCCc1cccc(O)c1C(O)=O
CCCCCC\C=C/CCCCCCCc1cccc(O)c1C(O)=O
CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O
CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O
CC\C=C/C\C=C/C\C=C/CCCCCCCCCC(O)=O
CCCCC\C=C/C\C=C/CCCCCCCCCC(O)=O
CCCCC\C=C/C\C=C/C\C=C/CCCCC(O)=O
CCC=CCC=CC\C=C/CCCCCCCC(=O)O
CCCCC\C=C/C\C=C/CCCCCCCC(=O)O
CCCCCCCC\C=C/CCCCCCCC(=O)O
CCCCCC\C=C/CCCCCCCC(=O)O
CCCC/C=C\CCCCCCCC(=O)O
COC(=O)c1ccccc1CS(=O)(=O)N[C@H]1CCCCN(CC(=O)N[C@@H](CCCNC(N)=[NH2+])C(O)=O)C1=O
NC(=N)c1ccc(CC(=O)CN2CCCC[C@H](NS(=O)(=O)c3ccc4ccccc4c3)C2=O)cc1
Cc1nc(N)ccc1CC(=O)CN1CCCC[C@H](NS(=O)(=O)Cc2ccccc2)C1=O
ONC(=N)c1ccc(CC(=O)CN2CCCC[C@H](NS(=O)(=O)c3ccc4OCCc4c3)C2=O)cc1
NC(=[NH2+])NCCC[C@H](NC(=O)CN1CCCC[C@H](NS(=O)(=O)Cc2ccccc2)C1=O)C(O)=O
NC(=N)c1ccc(CC(=O)CN2CCCC[C@H](NS(=O)(=O)Cc3ccccc3)C2=O)cc1
NC(=N)c1ccc(CC(=O)CN2CCCC[C@H](NS(=O)(=O)c3ccc4OCCc4c3)C2=O)s1
NC(=N)N1CCC(CC(=O)[C@@H]2Cc3cccc4CC[C@H](NS(=O)(=O)c5ccc6OCCc6c5)C(=O)N2c34)CC1
Cc1nc(N)ccc1CC(=O)CN1CCC[C@H](NS(=O)(=O)Cc2ccccc2)C1=O
COc1ccc(OC)c(c1)S(=O)(=O)N[C@H]1CCCCN(CC(=O)Cc2ccc(cc2)C(N)=N)C1=O
NC(=N)c1ccc(CC(=O)CN2CCCC[C@H](NS(=O)(=O)c3ccc4OCCc4c3)C2=O)c(F)c1
COc1ccc(cc1OC)S(=O)(=O)N[C@H]1CCCCN(CC(=O)CC2CCN(CC2)C(N)=N)C1=O
COc1ccc(cc1OC)S(=O)(=O)N[C@H]1CCCCN(CC(=O)Cc2ccc(cc2)C(N)=N)C1=O
N[C@H]1CC[C@H](CC(=O)CN2CCCC[C@H](NS(=O)(=O)c3ccc4OCCc4c3)C2=O)CC1 |wU:14.14,4.4,wD:1.0,(19.96,-16.04,;18.83,-15.02,;18.83,-13.47,;17.49,-12.71,;16.16,-13.48,;14.83,-12.71,;14.83,-11.17,;15.71,-9.91,;13.29,-11.05,;12.64,-9.65,;13.62,-8.46,;13.29,-6.97,;11.91,-6.28,;10.51,-6.92,;10.16,-8.42,;8.65,-8.75,;7.21,-9.31,;7.76,-10.75,;6.67,-7.86,;5.87,-10.07,;5.85,-11.61,;4.52,-12.36,;3.19,-11.61,;1.7,-12.06,;.82,-10.79,;1.73,-9.56,;3.2,-10.05,;4.55,-9.28,;11.1,-9.63,;10.43,-11.03,;16.16,-15.02,;17.49,-15.8,)|
NC(=N)c1ccc(CC(=O)CN2c3ccccc3CC[C@H](NS(=O)(=O)c3ccc4OCCc4c3)C2=O)cc1
Cc1nc(N)ccc1CC(=O)CN1CCCC[C@H](NS(=O)(=O)c2ccc3OCCc3c2)C1=O
NC(=N)c1ccc(CC(=O)CN2CCCC[C@H](NS(=O)(=O)c3ccccc3)C2=O)cc1
NC(=N)c1ccc(CC(=O)CN2CCCC[C@H](NS(=O)(=O)c3ccc4OCCc4c3)C2=O)cc1
NC(=N)N1CCC(CC(=O)CN2CCCC[C@H](NS(=O)(=O)c3ccc4OCCc4c3)C2=O)CC1
NC(=N)N1CCC(CC(=O)CN2CCCC[C@H](NS(=O)(=O)c3ccccc3)C2=O)CC1
Fc1cc(NC(=O)c2sc3ccccc3c2Cl)c(cc1Cl)C(=O)Nc1ccc(Cl)cc1
Cc1c(sc2ccccc12)C(=O)Nc1ccc(C)cc1C(=O)Nc1ccc(F)cc1
COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cc2)c1NC(=O)c1sc2ccccc2c1Cl
Oc1ccc(NC(=O)c2sc3ccccc3c2Cl)c(c1)C(=O)Nc1ccc(Cl)cc1
[O-][N+](=O)c1ccc(NC(=O)c2sc3ccccc3c2Cl)c(c1)C(=O)Nc1ccc(Cl)cc1
Cc1ccc(NC(=O)c2cc3ccccc3s2)c(c1)C(=O)Nc1ccc(F)cc1
Cc1ccc(NC(=O)c2sc3ccccc3c2Cl)c(c1)C(=O)Nc1ccc(Cl)cn1
Cc1ccc(NC(=O)c2sc3ccccc3c2O)c(c1)C(=O)Nc1ccc(Cl)cc1
Cc1ccc(NC(=O)c2sc3ccccc3c2Cl)c(c1)C(=O)Nc1ccccc1Cl
Cc1ccc(NC(=O)c2sc3ccccc3c2Cl)c(c1)C(=O)Nc1ccc(Cl)cc1
Cc1ccc(NC(=O)c2sc3ccccc3c2Cl)c(c1)C(=O)Nc1ccc(cc1)C#N
Cc1ccc(NC(=O)c2ccc3ccccc3c2)c(c1)C(=O)Nc1ccc(Cl)cc1
Oc1cccc(C(=O)Nc2ccc(Cl)cc2)c1NC(=O)c1sc2ccccc2c1Cl
Fc1ccc(C(=O)Nc2ccc(Cl)cc2)c(NC(=O)c2sc3ccccc3c2Cl)c1
Cc1ccc(NC(=O)c2sc3ccccc3c2Cl)c(c1)C(=O)Nc1cccc(Cl)c1
FC(F)(F)c1ccc(C(=O)Nc2ccc(Cl)cc2)c(NC(=O)c2sc3ccccc3c2Cl)c1
Cc1ccc(NC(=O)c2sccc2Cl)c(c1)C(=O)Nc1ccc(Cl)cc1
Cc1ccc(C(=O)Nc2ccc(Cl)cc2)c(NC(=O)c2sc3ccccc3c2Cl)c1
COc1ccsc1C(=O)Nc1ccc(C)cc1C(=O)Nc1ccc(Cl)cc1
Cc1ccc(NC(=O)c2ccccc2Br)c(c1)C(=O)Nc1ccc(Cl)cc1
Clc1c(sc2ccccc12)C(=O)Nc1cccc(Cl)c1C(=O)Nc1ccc(Cl)cc1
Fc1cccc(NC(=O)c2sc3ccccc3c2Cl)c1C(=O)Nc1ccc(Cl)cc1
Nc1ccc(NC(=O)c2sc3ccccc3c2Cl)c(c1)C(=O)Nc1ccc(Cl)cc1
COC(=O)c1ccc(NC(=O)c2cc(C)ccc2NC(=O)c2sc3ccccc3c2Cl)cc1
Cc1ccc(NC(=O)c2sc3ccccc3c2Cl)c(c1)C(=O)Nc1ccc(cc1)C(O)=O
Cc1ccc(NC(=O)c2sc3ccccc3c2Cl)c(c1)C(=O)Nc1ccccn1
Cc1ccc(NC(=O)c2cc(C)ccc2NC(=O)c2sc3ccccc3c2Cl)cc1
COc1cccc(C(=O)Nc2ccc(Cl)cc2)c1NC(=O)c1sc2ccccc2c1Cl
Clc1c(sc2ccccc12)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1
Cc1ccc(NC(=O)c2sc3ccccc3c2Cl)c(c1)C(=O)Nc1ccc(Br)cc1
Cc1ccc(NC(=O)c2sc3ccccc3c2Cl)c(c1)C(=O)Nc1nccs1
Clc1c(sc2ccccc12)C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1
Cc1cccc(NC(=O)c2sc3ccccc3c2Cl)c1C(=O)Nc1ccc(Cl)cc1
Cc1ccc(NC(=O)c2sc3ccccc3c2Cl)c(c1)C(=O)Nc1ccc(F)cc1
Fc1ccc(NC(=O)c2sc3ccccc3c2Cl)c(c1)C(=O)Nc1ccc(Cl)cc1
Cc1ccc(NC(=O)c2scc(c2Cl)S(C)(=O)=O)c(c1)C(=O)Nc1ccc(Cl)cc1
Cc1ccc(NC(=O)c2sc3ccccc3c2Cl)c(c1)C(=O)Nc1ccc(N)cc1
Cc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cc2)c1NC(=O)c1sc2ccccc2c1Cl
Cc1ccc(NC(=O)c2sc3ccccc3c2Cl)c(c1)C(=O)Nc1cccnc1
COc1c(sc2ccccc12)C(=O)Nc1ccc(C)cc1C(=O)Nc1ccc(Cl)cc1
COc1c(Br)csc1C(=O)Nc1ccc(C)cc1C(=O)Nc1ccc(Cl)cc1
Cc1ccc(NC(=O)c2sc3ccccc3c2Cl)c(c1)C(=O)Nc1ccccc1
Cc1nc(C)c(s1)C(=O)Nc1ccc(C)cc1C(=O)Nc1ccc(Cl)cc1
CSc1ncc(Cl)c(n1)C(=O)Nc1ccc(C)cc1C(=O)Nc1ccc(Cl)cc1
Clc1c(sc2ccccc12)C(=O)Nc1cc(Cl)ccc1C(=O)Nc1ccc(Cl)cc1
COc1ccc(COc2ccc(NC(=O)c3sc4ccccc4c3Cl)c(c2)C(=O)Nc2ccc(Cl)cc2)cc1
CN1CCN(CC1)c1ccc(NC(=O)c2sc3ccccc3c2Cl)c(c1)C(=O)Nc1ccc(Cl)cc1
Cc1ccc(NC(=O)c2sc3ccccc3c2Cl)c(c1)C(=O)Nc1ccc(CN)cc1
Cc1cccc(C(=O)Nc2ccc(Cl)cc2)c1NC(=O)c1sc2ccccc2c1Cl
Cc1ccc(NC(=O)c2sccc2Cl)c(c1)C(=O)Nc1ccc(F)cc1
Cc1cc(NC(=O)c2sc3ccccc3c2Cl)c(cc1Cl)C(=O)Nc1ccc(Cl)cc1
CCOC(=O)COc1cccc(C(=O)Nc2ccc(Cl)cc2)c1NC(=O)c1sc2ccccc2c1Cl
Clc1c(sc2ccccc12)C(=O)Nc1ccc(cc1C(=O)Nc1ccc(Cl)cc1)N1CCCC1
Cc1ccc(NC(=O)c2cccnc2C)c(c1)C(=O)Nc1ccc(Cl)cc1
Oc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cc2)c1NC(=O)c1sc2ccccc2c1Cl
CCOc1ccc(NC(=O)c2cc(C)ccc2NC(=O)c2sc3ccccc3c2Cl)cc1
Cc1ccc(NC(=O)c2sc3ccccc3c2Cl)c(c1)C(=O)Nc1ccc(cc1)C(F)(F)F
Clc1c(sc2ccccc12)C(=O)Nc1c(Cl)cccc1C(=O)Nc1ccc(Cl)cc1
COc1ccc(NC(=O)c2cc(C)ccc2NC(=O)c2sc3ccccc3c2Cl)cc1
C[C@H]1CN2CC(=O)Nc3ccc(C[C@H](NC(=O)[C@@H](Cc4ccc(CNC(=O)CN1C[C@@H]2C)cc4)NS(=O)(=O)Cc1ccccc1)C(=O)NCc1ccc(cc1)C(N)=N)cc3 |r|
NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(NC(=O)CN4CCCN(CC4)CC(=O)NCc4ccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)cc4)cc3)cc1 |r|
NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(NC(=O)CN4CCN(CC4)CC(=O)NCc4ccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)cc4)cc3)cc1 |r,wU:37.38,wD:11.10,(75.05,-3.68,;75.03,-5.21,;76.35,-6,;73.69,-5.97,;73.66,-7.51,;72.31,-8.25,;71,-7.47,;69.65,-8.22,;68.34,-7.43,;66.99,-8.18,;66.97,-9.72,;65.67,-7.39,;64.32,-8.14,;64.31,-9.68,;62.97,-10.45,;62.96,-11.98,;64.39,-12.79,;63.08,-14.96,;63.13,-16.49,;64.47,-17.22,;61.82,-17.29,;60.47,-16.56,;59.16,-17.36,;57.82,-16.63,;57.78,-15.1,;59.08,-14.29,;60.43,-15.02,;56.43,-14.38,;56.42,-12.84,;55.08,-12.09,;57.74,-12.07,;57.73,-10.53,;59.05,-9.75,;59.04,-8.21,;60.36,-7.43,;61.7,-8.2,;63.03,-7.42,;63.01,-5.88,;61.67,-5.11,;60.34,-5.9,;59.57,-7.23,;61.11,-7.23,;59,-5.13,;57.68,-5.91,;56.34,-5.14,;55.01,-5.92,;55.01,-7.46,;56.34,-8.23,;57.68,-7.46,;64.34,-5.09,;64.33,-3.55,;65.68,-5.85,;61.72,-9.73,;60.4,-10.52,;65.63,-11.99,;65.64,-10.46,;71.01,-5.93,;72.35,-5.17,)|
C[C@H]1CN2CC(=O)Nc3ccc(C[C@@H](NS(=O)(=O)Cc4ccccc4)C(=O)N[C@@H](Cc4ccc(NC(=O)CN1C[C@@H]2C)cc4)C(=O)NCc1ccc(cc1)C(N)=N)cc3 |r|
C[C@H]1CN2CC(=O)Nc3ccc(C[C@@H](NS(=O)(=O)Cc4ccccc4)C(=O)N[C@@H](Cc4ccc(NC(=O)CN1C[C@H]2C)cc4)C(=O)NCc1ccc(cc1)C(N)=N)cc3 |r|
NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(NC(=O)CCN4CCCN(CC4)CCC(=O)Nc4ccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)cc4)cc3)cc1 |r|
NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(NC(=O)CN4CCCN(CC4)CC(=O)Nc4ccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)cc4)cc3)cc1 |r|
NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(NC(=O)CCN4CCN(CC4)CCC(=O)Nc4cccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)c4)cc3)cc1 |r,wU:39.40,wD:11.10,(23.16,-38.31,;23.14,-39.85,;24.46,-40.63,;21.8,-40.6,;21.77,-42.14,;20.42,-42.88,;19.11,-42.1,;17.76,-42.85,;16.45,-42.06,;15.1,-42.81,;15.08,-44.35,;13.78,-42.03,;12.43,-42.78,;12.42,-44.32,;11.08,-45.08,;11.07,-46.62,;12.4,-47.39,;12.39,-48.93,;11.06,-49.69,;9.74,-48.91,;11.06,-51.22,;9.72,-51.98,;8.4,-51.21,;8.41,-49.68,;7.1,-48.91,;5.76,-49.66,;5.75,-51.2,;7.08,-51.98,;4.44,-48.89,;4.45,-47.35,;5.79,-46.6,;5.8,-45.06,;8.53,-46.68,;8.51,-45.15,;7.16,-44.39,;7.15,-42.84,;8.47,-42.07,;9.81,-42.83,;11.14,-42.05,;11.12,-40.51,;9.78,-39.75,;8.45,-40.54,;7.68,-41.86,;9.22,-41.86,;7.11,-39.77,;5.79,-40.55,;4.45,-39.78,;3.12,-40.55,;3.12,-42.1,;4.45,-42.87,;5.79,-42.1,;12.45,-39.72,;12.44,-38.18,;13.79,-40.48,;9.83,-44.36,;13.74,-46.63,;13.75,-45.09,;19.12,-40.56,;20.47,-39.81,)|
NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3cccc(NC(=O)CCN4CCN(CC4)CCC(=O)Nc4ccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)cc4)c3)cc1 |r,wU:39.40,wD:11.10,(72.19,-20.4,;72.17,-21.94,;73.49,-22.72,;70.83,-22.69,;70.8,-24.23,;69.45,-24.97,;68.14,-24.19,;66.79,-24.94,;65.48,-24.16,;64.13,-24.9,;64.11,-26.44,;62.81,-24.12,;61.46,-24.87,;61.45,-26.41,;60.11,-27.17,;60.1,-28.71,;61.43,-29.49,;62.77,-28.72,;64.19,-31.03,;62.87,-31.8,;61.53,-31.04,;62.87,-33.33,;61.55,-34.11,;60.22,-33.35,;58.89,-34.12,;57.57,-33.36,;57.56,-31.83,;58.87,-31.05,;60.21,-31.81,;56.23,-31.08,;56.21,-29.55,;54.88,-28.79,;53.56,-29.57,;54.87,-27.26,;56.19,-26.48,;56.18,-24.94,;57.5,-24.16,;58.84,-24.92,;60.17,-24.14,;60.15,-22.6,;58.81,-21.84,;57.48,-22.63,;56.7,-23.95,;58.25,-23.95,;56.14,-21.86,;54.82,-22.64,;53.48,-21.87,;52.15,-22.64,;52.15,-24.19,;53.48,-24.96,;54.82,-24.19,;61.48,-21.81,;61.47,-20.27,;62.82,-22.58,;58.86,-26.45,;57.54,-27.24,;62.78,-27.18,;68.15,-22.66,;69.49,-21.9,)|
NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(NC(=O)CCN4CCN(CC4)CCC(=O)Nc4ccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)cc4)cc3)cc1 |r,wU:38.39,wD:11.10,(46.28,-21.08,;46.25,-22.61,;47.58,-23.4,;44.91,-23.37,;44.89,-24.91,;43.54,-25.65,;42.23,-24.87,;40.88,-25.62,;39.56,-24.83,;38.22,-25.58,;38.2,-27.12,;36.89,-24.79,;35.55,-25.54,;35.54,-27.08,;34.2,-27.85,;34.19,-29.38,;35.52,-30.16,;35.62,-31.71,;36.95,-32.47,;38.28,-31.7,;36.96,-34.01,;35.64,-34.78,;34.31,-34.02,;32.98,-34.79,;31.65,-34.04,;31.65,-32.51,;32.96,-31.72,;34.3,-32.49,;30.32,-31.75,;30.3,-30.22,;28.97,-29.47,;27.65,-30.24,;28.95,-27.93,;30.28,-27.15,;30.26,-25.61,;31.59,-24.83,;32.93,-25.59,;34.25,-24.82,;34.24,-23.28,;32.9,-22.51,;31.57,-23.3,;30.79,-24.63,;32.33,-24.63,;30.23,-22.53,;28.9,-23.31,;27.57,-22.54,;26.24,-23.32,;26.23,-24.86,;27.57,-25.63,;28.91,-24.86,;35.57,-22.49,;35.56,-20.95,;36.91,-23.25,;32.95,-27.13,;31.63,-27.92,;36.86,-29.39,;36.86,-27.86,;42.24,-23.33,;43.58,-22.57,)|
NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(NC(=O)CN4CCN(CC4)CC(=O)Nc4cccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)c4)cc3)cc1 |r,wU:37.38,wD:11.10,(21.45,-20.15,;21.42,-21.69,;22.75,-22.47,;20.08,-22.44,;20.06,-23.98,;18.71,-24.73,;17.4,-23.95,;16.05,-24.69,;14.73,-23.91,;13.39,-24.65,;13.37,-26.19,;12.06,-23.87,;10.72,-24.62,;10.71,-26.16,;9.37,-26.92,;9.36,-28.46,;10.69,-29.24,;10.68,-30.77,;12.01,-31.54,;13.34,-30.78,;12,-33.07,;9.51,-33.1,;8.19,-33.87,;6.86,-33.12,;6.85,-31.59,;8.16,-30.8,;9.35,-31.53,;5.52,-30.84,;5.5,-29.31,;4.16,-28.56,;6.82,-28.53,;6.8,-26.99,;5.45,-26.23,;5.43,-24.69,;6.76,-23.91,;8.1,-24.67,;9.42,-23.89,;9.41,-22.35,;8.07,-21.59,;6.74,-22.38,;5.96,-23.7,;7.5,-23.7,;5.4,-21.61,;4.07,-22.39,;2.74,-21.62,;1.41,-22.4,;1.4,-23.94,;2.74,-24.71,;4.08,-23.94,;10.74,-21.56,;10.73,-20.02,;12.08,-22.33,;8.12,-26.2,;12.03,-28.47,;12.03,-26.93,;17.41,-22.41,;18.75,-21.65,)|
NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3cccc(NC(=O)CN4CCN(CC4)CC(=O)Nc4ccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)cc4)c3)cc1 |r|
NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3cccc(NC(=O)CN4CCN(CC4)CC(=O)Nc4cccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)c4)c3)cc1 |r,wU:38.39,wD:11.10,(46.63,-3.72,;46.61,-5.26,;47.93,-6.04,;45.27,-6.01,;45.24,-7.55,;43.89,-8.29,;42.58,-7.51,;41.23,-8.26,;39.92,-7.47,;38.57,-8.22,;38.55,-9.76,;37.25,-7.44,;35.9,-8.19,;35.89,-9.73,;34.55,-10.49,;34.54,-12.03,;35.87,-12.8,;37.21,-12.04,;38.54,-12.81,;38.53,-14.34,;39.86,-15.11,;36.03,-17.42,;34.69,-16.66,;33.37,-17.44,;32.04,-16.69,;32.03,-15.16,;33.34,-14.37,;34.68,-15.13,;30.7,-14.41,;30.68,-12.88,;29.34,-12.12,;32,-12.09,;31.98,-10.56,;30.63,-9.8,;30.62,-8.25,;31.95,-7.48,;33.28,-8.24,;34.61,-7.46,;34.59,-5.92,;33.25,-5.16,;31.92,-5.95,;31.15,-7.27,;32.69,-7.27,;30.58,-5.18,;29.26,-5.96,;27.92,-5.19,;26.59,-5.96,;26.59,-7.51,;27.92,-8.28,;29.26,-7.51,;35.92,-5.13,;35.91,-3.59,;37.26,-5.89,;33.3,-9.77,;37.22,-10.5,;42.59,-5.97,;43.93,-5.22,)|
NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(NC(=O)CN4CCN(CC4)CC(=O)Nc4ccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)cc4)cc3)cc1 |r,wU:36.37,wD:11.10,(23.09,-3.13,;23.07,-4.67,;24.39,-5.45,;21.73,-5.42,;21.7,-6.96,;20.35,-7.7,;19.04,-6.92,;17.69,-7.67,;16.38,-6.89,;15.03,-7.63,;15.01,-9.17,;13.71,-6.85,;12.36,-7.6,;12.35,-9.14,;11.01,-9.9,;11,-11.44,;12.33,-12.22,;12.32,-13.75,;10.99,-14.51,;10.98,-16.04,;9.67,-13.73,;8.33,-14.49,;7.02,-13.72,;5.69,-14.47,;5.67,-16,;6.99,-16.78,;8.33,-16.03,;4.33,-16.75,;5.78,-11.52,;7.12,-12.28,;5.77,-9.99,;7.09,-9.21,;7.08,-7.67,;8.4,-6.89,;9.74,-7.65,;11.07,-6.87,;11.05,-5.33,;9.71,-4.57,;8.38,-5.36,;7.6,-6.68,;9.15,-6.68,;7.04,-4.59,;5.72,-5.37,;4.38,-4.6,;3.05,-5.37,;3.05,-6.92,;4.38,-7.69,;5.72,-6.92,;12.38,-4.54,;12.37,-3,;13.72,-5.31,;9.76,-9.18,;8.44,-9.97,;13.67,-11.45,;13.68,-9.91,;19.05,-5.39,;20.39,-4.63,)|
[H][C@@]12COc3cc(ccc3N1C(=O)O[C@H]2CNC(=O)c1ccc(Cl)s1)N1CCOCC1=O |r|
[H][C@@]12CSc3cc(ccc3N1C(=O)O[C@H]2CNC(=O)c1ccc(Cl)s1)N1CCOCC1=O |r|
[H][C@@]12CCc3cc(ccc3N1C(=O)O[C@H]2CNC(=O)c1ccc(Cl)s1)N1CCOCC1=O |r|
[H][C@@]12CNc3cc(ccc3N1C(=O)O[C@H]2CNC(=O)c1ccc(Cl)s1)N1CCOCC1=O |r|
NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](Cc1ccccc1)c1nc(c(Cl)[nH]1)-c1ccc2c(N)n[nH]c2c1
CC(C)N1CCC(CC1)C(=O)Nc1c(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)cc(Br)cc1C(=O)Nc1ccc(Cl)cn1 |r|
CC(C)N1CCC(CC1)C(=O)Nc1c(O)cc(Br)cc1C(=O)Nc1ccc(Cl)cn1
CN1CCCN(CC1)c1ccc(cc1)C(=O)Nc1c(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)cc(Cl)cc1C(=O)Nc1ccc(Cl)cn1 |r|
CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(nn2-c2cccc(CN)c2)C(F)(F)F)c(F)c1
CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
C[C@H]1C[C@H](N(C1)C(=O)[C@@H](CCc1ccc(O)cc1)NC(=O)[C@H](O)Cc1ccc(O)cc1)C(=O)NC(CCCNC(N)=N)C=O |r|
CC[C@H](C)[C@H](NC(=O)C(O)CCc1ccc(O)cc1)C(=O)N[C@H](CO)CCCNC(N)=N |r|
CC[C@H](C)[C@H](NC(=O)C(O)CCc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C=O |r|
COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)C(C)(C)CO
COC(=O)Nc1ccc(cc1)-c1c[nH]c(n1)[C@H](Cc1ccccc1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r|
Nc1n[nH]c2cc(ccc12)-c1nc([nH]c1Cl)[C@H](Cc1ccccc1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r|
NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](Cc1ccccc1)c1nc(c(Cl)[nH]1)-c1ccc2c(N)n[nH]c2c1 |r,wU:5.8,wD:2.1,11.11,(25.62,-40.59,;26.39,-39.26,;27.93,-39.26,;28.7,-40.59,;30.24,-40.59,;31.01,-39.26,;30.24,-37.93,;28.7,-37.93,;32.55,-39.26,;33.32,-40.59,;33.32,-37.93,;34.86,-37.93,;35.63,-39.26,;37.17,-39.26,;37.94,-37.93,;39.48,-37.93,;40.25,-39.26,;39.48,-40.59,;37.94,-40.59,;35.63,-36.59,;35.01,-35.19,;36.14,-34.15,;37.48,-34.93,;38.89,-34.3,;37.16,-36.43,;35.98,-32.62,;37.23,-31.72,;37.07,-30.19,;35.66,-29.56,;35.19,-28.09,;36.09,-26.85,;33.65,-28.09,;33.17,-29.56,;34.42,-30.47,;34.58,-32,)|
NCC12CCC(CC1)(CC2)C(=O)N[C@@H](Cc1ccccc1)c1nc(c(Cl)[nH]1)-c1ccc2c(N)n[nH]c2c1 |r|
NCc1ccc(cc1)C(=O)N[C@@H](Cc1ccccc1)c1nc(c(Cl)[nH]1)-c1ccc2c(N)n[nH]c2c1 |r|
NCc1ccc(C(=O)N[C@@H](Cc2ccccc2)c2nc(c(Cl)[nH]2)-c2ccc3c(N)n[nH]c3c2)c(F)c1 |r|
Nc1n[nH]c2cc(ccc12)-c1nc([nH]c1Cl)[C@H](Cc1ccccc1)NC(=O)C1CCc2c(N)nccc2C1 |r|
Nc1n[nH]c2cc(ccc12)-c1nc([nH]c1Cl)[C@H](Cc1ccccc1)NC(=O)c1ccc2c(N)nccc2c1 |r|
Nc1n[nH]c2cc(ccc12)C(=O)N[C@@H](Cc1ccccc1)c1nc(c(Cl)[nH]1)-c1ccc2c(N)n[nH]c2c1 |r|
Nc1n[nH]c2cc(ccc12)-c1nc([nH]c1Cl)[C@H](Cc1ccccc1)NC(=O)c1ccc2c(N)noc2c1 |r|
NC(=O)[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](Cc1ccccc1)c1nc(c(Cl)[nH]1)-c1ccc2c(N)n[nH]c2c1 |r,wU:12.13,3.2,wD:6.9,(-15.28,3.34,;-14.56,4.34,;-15.06,5.46,;-13.03,4.17,;-12.12,5.42,;-10.59,5.25,;-9.96,3.85,;-10.87,2.6,;-12.4,2.76,;-8.43,3.69,;-7.93,2.56,;-7.52,4.94,;-5.99,4.78,;-5.09,6.02,;-3.55,5.86,;-2.93,4.46,;-1.4,4.29,;-.49,5.54,;-1.12,6.95,;-2.65,7.11,;-5.37,3.37,;-3.86,3.05,;-3.71,1.53,;-5.1,.89,;-5.35,-.31,;-6.13,2.04,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.15,-2.41,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,)|
C[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](Cc1ccccc1)c1nc(c(Cl)[nH]1)-c1ccc2c(N)n[nH]c2c1 |r,wU:10.11,1.0,wD:4.7,(-14.25,4.3,;-13.03,4.17,;-12.12,5.42,;-10.59,5.25,;-9.96,3.85,;-10.87,2.6,;-12.4,2.76,;-8.43,3.69,;-7.93,2.56,;-7.52,4.94,;-5.99,4.78,;-5.09,6.02,;-3.55,5.86,;-2.93,4.46,;-1.4,4.29,;-.49,5.54,;-1.12,6.95,;-2.65,7.11,;-5.37,3.37,;-3.86,3.05,;-3.71,1.53,;-5.1,.89,;-5.35,-.31,;-6.13,2.04,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.15,-2.41,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,)|
NC(=O)c1ccc(cc1)C(=O)N[C@@H](Cc1ccccc1)c1nc(c(Cl)[nH]1)-c1ccc2c(N)n[nH]c2c1 |r|
Cc1ccc(cc1)C(=O)N[C@@H](Cc1ccccc1)c1nc(c(Cl)[nH]1)-c1ccc2c(N)n[nH]c2c1 |r|
Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)c2nc(c(Cl)[nH]2)-c2ccc3c(N)n[nH]c3c2)c(F)c1 |r|
COc1ccc(C(=O)N[C@@H](Cc2ccccc2)c2nc(c(Cl)[nH]2)-c2ccc3c(N)n[nH]c3c2)c(F)c1 |r|
COc1cc(F)c(C(=O)N[C@@H](Cc2ccccc2)c2nc(c(Cl)[nH]2)-c2ccc3c(N)n[nH]c3c2)c(F)c1 |r|
Nc1n[nH]c2cc(ccc12)-c1nc([nH]c1Cl)[C@H](Cc1ccccc1)NC(=O)c1cc(Cl)ccc1F |r|
CCOc1cc(OC(C)C)c(F)c(c1)C(Nc1ccc(cc1)C(N)=N)c1nc(c[nH]1)-c1ccccc1OC
CCOc1cc(OC(C)C)c(F)c(c1)C(Nc1ccc(cc1)C(N)=N)c1nc(c[nH]1)-c1cccc(OC)c1
CCOc1cc(OC(C)C)c(F)c(c1)C(Nc1ccc(cc1)C(N)=N)c1nc(c[nH]1)-c1ccc(OC)cc1
CCOc1cc(OC(C)C)c(F)c(c1)C(Nc1ccc(cc1)C(N)=N)c1nc(c[nH]1)-c1ccccc1C(C)=O
CCOc1cc(OC(C)C)c(F)c(c1)C(Nc1ccc(cc1)C(N)=N)c1nc(c[nH]1)-c1ccccc1C(=O)OC
CCOc1cc(OC(C)C)c(F)c(c1)C(Nc1ccc(cc1)C(N)=N)c1nc(c[nH]1)-c1ccccc1C(O)=O
CCOc1cc(OC(C)C)c(F)c(c1)C(Nc1ccc(cc1)C(N)=N)c1nc(c[nH]1)-c1ccccc1C(N)=O
CCOc1cc(OC(C)C)c(F)c(c1)C(Nc1ccc(cc1)C(N)=N)c1nc(c[nH]1)-c1ccccc1
CCOc1cc(OC(C)C)c(F)c(c1)C(Nc1ccc(cc1)C(N)=N)c1nc(c[nH]1)-c1ccccc1C
CCOc1cc(OC(C)C)c(F)c(c1)C(Nc1ccc(cc1)C(N)=N)c1nc(c[nH]1)-c1cccc(C)c1
CCOc1cc(OC(C)C)c(F)c(c1)C(Nc1ccc(cc1)C(N)=N)c1nc(c[nH]1)-c1ccc(C)cc1
B1([C@H](CC[C@H](O1)CC(=O)O)NC(=O)Cc2cccs2)O
CN1CCN(CC1)C(=O)C[C@H](NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1)c1nc(c(Cl)[nH]1)-c1ccc2[nH]c(=O)cc(O)c2c1 |r|
CCS(=O)(=O)c1ccc2NC(=O)CCCc3ccc(cc3C)[C@@H](Nc3ccc4c(N)nccc4c3)C(=O)NCc1c2 |r|
CCS(=O)(=O)c1ccc2NC(=O)CCCc3ccc(cc3)[C@@H](Nc3ccc(cc3)C(N)=N)C(=O)NCc1c2 |r|
CC(C)(C)S(=O)(=O)c1ccc2NC(=O)CCCc3ccc(cc3)C(Nc3ccc4c(N)nccc4c3)C(=O)NCc1c2
CC(C)S(=O)(=O)c1ccc2NC(=O)CCCc3ccc(cc3)[C@@H](Nc3ccc4c(N)nccc4c3)C(=O)NCc1c2 |r|
CCS(=O)(=O)c1ccc2NC(=O)CCCc3ccc(cc3)[C@@H](Nc3ccc4c(N)nccc4c3)C(=O)NCc1c2 |r|
c1cc2cc(c1)NC(=O)CCCc3ccc(cc3)[C@H](C(=O)NC2)Nc4ccc5c(c4)ccnc5N
NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](Cc1ccccc1)c1cc(ccn1)-c1ccc2c(N)n[nH]c2c1 |r,wU:2.1,wD:5.8,11.12,(2.94,9.71,;2.94,8.48,;1.61,7.7,;1.62,6.16,;.29,5.39,;-1.05,6.16,;-1.05,7.7,;.28,8.47,;-2.38,5.38,;-2.38,4.15,;-3.72,6.15,;-5.05,5.38,;-6.39,6.15,;-7.72,5.38,;-9.06,6.15,;-10.39,5.37,;-10.39,3.83,;-9.05,3.07,;-7.72,3.84,;-5.05,3.84,;-3.72,3.07,;-3.71,1.53,;-5.05,.76,;-6.38,1.53,;-6.38,3.07,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.15,-2.41,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,)|
CN1C(=O)c2ccc(OC(=O)CCc3ccc(N)nc3)cc2C1=O
COc1ccc(cc1OC)C(=O)Nc1cc(ccc1NC(=O)c1ccc(cc1)-n1ccccc1=O)C(N)=O
[H][C@@]12CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@]1([H])CSSC[C@]([H])(NC(=O)[C@@]([H])(NC(=O)CNC(=O)[C@H](CC(N)=O)NC2=O)[C@@H](C)O)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N2CCC[C@@]2([H])C(=O)N2CCC[C@@]2([H])C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N1 |r|
[H][C@@]12CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@]1([H])CSSC[C@]([H])(NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CC(O)=O)NC2=O)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N2CCC[C@@]2([H])C(=O)N2CCC[C@@]2([H])C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N1 |r|
[H][C@@]12CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@]1([H])CSSC[C@]([H])(NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)C[C@H](NC2=O)C(O)=O)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@@]2([H])C(=O)N2CCC[C@@]2([H])C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N1 |r|
[H][C@@]12CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@]1([H])CSSC[C@]([H])(NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)C[C@H](NC2=O)C(O)=O)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N2CCC[C@@]2([H])C(=O)N2CCC[C@@]2([H])C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N1 |r|
[H][C@@]12CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@]1([H])CSSC[C@]([H])(NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)CNC(=O)[C@H](CC(N)=O)NC2=O)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@@]2([H])C(=O)N2CCC[C@@]2([H])C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N1 |r|
[H][C@@]12CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@]1([H])CSSC[C@]([H])(NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)CNC(=O)[C@H](CC(N)=O)NC2=O)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N2CCC[C@@]2([H])C(=O)N2CCC[C@@]2([H])C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N1 |r|
[H][C@@]12CCCN1C(=O)[C@]1([H])CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@]([H])(NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CN)[C@@H](C)O |r|
[H][C@@]12CCCN1C(=O)[C@]1([H])CCCN1C(=O)[C@@]([H])(NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@]([H])(NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CN)[C@@H](C)O)[C@@H](C)CC |r|
NCCCC[C@H](NC(=O)[C@H](Cc1cccc(NC(N)=N)c1)NC(=O)c1ccccc1)C(=O)N[C@H](C(N)=O)c1ccccc1 |r|
NCCCC[C@H](NC(=O)[C@@H](NC(=O)c1ccccc1)c1cccc(NC(N)=N)c1)C(=O)N[C@H](C(N)=O)c1ccccc1 |r|
NC(=N)c1ccc2nc([nH]c2c1)-c1ccccc1O
NC(=N)c1ccc2[nH]c(cc2c1)-c1ccccc1O
CC(C)c1cccc(-c2cc3cc(ccc3[nH]2)C(N)=N)c1O
NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(n1)C1(O)CCCCC1
NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(n1)C1(F)CCCCC1
NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc([n+]1[O-])C1(O)CCCCC1
OC(=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)cc1 |r|
CN1CCN(CC1)C(=O)Nc1ccc(C[C@H](NC(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)C(=O)Nc2ccc(cc2)C(O)=O)cc1 |r|
c1ccc(cc1)C[C@@H](C(=O)NCCc2cc(ccc2n3cnnn3)Cl)NC(=O)c4ccc5c(c4)C(=CC(=O)N5)O
CCCCCCCCNC(=O)[C@H](Cc1ccc(OCc2cccc(OCc3ccncc3)c2)cc1)NC(=O)[C@H]1CC[C@H](CN)CC1 |r,wU:38.40,11.11,wD:41.44,(9.06,-17.57,;7.99,-16.96,;7.99,-15.42,;6.66,-14.64,;6.66,-13.1,;5.32,-12.33,;5.32,-10.79,;3.99,-10.02,;3.99,-8.48,;2.66,-7.71,;1.59,-8.32,;2.66,-6.16,;3.99,-5.4,;5.33,-6.17,;5.33,-7.71,;6.66,-8.48,;8,-7.71,;9.33,-8.48,;10.66,-7.71,;12,-8.47,;12,-10.01,;13.33,-10.78,;14.67,-10.01,;14.67,-8.47,;16,-7.7,;16,-6.16,;17.33,-5.39,;17.33,-3.85,;18.66,-3.08,;20,-3.85,;20,-5.39,;18.66,-6.16,;13.33,-7.7,;8,-6.17,;6.66,-5.4,;1.33,-5.39,;-.01,-6.16,;-.01,-7.39,;-1.34,-5.39,;-2.68,-6.15,;-4.01,-5.37,;-4,-3.83,;-5.34,-3.06,;-6.41,-3.67,;-2.67,-3.07,;-1.34,-3.85,)|
CCCCCCCCNC(=O)[C@H](Cc1ccc(OCc2ccccc2C(=O)OC)cc1)NC(=O)[C@H]1CC[C@H](CN)CC1 |r,wU:34.35,11.11,wD:37.39,(9.06,-17.57,;7.99,-16.96,;7.99,-15.41,;6.66,-14.64,;6.66,-13.1,;5.32,-12.33,;5.32,-10.79,;3.99,-10.02,;3.99,-8.48,;2.66,-7.71,;1.59,-8.32,;2.66,-6.16,;3.99,-5.4,;5.33,-6.17,;5.33,-7.71,;6.66,-8.48,;7.99,-7.71,;9.33,-8.48,;10.66,-7.71,;12,-8.47,;12,-10.01,;13.33,-10.78,;14.67,-10.01,;14.67,-8.47,;13.33,-7.7,;13.34,-6.16,;12.27,-5.55,;14.67,-5.4,;14.67,-4.16,;7.99,-6.17,;6.66,-5.4,;1.33,-5.39,;-.01,-6.16,;-.01,-7.39,;-1.34,-5.39,;-2.68,-6.15,;-4.01,-5.37,;-4,-3.83,;-5.34,-3.06,;-6.41,-3.67,;-2.67,-3.07,;-1.34,-3.85,)|
CCCCCCCCNC(=O)[C@H](Cc1ccc(OCc2cccc3cccnc23)cc1)NC(=O)[C@H]1CC[C@H](CN)CC1 |r,wU:34.36,11.11,wD:37.40,(5.29,.53,;5.3,-.7,;3.97,-1.48,;3.99,-3.02,;2.66,-3.8,;2.67,-5.35,;1.35,-6.13,;1.36,-7.67,;.03,-8.45,;.05,-9.99,;1.12,-10.6,;-1.28,-10.78,;-2.62,-10.02,;-2.63,-8.48,;-3.97,-7.71,;-3.98,-6.17,;-2.65,-5.4,;-2.66,-3.85,;-1.33,-3.08,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;2.66,-.77,;1.33,-1.54,;,-.77,;-1.31,-6.16,;-1.3,-7.7,;-1.27,-12.32,;.07,-13.08,;1.13,-12.45,;.09,-14.62,;1.42,-15.38,;1.43,-16.92,;.1,-17.7,;.12,-19.24,;1.19,-19.85,;-1.24,-16.94,;-1.24,-15.4,)|
CCCCCCCCNC(=O)[C@H](Cc1ccc(cc1)OCc2ccc3ccccc3n2)NC(=O)C4CCC(CC4)CN
CCCCCCCCNC(=O)[C@H](Cc1ccc(OCc2cccc(c2)-c2ccccc2)cc1)NC(=O)[C@H]1CC[C@H](CN)CC1 |r,wU:39.42,wD:36.38,11.11,(17.08,-3.75,;16.01,-3.13,;14.67,-3.89,;13.34,-3.12,;12,-3.88,;10.67,-3.11,;9.34,-3.88,;8,-3.1,;6.67,-3.87,;5.33,-3.09,;5.34,-1.86,;4,-3.86,;3.99,-5.4,;5.33,-6.17,;5.33,-7.71,;6.66,-8.48,;7.99,-7.71,;9.33,-8.48,;10.66,-7.71,;12,-8.47,;12,-10.01,;13.33,-10.78,;14.67,-10.01,;14.67,-8.47,;13.33,-7.7,;16,-7.7,;16,-6.16,;17.34,-5.4,;18.67,-6.17,;18.67,-7.71,;17.33,-8.48,;8,-6.17,;6.66,-5.4,;2.66,-3.08,;2.67,-1.54,;3.73,-.93,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-2.66,2.78,;-1.33,-.77,;,-1.54,)|
CCCCCCCCNC(=O)[C@H](Cc1ccc(OCc2ccc(cc2)C(=O)OCC)cc1)NC(=O)[C@H]1CC[C@H](CN)CC1 |r,wU:38.40,wD:35.36,11.11,(17.08,-3.75,;16.01,-3.13,;14.67,-3.89,;13.34,-3.12,;12,-3.88,;10.67,-3.11,;9.34,-3.88,;8,-3.1,;6.67,-3.87,;5.33,-3.09,;5.34,-1.86,;4,-3.86,;3.99,-5.4,;5.33,-6.17,;5.33,-7.71,;6.66,-8.48,;7.99,-7.71,;9.33,-8.48,;10.66,-7.71,;12,-8.47,;13.33,-7.7,;14.67,-8.47,;14.67,-10.01,;13.33,-10.78,;12,-10.01,;16,-10.79,;17.07,-10.17,;16,-12.33,;17.33,-13.1,;17.33,-14.33,;7.99,-6.17,;6.66,-5.4,;2.66,-3.08,;2.67,-1.54,;3.73,-.93,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-2.66,2.78,;-1.33,-.77,;,-1.54,)|
CCCCCCCCNC(=O)[C@H](Cc1ccc(OCc2ccc(cc2)C(O)=O)cc1)NC(=O)[C@H]1CC[C@H](CN)CC1 |r,wU:36.38,wD:33.34,11.11,(17.08,-3.75,;16.01,-3.13,;14.67,-3.89,;13.34,-3.12,;12,-3.88,;10.67,-3.11,;9.34,-3.88,;8,-3.1,;6.67,-3.87,;5.33,-3.09,;5.34,-1.86,;4,-3.86,;3.99,-5.4,;5.33,-6.17,;5.33,-7.71,;6.66,-8.48,;7.99,-7.71,;9.33,-8.48,;10.66,-7.71,;12,-8.47,;13.33,-7.7,;14.67,-8.47,;14.67,-10.01,;13.33,-10.78,;12,-10.01,;16,-10.79,;17.07,-10.17,;16,-12.02,;7.99,-6.17,;6.66,-5.4,;2.66,-3.08,;2.67,-1.54,;3.73,-.93,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-2.66,2.78,;-1.33,-.77,;,-1.54,)|
CCCCCCCCNC(=O)[C@H](Cc1ccc(OCc2cccc3ccccc23)cc1)NC(=O)[C@H]1CC[C@H](CN)CC1 |r,wU:34.36,11.11,wD:37.40,(5.29,.53,;5.3,-.7,;3.97,-1.48,;3.99,-3.02,;2.66,-3.8,;2.67,-5.35,;1.35,-6.13,;1.36,-7.67,;.03,-8.45,;.05,-9.99,;1.12,-10.6,;-1.28,-10.78,;-2.62,-10.02,;-2.63,-8.48,;-3.97,-7.71,;-3.98,-6.17,;-2.65,-5.4,;-2.66,-3.85,;-1.33,-3.08,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;2.66,-.77,;1.33,-1.54,;,-.77,;-1.31,-6.16,;-1.3,-7.7,;-1.27,-12.32,;.07,-13.08,;1.13,-12.45,;.09,-14.62,;1.42,-15.38,;1.43,-16.92,;.1,-17.7,;.12,-19.24,;1.19,-19.85,;-1.24,-16.94,;-1.24,-15.4,)|
CCCCCCCCNC(=O)[C@H](Cc1ccc(OCc2ccc3ccccc3c2)cc1)NC(=O)[C@H]1CC[C@H](CN)CC1 |r,wU:37.40,wD:34.36,11.11,(2.4,5.49,;1.33,6.11,;-.01,5.35,;-1.34,6.12,;-2.68,5.36,;-4.01,6.13,;-5.34,5.37,;-6.68,6.14,;-8.01,5.38,;-9.35,6.15,;-9.34,7.38,;-10.68,5.39,;-10.69,3.85,;-9.35,3.07,;-9.35,1.53,;-8.02,.76,;-6.69,1.53,;-5.35,.76,;-4.02,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.66,-.77,;2.66,.77,;1.33,1.54,;,.77,;-1.33,1.54,;-6.69,3.07,;-8.02,3.84,;-12.02,6.16,;-12.01,7.7,;-10.95,8.31,;-13.35,8.47,;-13.35,10.01,;-14.68,10.78,;-16.01,10.01,;-17.35,10.79,;-17.34,12.02,;-16.01,8.47,;-14.68,7.7,)|
CCCCCCCCNC(=O)[C@H](Cc1ccc(OCc2cccc(c2)C(=O)OCC)cc1)NC(=O)[C@H]1CC[C@H](CN)CC1 |r,wU:38.40,wD:35.36,11.11,(17.08,-3.75,;16.01,-3.13,;14.67,-3.89,;13.34,-3.12,;12,-3.88,;10.67,-3.11,;9.34,-3.88,;8,-3.1,;6.67,-3.87,;5.33,-3.09,;5.34,-1.86,;4,-3.86,;3.99,-5.4,;5.33,-6.17,;5.33,-7.71,;6.66,-8.48,;7.99,-7.71,;9.33,-8.48,;10.66,-7.71,;12,-8.47,;12,-10.01,;13.33,-10.78,;14.67,-10.01,;14.67,-8.47,;13.33,-7.7,;16,-7.71,;16.01,-6.47,;17.34,-8.48,;18.67,-7.71,;19.74,-8.33,;7.99,-6.17,;6.66,-5.4,;2.66,-3.08,;2.67,-1.54,;3.73,-.93,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-2.66,2.78,;-1.33,-.77,;,-1.54,)|
CCCCCCCCNC(=O)[C@H](Cc1ccc(OCc2cccc(c2)C(O)=O)cc1)NC(=O)[C@H]1CC[C@H](CN)CC1 |r,wU:36.38,wD:33.34,11.11,(17.08,-3.75,;16.01,-3.13,;14.67,-3.89,;13.34,-3.12,;12,-3.88,;10.67,-3.11,;9.34,-3.88,;8,-3.1,;6.67,-3.87,;5.33,-3.09,;5.34,-1.86,;4,-3.86,;3.99,-5.4,;5.33,-6.17,;5.33,-7.71,;6.66,-8.48,;7.99,-7.71,;9.33,-8.48,;10.66,-7.71,;12,-8.47,;12,-10.01,;13.33,-10.78,;14.67,-10.01,;14.67,-8.47,;13.33,-7.7,;16,-7.71,;16.01,-6.47,;17.07,-8.32,;7.99,-6.17,;6.66,-5.4,;2.66,-3.08,;2.67,-1.54,;3.73,-.93,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-2.66,2.78,;-1.33,-.77,;,-1.54,)|
CCCCCCCCNC(=O)[C@H](Cc1ccc(cc1)OCc2ccncc2)NC(=O)C3CCC(CC3)CN
CCCCCCCCNC(=O)[C@H](Cc1ccc(OCc2cccc(N)c2)cc1)NC(=O)[C@H]1CC[C@H](CN)CC1 |r,wU:34.36,wD:31.32,11.11,(17.08,-3.75,;16.01,-3.13,;14.67,-3.89,;13.34,-3.12,;12,-3.88,;10.67,-3.11,;9.34,-3.88,;8,-3.1,;6.67,-3.87,;5.33,-3.09,;5.34,-1.86,;4,-3.86,;3.99,-5.4,;5.33,-6.17,;5.33,-7.71,;6.66,-8.48,;8,-7.71,;9.33,-8.48,;10.66,-7.71,;12,-8.47,;12,-10.01,;13.33,-10.78,;14.67,-10.01,;14.67,-8.47,;15.73,-7.86,;13.33,-7.7,;8,-6.17,;6.66,-5.4,;2.66,-3.08,;2.67,-1.54,;3.73,-.93,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-2.66,2.78,;-1.33,-.77,;,-1.54,)|
CCCCCCCCNC(=O)[C@H](Cc1ccc(OCc2ccccc2C(F)(F)F)cc1)NC(=O)[C@H]1CC[C@H](CN)CC1 |r,wU:37.39,wD:34.35,11.11,(17.08,-3.75,;16.01,-3.13,;14.67,-3.89,;13.34,-3.12,;12,-3.88,;10.67,-3.11,;9.34,-3.88,;8,-3.1,;6.67,-3.87,;5.33,-3.09,;5.34,-1.86,;4,-3.86,;3.99,-5.4,;5.33,-6.17,;5.33,-7.71,;6.66,-8.48,;7.99,-7.71,;9.33,-8.48,;10.66,-7.71,;12,-8.47,;12,-10.01,;13.33,-10.78,;14.67,-10.01,;14.67,-8.47,;13.33,-7.7,;13.33,-6.16,;12.27,-5.55,;14.4,-5.55,;13.33,-4.93,;7.99,-6.17,;6.66,-5.4,;2.66,-3.08,;2.67,-1.54,;3.73,-.93,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-2.66,2.78,;-1.33,-.77,;,-1.54,)|
CCCCCCCCNC(=O)[C@H](Cc1ccc(OCc2cccc(c2)C(F)(F)F)cc1)NC(=O)[C@H]1CC[C@H](CN)CC1 |r,wU:37.39,wD:34.35,11.11,(17.08,-3.75,;16.01,-3.13,;14.67,-3.89,;13.34,-3.12,;12,-3.88,;10.67,-3.11,;9.34,-3.88,;8,-3.1,;6.67,-3.87,;5.33,-3.09,;5.34,-1.86,;4,-3.86,;3.99,-5.4,;5.33,-6.17,;5.33,-7.71,;6.66,-8.48,;7.99,-7.71,;9.33,-8.48,;10.66,-7.71,;12,-8.47,;12,-10.01,;13.33,-10.78,;14.67,-10.01,;14.67,-8.47,;13.33,-7.7,;16,-7.7,;16,-6.47,;17.07,-8.32,;17.07,-7.09,;7.99,-6.17,;6.66,-5.4,;2.66,-3.08,;2.67,-1.54,;3.73,-.93,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-2.66,2.78,;-1.33,-.77,;,-1.54,)|
CCCCCCCCNC(=O)[C@H](Cc1ccc(OCc2ccc(cc2)C(F)(F)F)cc1)NC(=O)[C@H]1CC[C@H](CN)CC1 |r,wU:37.39,wD:34.35,11.11,(17.08,-3.75,;16.01,-3.13,;14.67,-3.89,;13.34,-3.12,;12,-3.88,;10.67,-3.11,;9.34,-3.88,;8,-3.1,;6.67,-3.87,;5.33,-3.09,;5.34,-1.86,;4,-3.86,;3.99,-5.4,;5.33,-6.17,;5.33,-7.71,;6.66,-8.48,;7.99,-7.71,;9.33,-8.48,;10.66,-7.71,;12,-8.47,;13.33,-7.7,;14.67,-8.47,;14.67,-10.01,;13.33,-10.78,;12,-10.01,;16,-10.78,;17.07,-10.17,;16,-12.02,;17.07,-11.4,;7.99,-6.17,;6.66,-5.4,;2.66,-3.08,;2.67,-1.54,;3.73,-.93,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-2.66,2.78,;-1.33,-.77,;,-1.54,)|
CCCCCCCCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H]1CC[C@H](CN)CC1 |r,wU:26.27,wD:23.23,11.11,(17.08,-3.75,;16.01,-3.13,;14.67,-3.89,;13.34,-3.12,;12,-3.88,;10.67,-3.11,;9.34,-3.88,;8,-3.1,;6.67,-3.87,;5.33,-3.09,;5.34,-1.86,;4,-3.86,;3.99,-5.4,;5.33,-6.17,;5.33,-7.71,;6.66,-8.48,;7.99,-7.71,;9.06,-8.33,;7.99,-6.17,;6.66,-5.4,;2.66,-3.08,;2.67,-1.54,;3.73,-.93,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-2.66,2.78,;-1.33,-.77,;,-1.54,)|
CCCCCCCCNC(=O)[C@H](Cc1ccc(OC(C)(C)C)cc1)NC(=O)[C@H]1CC[C@H](CN)CC1 |r,wU:30.31,wD:27.27,11.11,(17.08,-3.75,;16.01,-3.13,;14.67,-3.89,;13.34,-3.12,;12,-3.88,;10.67,-3.11,;9.34,-3.88,;8,-3.1,;6.67,-3.87,;5.33,-3.09,;5.34,-1.86,;4,-3.86,;3.99,-5.4,;5.33,-6.17,;5.33,-7.71,;6.66,-8.48,;8,-7.71,;9.33,-8.48,;10.66,-7.71,;11.73,-8.32,;10.66,-6.47,;11.73,-7.09,;8,-6.17,;6.66,-5.4,;2.66,-3.08,;2.67,-1.54,;3.73,-.93,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-2.66,2.78,;-1.33,-.77,;,-1.54,)|
CCCCCCCCNC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@H]1CC[C@H](CN)CC1 |r,wU:33.35,wD:30.31,11.11,(17.08,-3.75,;16.01,-3.13,;14.67,-3.89,;13.34,-3.12,;12,-3.88,;10.67,-3.11,;9.34,-3.88,;8,-3.1,;6.67,-3.87,;5.33,-3.09,;5.34,-1.86,;4,-3.86,;3.99,-5.4,;5.33,-6.17,;5.33,-7.71,;6.66,-8.48,;8,-7.71,;9.33,-8.48,;10.66,-7.71,;12,-8.47,;13.33,-7.7,;14.67,-8.47,;14.67,-10.01,;13.33,-10.78,;12,-10.01,;8,-6.17,;6.66,-5.4,;2.66,-3.08,;2.67,-1.54,;3.73,-.93,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-2.66,2.78,;-1.33,-.77,;,-1.54,)|
CCCCCCCCNC(=O)[C@H](Cc1ccc(OCc2cccc(c2)[N+]([O-])=O)cc1)NC(=O)[C@H]1CC[C@H](CN)CC1 |r,wU:36.38,wD:33.34,11.11,(17.08,-3.75,;16.01,-3.13,;14.67,-3.89,;13.34,-3.12,;12,-3.88,;10.67,-3.11,;9.34,-3.88,;8,-3.1,;6.67,-3.87,;5.33,-3.09,;5.34,-1.86,;4,-3.86,;3.99,-5.4,;5.33,-6.17,;5.33,-7.71,;6.66,-8.48,;8,-7.71,;9.33,-8.48,;10.66,-7.71,;12,-8.47,;12,-10.01,;13.33,-10.78,;14.67,-10.01,;14.67,-8.47,;13.33,-7.7,;16,-7.71,;16.01,-6.48,;17.07,-8.32,;8,-6.17,;6.66,-5.4,;2.66,-3.08,;2.67,-1.54,;3.73,-.93,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-2.66,2.78,;-1.33,-.77,;,-1.54,)|
COC(=O)Nc1ccc(cc1)-c1ccnc(c1)[C@H](Cc1ccccc1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r|
COC(=O)Nc1ccc(cc1)c2ccnc(c2)[C@H](Cc3ccccc3)NC(=O)C4CCC(CC4)CN
c1ccc(cc1)C[C@@H](c2cc(ccn2)c3ccc4c(c3)c(n[nH]4)O)NC(=O)C5CCC(CC5)CN
NC(=N)c1cccc(c1)N1CC(CN(CC2CCN(Cc3ccccc3)CC2)C1=O)NC(=O)Cc1ccccc1
NC(=N)c1cccc(NC(=O)NC2CCN(Cc3ccccc3)CC2)c1
NC(=N)c1cccc(c1)N1CC(CN(CC2CCN(Cc3ccccc3)CC2)C1=O)NS(=O)(=O)Cc1ccccc1
NC(=N)c1cccc(c1)N1CC(CN(CC2CCN(Cc3ccccc3)CC2)C1=O)NS(=O)(=O)c1ccccc1
CS(=O)(=O)NC1CN(CC2CCN(Cc3ccccc3)CC2)C(=O)N(C1)c1cccc(c1)C(N)=N
CC1CN(C2CCN(Cc3ccccc3)CC2)C(=O)N(C1)c1cccc(c1)C(N)=N
NC(=N)c1cccc(c1)N1CC(CNC(=O)Cc2ccccc2)CN(CC2CCN(Cc3ccccc3)CC2)C1=O
CC1CN(CCC2CCN(Cc3ccccc3)CC2)C(=O)N(C1)c1cccc(c1)C(N)=N
CC1CN(C2CCN(Cc3ccccc3)CC2)C(=O)N(C1)c1ccc(cc1)C(N)=N
CC1CN(Cc2cccc(c2)C(N)=N)C(=O)N(C1)C1CCN(Cc2ccccc2)CC1
CC1CN(Cc2ccc(cc2)C(N)=N)C(=O)N(C1)C1CCN(Cc2ccccc2)CC1
CC1CN(CC2CCN(Cc3ccccc3)CC2)C(=O)N(C1)c1cccc(c1)C(N)=N
COC1CN(CC2CCN(Cc3ccccc3)CC2)C(=O)N(C1)c1cccc(c1)C(N)=N
COCC1CN(CC2CCN(Cc3ccccc3)CC2)C(=O)N(C1)c1cccc(c1)C(N)=N
NC(=N)c1cccc(c1)N1CC(CN(CC2CCN(Cc3ccccc3)CC2)C1=O)OCc1ccccc1
NC(=N)c1cccc(c1)N1CC(COCc2ccccc2)CN(CC2CCN(Cc3ccccc3)CC2)C1=O
NC(=N)c1cccc(c1)N1CC(O)CN(CC2CCN(Cc3ccccc3)CC2)C1=O
NC(=N)c1cccc(c1)N1CC(CO)CN(CC2CCN(Cc3ccccc3)CC2)C1=O
NC(=N)c1cccc(c1)N1CC(CNC(=O)c2ccccc2)CN(CC2CCN(Cc3ccccc3)CC2)C1=O
CC1(C)COC(=O)Nc2cccc(CNC(=O)[C@@H](Nc3ccc4c(N)nccc4c3)c3ccc1cc3)c2 |r|
CN1Cc2cccc(NC(=O)OCC(C)(C)c3ccc(cc3)[C@@H](Nc3ccc4c(N)nccc4c3)C1=O)c2 |r|
CC1(C)COC(=O)Nc2cccc(CNC(=O)[C@H](Nc3ccc4c(N)nccc4c3)c3ccc1cc3)c2 |r|
CN1Cc2cccc(NC(=O)OCC(C)(C)c3ccc(cc3)[C@H](Nc3ccc4c(N)nccc4c3)C1=O)c2 |r|
CC1COC(=O)Nc2cccc(CNC(=O)C(Nc3ccc4c(N)nccc4c3)c3ccc1cc3)c2
Nc1nccc2cc(NC3c4ccc(CCOC(=O)Nc5cccc(CNC3=O)c5)cc4)ccc12
C[C@@H]1COC(=O)Nc2cccc(CNC(=O)C(Nc3ccc4c(N)nccc4c3)c3ccc1cc3)c2 |r|
C[C@H]1COC(=O)Nc2cccc(CNC(=O)C(Nc3ccc4c(N)nccc4c3)c3ccc1cc3)c2 |r|
NC(=N)c1ccc(NCCCCCCCCNc2ccc(cc2)C(N)=N)cc1
NC(=N)c1ccc(NCCCCCCCNc2ccc(cc2)C(N)=N)cc1
NC(=N)c1ccc(cc1)N1CCCN(CC1)c1ccc(cc1)C(N)=N
NC(=N)c1ccc(cc1)N1CCN(CC1)c1ccc(cc1)C(N)=N
NC(=N)c1ccc(OCc2ccc(COc3ccc(cc3)C(N)=N)cc2)cc1
NC(=N)c1ccc(OCc2ccccc2COc2ccc(cc2)C(N)=N)cc1
NC(=N)c1ccc(NC(=O)C(=O)Nc2ccc(cc2)C(N)=N)cc1
c1ccc(cc1)C(=[NH2+])N
Cc1ccc(cc1)C(N)=[NH2+]
CCc1ccc(cc1)C(N)=[NH2+]
CCCc1ccc(cc1)C(N)=[NH2+]
CC(C)c1ccc(cc1)C(N)=[NH2+]
CCCCc1ccc(cc1)C(N)=[NH2+]
CCCCCc1ccc(cc1)C(N)=[NH2+]
CCCCCCc1ccc(cc1)C(N)=[NH2+]