Compound Name

SMILES String

Cc1cc(C(=O)NCc2ccc(CN)cc2)c(C)n1Cc1csc(n1)-c1ccccc1

Cc1cc(C(=O)NCc2ccc(CN)cc2C)c(C)n1Cc1csc(n1)-c1ccccc1

NCc1ccc(CNC(=O)c2cn(Cc3csc(n3)-c3ccccc3)nc2C(F)(F)F)cc1

NCc1ccc(CNC(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)cc1

NC(=[NH2+])c1ccc2[nH]c(cc2c1)-c1cccc(-c2ccccc2)c1[O-]

NC(=N)c1ccc2nc([nH]c2c1)-c1cccc(-c2ccccc2)c1O

NC(=[NH2+])c1ccc2nc([nH]c2c1)-c1cccc(OC2CCCC2)c1[O-]

CC(C)COc1cccc(-c2nc3ccc(cc3[nH]2)C(N)=[NH2+])c1[O-]

NC(=[NH2+])c1ccc2[nH]c(cc2c1)-c1cc(Cl)cc(Cl)c1O

NC(=[NH2+])c1cc2nc([nH]c2cc1F)-c1cccc(-c2ccccc2)c1O

CC(C)COc1cccc(-c2nc3cc(F)c(cc3[nH]2)C(N)=[NH2+])c1[O-]

C[C@H]1CCCC[C@@H]1Oc1cccc(-c2cc3cc(C(N)=N)c(F)cc3[nH]2)c1O |r|

NC(=[NH2+])c1cc2cc([nH]c2cc1F)-c1cccc(-c2ccccc2)c1O

NC(=[NH2+])c1cc2cc([nH]c2cc1Cl)-c1cc(Cl)cc(Cl)c1O

NC(=[NH2+])c1cc2cc([nH]c2cc1Cl)-c1cccc(-c2ccccc2)c1O

NC(=[NH2+])c1cc2[nH]c(nc2cc1Cl)-c1cccc(-c2ccccc2)c1[O-]

CC(C)COc1cccc(-c2nc3cc(Cl)c(cc3[nH]2)C(N)=[NH2+])c1[O-]

[H]/N=C(\c1ccc(cc1)NC(=O)c2ccccc2O)/N

Cc1cc(Br)c(O)c(c1)C(=O)Nc1ccc(cc1)C(N)=N

Cc1cc(I)c(O)c(c1)C(=O)Nc1ccc(cc1)C(N)=N

Cc1cc(I)c(O)c(c1)C(=O)Nc1ccc(C(N)=N)c(F)c1

[H]/N=C(\c1ccc(cc1Cl)NC(=O)c2cc(cc(c2O)I)C)/N

NC(=[NH2+])c1cc2nc([nH]c2cc1F)-c1cccc(-c2ccccc2)c1[O-]

C[C@H]1CCCC[C@@H]1Oc1cccc(-c2nc3cc(C(N)=[NH2+])c(F)cc3[nH]2)c1[O-] |r|

[#7]\[#6](-[#7])=[#7+]/c1ccc(-[#7]-[#6](=O)-c2cc3ccccc3cc2-[#8])cn1

[#7]\[#6](-[#7])=[#7+]/c1ccc(-[#7]-[#6](=O)-c2cc3ccccc3cc2-[#8])cc1

[#7]\[#6](-[#7])=[#7+]/c1ccc(-[#7]-[#6](=O)-c2cc3ccccc3c(-[#8])c2-[#8])cn1

Nc1[nH]c2ccc(NC(=O)c3cc4ccccc4cc3O)cc2[nH+]1

Nc1[nH]c2ccc(NC(=O)c3cccc(-c4ccccc4)c3O)cc2[nH+]1

CCOc1cc(OCC)c(F)c(c1)[C@@H](Nc1ccc(C(N)=N)c(O)c1)C(=O)NS(=O)(=O)c1cccc(N)c1 |r|

[#7]\[#6](-[#7])=[#7]/c1nccc2ccc(cc12)S([#7])(=O)=O

[#7]\[#6](-[#7])=[#7]/c1nccc2ccc(cc12)S(=O)(=O)[#7]-c1ccccc1

[#7]\[#6](-[#7])=[#7]/c1ncc(Cl)c2ccc(cc12)S([#7])(=O)=O

[#7]\[#6](-[#7])=[#7]/c1ncc(Cl)c2ccc(cc12)S(=O)(=O)[#7]-[#6]-1-[#6]-[#6]-[#6]-[#6]-1

[#7]\[#6](-[#7])=[#7]/c1ncc(Cl)c2ccc(cc12)S(=O)(=O)[#7]-1-[#6]-[#6]-[#6]-[#6]-1

[#7]\[#6](-[#7])=[#7]/c1ncc(Cl)c2ccc(cc12)S(=O)(=O)[#7]-c1ccccc1-[#6](-[#8])=O

[#7]\[#6](-[#7])=[#7]/c1ncc(Cl)c2ccc(cc12)S(=O)(=O)[#7]-c1cccc(c1)-[#6](-[#8])=O

[#7]\[#6](-[#7])=[#7]/c1ncc(Cl)c2ccc(cc12)S(=O)(=O)[#7]-[#6]-[#6](-[#8])=O

[#7]\[#6](-[#7])=[#7]/c1ncc(Cl)c2ccc(cc12)S(=O)(=O)[#7]-[#6]-[#6]-[#6](-[#8])=O

[#6]-[#7](-[#6]-[#6](-[#8])=O)S(=O)(=O)c1ccc2c(Cl)cnc(\[#7]=[#6](/[#7])-[#7])c2c1

[#7]\[#6](-[#7])=[#7]/c1ncc(Cl)c2ccc(cc12)S(=O)(=O)[#7](-[#6]-[#6](-[#8])=O)-c1ccccc1

[#7]\[#6](-[#7])=[#7]/c1ncc(Cl)c2ccc(cc12)S(=O)(=O)[#7](-[#6]-[#6](-[#8])=O)-[#6]-c1ccccc1

[#7]\[#6](-[#7])=[#7]/c1ncc(Cl)c2ccc(cc12)S(=O)(=O)[#7](-[#6]-[#6]-1-[#6]-[#6]-[#6]-[#6]-1)-[#6]-[#6](-[#8])=O

[#6]-[#6@H](-[#7]S(=O)(=O)c1ccc2c(Cl)cnc(\[#7]=[#6](/[#7])-[#7])c2c1)-[#6](-[#8])=O |r|

[#6]-[#6](-[#6])-[#6@@H](-[#7]S(=O)(=O)c1ccc2c(Cl)cnc(\[#7]=[#6](/[#7])-[#7])c2c1)-[#6](-[#8])=O |r|

[#6]-[#6](-[#6])-[#6@H](-[#7]S(=O)(=O)c1ccc2c(Cl)cnc(\[#7]=[#6](/[#7])-[#7])c2c1)-[#6](-[#8])=O |r|

[#6]C([#6])([#6])[#6@@H](-[#7]S(=O)(=O)c1ccc2c(Cl)cnc(\[#7]=[#6](/[#7])-[#7])c2c1)-[#6](-[#8])=O |r|

[#6]C([#6])([#7]S(=O)(=O)c1ccc2c(Cl)cnc(\[#7]=[#6](/[#7])-[#7])c2c1)[#6](-[#8])=O

[#7]\[#6](-[#7])=[#7]/c1ncc(Cl)c2ccc(cc12)S(=O)(=O)[#7]C1([#6]-[#6]-[#6]1)[#6](-[#8])=O

[#7]\[#6](-[#7])=[#7]/c1ncc(Cl)c2ccc(cc12)S(=O)(=O)[#7]C1([#6]-[#6]-[#6]-[#6]1)[#6](-[#8])=O

[#7]\[#6](-[#7])=[#7]/c1ncc(Cl)c2ccc(cc12)S(=O)(=O)[#7]C1([#6]-[#6]-[#6]-[#6]-[#6]1)[#6](-[#8])=O

[#7]\[#6](-[#7])=[#7]/c1ncc(Cl)c2ccc(cc12)S(=O)(=O)[#7]C1([#6]-[#6]-[#8]-[#6]-[#6]1)[#6](-[#8])=O

[#6]-[#7]-1-[#6]-[#6]C([#6]-[#6]-1)([#7]S(=O)(=O)c1ccc2c(Cl)cnc(\[#7]=[#6](/[#7])-[#7])c2c1)[#6](-[#8])=O

[#7]\[#6](-[#7])=[#7]/c1ncc(Cl)c2ccc(cc12)S(=O)(=O)[#7]-1-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](-[#8])=O |r|

[#7]\[#6](-[#7])=[#7]/c1ncc(Cl)c2ccc(cc12)S(=O)(=O)[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](-[#8])=O |r|

[#7]\[#6](-[#7])=[#7]/c1ncc(Cl)c2ccc(cc12)S(=O)(=O)[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](-[#8])=O |r|

[#6]-[#7](-[#6])-[#6]-[#6]-[#7](C1([#6]-[#6]-[#6]-[#6]1)[#6](-[#8])=O)S(=O)(=O)c1ccc2c(Cl)cnc(\[#7]=[#6](/[#7])-[#7])c2c1

[#6]-[#6]-[#8]-[#6](=O)C1([#6]-[#6]-[#6]-[#6]1)[#7]S(=O)(=O)c1ccc2c(Cl)cnc(\[#7]=[#6](/[#7])-[#7])c2c1

[#6]-[#7](-[#6])-[#6]-[#6]-[#7]-[#6](=O)C1([#6]-[#6]-[#6]-[#6]1)[#7]S(=O)(=O)c1ccc2c(Cl)cnc(\[#7]=[#6](/[#7])-[#7])c2c1

[#7]\[#6](-[#7])=[#7]/c1ncc(Cl)c2ccc(cc12)S(=O)(=O)[#7]C1([#6]-[#6]-[#6]-[#6]1)[#6](=O)-[#7]-[#6]-[#6]-[#8]

[#7]\[#6](-[#7])=[#7]/c1ncc(Cl)c2ccc(cc12)S(=O)(=O)[#7]C1([#6]-[#6]-[#6]-[#6]1)[#6](=O)-[#7]-1-[#6]-[#6]-[#8]-[#6]-[#6]-1

[#6]-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)C1([#6]-[#6]-[#6]-[#6]1)[#7]S(=O)(=O)c1ccc2c(Cl)cnc(\[#7]=[#6](/[#7])-[#7])c2c1

[H]/N=C(/c1ccc(cc1)NCc2nc3cc(ccc3n2C)C4(CC4)/C(=N\OCC(=O)OCC)/c5ccccn5)\N

[H]/N=C(/c1ccc(cc1)NCc2nc3cc(ccc3n2C)Cn4c(nc5c4cccc5)C)\N

Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C1(CC1)C(=O)N1CCCC1

[#6]-[#6](-[#6])-c1cc(-[#6](-[#6])-[#6])c(c(c1)-[#6](-[#6])-[#6])S(=O)(=O)[#7]-[#6@@H](-[#6]-c1cccc(c1)-[#6](-[#7])=[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#6]\[#7]=[#6](/[#7])-[#7] |r|

CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)C(=O)CCN |r|

[#6]-[#6](-[#6])-c1cc(-[#6](-[#6])-[#6])c(c(c1)-[#6](-[#6])-[#6])S(=O)(=O)[#7]-[#6@@H](-[#6]-c1cccc(c1)-[#6](-[#7])=[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7] |r|

CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)C(=O)CCCN |r|

[#6]-[#6](-[#6])-c1cc(-[#6](-[#6])-[#6])c(c(c1)-[#6](-[#6])-[#6])S(=O)(=O)[#7]-[#6](-[#6]-c1cccc(c1)-[#6](-[#7])=[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]\[#7]=[#6](/[#7])-[#7]

CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)C(=O)CN

[#6]-[#6](-[#6])-c1cc(-[#6](-[#6])-[#6])c(c(c1)-[#6](-[#6])-[#6])S(=O)(=O)[#7]-[#6@@H](-[#6]-c1cccc(c1)-[#6](-[#7])=[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#6]\[#7]=[#6](\[#7])-[#7] |r|

CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCCN(CC1)C(=O)CCN |r|

[#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6@H](-[#6]-c1cccc(c1)-[#6](-[#7])=[#7])-[#7]S(=O)(=O)c1ccc2-[#6](=O)-c3ccccc3-[#6](=O)-c2c1 |r|

[#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6@H](-[#6]-c1cccc(c1)-[#6](-[#7])=[#7])-[#7]S(=O)(=O)c1ccc2cc3ccccc3cc2c1 |r|

[#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6@H](-[#6]-c1cccc(c1)-[#6](-[#7])=[#7])-[#7]S(=O)(=O)c1ccc(cc1)-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1 |r|

[#6]-[#6]C([#6])([#6])c1ccc(cc1)S(=O)(=O)[#7]-[#6@@H](-[#6]-c1cccc(c1)-[#6](-[#7])=[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#6]\[#7]=[#6](/[#7])-[#7] |r|

[#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6@H](-[#6]-c1cccc(c1)-[#6](-[#7])=[#7])-[#7]S(=O)(=O)c1ccc2ccccc2c1 |r|

[#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6@H](-[#6]-c1cccc(c1)-[#6](-[#7])=[#7])-[#7]S(=O)(=O)c1ccc(cc1)-c1ccccc1 |r|

[#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6@H](-[#6]-c1cccc(c1)-[#6](-[#7])=[#7])-[#7]S(=O)(=O)c1cccc2ccccc12 |r|

[#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6@H](-[#6]-c1cccc(c1)-[#6](-[#7])=[#7])-[#7]S(=O)(=O)[#6]-c1ccc2ccccc2c1 |r|

[#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6@H](-[#6]-c1cccc(c1)-[#6](-[#7])=[#7])-[#7]S(=O)(=O)[#6]-[#6]-c1cccc2ccccc12 |r|

[#6]-c1c2-[#6]C([#6])([#6])[#8]-c2c(-[#6])c(-[#6])c1S(=O)(=O)[#7]-[#6@@H](-[#6]-c1cccc(c1)-[#6](-[#7])=[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#6]\[#7]=[#6](/[#7])-[#7] |r|

CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)C(=O)C1CCNCC1 |r|

CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)C(=O)C1CCN(CC1)C(N)=N |r|

NC(=N)N1CCC(CC1)C(=O)N1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc(cc1)-c1ccccc1 |r|

CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCCN(CC1)C(=O)C1CCNCC1 |r|

CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCCN(CC1)C(=O)C1CCN(CC1)C(N)=N |r|

CCOC(=O)N1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C |r|

CCC(=O)N1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2C(=O)c3ccccc3C(=O)c2c1 |r|

CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CC1)C(=O)NCCN |r|

[#6]-[#6](-[#6])-c1cc(-[#6](-[#6])-[#6])c(c(c1)-[#6](-[#6])-[#6])S(=O)(=O)[#7]-[#6@@H](-[#6]-c1cccc(c1)-[#6](-[#7])=[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#6](=O)-[#7]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7] |r|

NCCNC(=O)C1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2C(=O)c3ccccc3C(=O)c2c1 |r|

[#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#7]-[#6](=O)-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6@H](-[#6]-c1cccc(c1)-[#6](-[#7])=[#7])-[#7]S(=O)(=O)c1ccc2-[#6](=O)-c3ccccc3-[#6](=O)-c2c1 |r|

CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CC1)C(=O)N1CCNCC1 |r|

CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CC1)C(=O)N1CCN(CC1)C(N)=N |r|

NC(=N)c1cccc(C[C@H](NS(=O)(=O)c2ccc(cc2)C2CCCCC2)C(=O)N2CCC(CC2)C(=O)N2CCNCC2)c1 |r|

NC(=N)N1CCN(CC1)C(=O)C1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc(cc1)C1CCCCC1 |r|

NCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1 |r|

[#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6@H](-[#6]-c1cccc(c1)-[#6](-[#7])=[#7])-[#7]S(=O)(=O)c1ccc2ccccc2c1 |r|

[#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6@H](-[#6]-c1cccc(c1)-[#6](-[#7])=[#7])-[#7]S(=O)(=O)c1cccc2ccccc12 |r|

[#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6@H](-[#6]-c1cccc(c1)-[#6](-[#7])=[#7])-[#7]S(=O)(=O)c1ccc(cc1)-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1 |r|

[#6]-[#6](-[#6])-c1cc(-[#6](-[#6])-[#6])c(c(c1)-[#6](-[#6])-[#6])S(=O)(=O)[#7]-[#6@@H](-[#6]-c1cccc(c1)-[#6](-[#7])=[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]-[#6]-1 |r|

NCCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1 |r|

[#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6@H](-[#6]-c1cccc(c1)-[#6](-[#7])=[#7])-[#7]S(=O)(=O)c1ccc2ccccc2c1 |r|

NC(=N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCC(CC2)C2CCNCC2)c1 |r|

NC(=N)N1CCC(CC1)C1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1 |r|

[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6@H](-[#6]-c1cccc(c1)-[#6](-[#7])=[#7])-[#7]S(=O)(=O)c1ccc(-[#8]-c2ccccc2)cc1 |r|

[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6@H](-[#6]-c1cccc(c1)-[#6](-[#7])=[#7])-[#7]S(=O)(=O)c1ccc(-[#8]-c2ccccc2)nc1 |r|

[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6@H](-[#6]-c1cccc(c1)-[#6](-[#7])=[#7])-[#7]S(=O)(=O)c1ccc(-[#6]-c2ccncc2)cc1 |r|

[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6@H](-[#6]-c1cccc(c1)-[#6](-[#7])=[#7])-[#7]S(=O)(=O)c1ccc(-[#7]-[#6](=O)-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])cc1 |r|

NCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc(NC(=O)CCN)cc1 |r|

[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6@H](-[#6]-c1cccc(c1)-[#6](-[#7])=[#7])-[#7]S(=O)(=O)c1cccc(-[#7]-[#6](=O)-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])c1 |r|

[#7]-[#6]-[#6]-[#6](=O)-[#7]-c1cccc(c1)S(=O)(=O)[#7]-[#6@@H](-[#6]-c1cccc(c1)-[#6](-[#7])=[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-[#6]-1 |r|

NCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(NC(=O)CCN)c1 |r|

NCCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CCN)CC1 |r|

NCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(NC(=O)CN)c1 |r|

NCCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(NC(=O)CCN)c1 |r|

[#7]-[#6]-[#6]-[#6](=O)-[#7]-c1cccc(c1)S(=O)(=O)[#7]-[#6@@H](-[#6]-c1cccc(c1)-[#6](-[#7])=[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-[#6]-1 |r|

COc1ccc(c(c1)C(=O)Nc1ccc(cc1)C(N)=N)-c1ccc(cc1C(O)=O)C(=O)NCC(C)C

CCc1ccc(c(c1)C(=O)Nc1ccc(cc1)C(N)=N)-c1ccc(cc1C(O)=O)C(=O)NCC(C)C

CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(CC=C)cc1C(=O)Nc1ccc(cc1)C(N)=N

CCCc1ccc(c(c1)C(=O)Nc1ccc(cc1)C(N)=N)-c1ccc(cc1C(O)=O)C(=O)NCC(C)C

CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)C#C

CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)C(C)=C

CC#Cc1ccc(c(c1)C(=O)Nc1ccc(cc1)C(N)=N)-c1ccc(cc1C(O)=O)C(=O)NCC(C)C

C\C=C/Cc1ccc(c(c1)C(=O)Nc1ccc(cc1)C(N)=N)-c1ccc(cc1C(O)=O)C(=O)NCC(C)C

[#6]-[#6](-[#6])-[#6]-[#7]-[#6](=O)-c1ccc(c(c1)-[#6](-[#8])=O)-c1ccc(-[#6]\[#6]=[#6](\[#6])-[#6])cc1-[#6](=O)-[#7]-c1ccc(cc1)-[#6](-[#7])=[#7]

CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)C(=C)CO

CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)C(=C)CCO

CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)C(O)CO

CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(Cc2ccccc2)cc1C(=O)Nc1ccc(cc1)C(N)=N

CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)-c1ccsc1

CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)-c1ccco1

CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)-c1ccoc1

CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)-c1nccs1

CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(Cc2cccs2)cc1C(=O)Nc1ccc(cc1)C(N)=N

CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)-c1ccsc1CO

CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)-c1cscc1CO

CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)-c1cscc1CN=[N+]=[N-]

CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)-c1cscc1CN

CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)-c1ccoc1CO

CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)-c1cocc1CO

CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)-c1occc1CO

NC(=N)c1ccc(CNC(=O)CNC(=O)[C@@H](CO)NS(=O)(=O)Cc2ccccc2)cc1

NC(=N)c1ccc(CNC(=O)CNC(=O)[C@@H](CO)NS(=O)(=O)Cc2cccc(c2)C(O)=O)cc1

COC(=O)c1ccc(CS(=O)(=O)N[C@H](CO)C(=O)NCC(=O)NCc2ccc(cc2)C(N)=N)cc1

NC(=N)c1ccc(CNC(=O)CNC(=O)[C@@H](CO)NS(=O)(=O)Cc2ccc(cc2)C(O)=O)cc1

COC(=O)c1ccccc1CS(=O)(=O)N[C@H](CO)C(=O)NCC(=O)NCc1ccc(cc1)C(N)=N

NC(=N)c1ccc(CNC(=O)CNC(=O)[C@@H](CO)NS(=O)(=O)Cc2ccccc2C(O)=O)cc1

C[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)Cc1ccc(cc1)C(O)=O)C(=O)NCc1ccc(cc1)C(N)=N

C[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)Cc1cccc(c1)C(O)=O)C(=O)NCc1ccc(cc1)C(N)=N

C[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)Cc1ccc(cc1)C#N)C(=O)NCc1ccc(cc1)C(N)=N

NCc1ccc(CS(=O)(=O)N[C@H](CO)C(=O)NCC(=O)NCc2ccc(cc2)C(N)=N)cc1

NC(=N)c1ccc(CNC(=O)[C@H](CO)NC(=O)[C@@H](CO)NS(=O)(=O)Cc2ccccc2)cc1

NC(=N)c1ccc(CNC(=O)[C@H](COCc2ccccc2)NC(=O)[C@@H](CO)NS(=O)(=O)Cc2ccccc2)cc1

NC[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)Cc1ccccc1)C(=O)NCc1ccc(cc1)C(N)=N

CC(O)[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)Cc1ccccc1)C(=O)NCc1ccc(cc1)C(N)=N

CC(OCc1ccccc1)[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)Cc1ccccc1)C(=O)NCc1ccc(cc1)C(N)=N

NC(=N)c1ccc(CNC(=O)[C@H](CO)NC(=O)[C@@H](CO)NS(=O)(=O)Cc2cccc(c2)C(O)=O)cc1

NC(=N)c1ccc(CNC(=O)[C@H](CO)NC(=O)[C@@H](CO)NS(=O)(=O)Cc2ccc(cc2)C(O)=O)cc1

COC(=O)c1ccc(CS(=O)(=O)N[C@H](CO)C(=O)N[C@@H](CO)C(=O)NCc2ccc(cc2)C(N)=N)cc1

NC(=N)c1ccc(CNC(=O)CNC(=O)[C@@H](CO)NS(=O)(=O)Cc2ccc(Cl)cc2)cc1

Cc1ccc(CS(=O)(=O)N[C@H](CO)C(=O)NCC(=O)NCc2ccc(cc2)C(N)=N)cc1

NC(=N)c1ccc(CNC(=O)CNC(=O)[C@@H](CO)NS(=O)(=O)Cc2ccc(F)cc2)cc1

NC(=N)c1ccc(CNC(=O)CNC(=O)[C@@H](CO)NS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)cc1

NC(=N)c1ccc(CNC(=O)CNC(=O)[C@@H](CO)NS(=O)(=O)Cc2ccncc2)cc1

NCCCC[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)Cc1ccccc1)C(=O)NCc1ccc(cc1)C(N)=N

[#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#8])-[#7]S(=O)(=O)[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-c1ccc(cc1)-[#6](-[#7])=[#7]

NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)COCC(=O)NCCCC[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)Cc1ccccc1)C(=O)NCc1ccc(cc1)C(N)=N

NC(CNS(=O)(=O)Cc1ccccc1)C(=O)NCC(=O)NCc1ccc(cc1)C(N)=N

NC(=N)c1ccc(CNC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CO)NS(=O)(=O)Cc2ccccc2)cc1

NC(=N)c1ccc(CNC(=O)CNC(=O)[C@H](CO)NS(=O)(=O)Cc2ccc(CC(O)=O)cc2)cc1

NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCCc2ccncc2)NS(=O)(=O)Cc2ccccc2)cc1 |r|

COC(=O)c1cccc(CS(=O)(=O)N[C@H](CCCc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(cc2)C(N)=N)c1 |r|

NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCCc2ccccc2)NS(=O)(=O)Cc2cccc(c2)C(O)=O)cc1 |r|

CC(=O)N1CCC(CC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(cc2)C(N)=N)CC1 |r|

NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCCC2CCNCC2)NS(=O)(=O)Cc2ccccc2)cc1 |r|

NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCC2CCN(CC2)C(=O)C2CC2)NS(=O)(=O)Cc2ccccc2)cc1 |r|

CCC(=O)N1CCC(CC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(cc2)C(N)=N)CC1 |r|

CC(=O)N1CCC(CCC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(cc2)C(N)=N)CC1 |r|

NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCC2CCNCC2)NS(=O)(=O)Cc2ccccc2)cc1 |r|

COCC(=O)N1CCC(CC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(cc2)C(N)=N)CC1 |r|

NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCc2ccncc2)NS(=O)(=O)Cc2ccccc2)cc1 |r|

CN(C)C(=O)N1CCC(CC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(cc2)C(N)=N)CC1 |r|

CNC(=O)N1CCC(CC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(cc2)C(N)=N)CC1 |r|

CCCC(=O)N1CCC(CC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(cc2)C(N)=N)CC1 |r|

COC(=O)N1CCC(CC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(cc2)C(N)=N)CC1 |r|

N=C(N)c4ccc(CNC(=O)[C@H](CCC1CCNCC1)NC(=O)[C@@H](CCCc2cc[n+]([O-])cc2)NS(=O)(=O)Cc3ccccc3)cc4

CC(C)C(=O)N1CCC(CC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(cc2)C(N)=N)CC1 |r|

NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCCc2ccccc2)NS(=O)(=O)Cc2ccccc2)cc1 |r|

NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@H](NS(=O)(=O)Cc2ccccc2)c2ccccc2)cc1 |r|

N=C(N)c4ccc(CNC(=O)[C@H](CCC1CCNCC1)NC(=O)[C@@H](CCc2cc[n+]([O-])cc2)NS(=O)(=O)Cc3ccccc3)cc4

COC(=O)N1CCC(CCC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(cc2)C(N)=N)CC1 |r|

NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCCn2cnnn2)NS(=O)(=O)Cc2ccccc2)cc1 |r|

NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3cn(Cc4cccc(Cn5cc(C[C@@H](NS(=O)(=O)Cc6ccccc6)C(=O)N2)nn5)c4)nn3)cc1 |r|

NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3cn(Cc4cccc(Cn5cc(C[C@@H](NS(=O)(=O)Cc6ccccc6)C(=O)N2)nn5)n4)nn3)cc1 |r|

NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(CNC(=O)Cc4cccc(CC(=O)NCc5ccc(C[C@@H](NS(=O)(=O)Cc6ccccc6)C(=O)N2)cc5)c4)cc3)cc1 |r|

NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(CNC(=O)Cc4ccc(CC(=O)NCc5ccc(C[C@@H](NS(=O)(=O)Cc6ccccc6)C(=O)N2)cc5)cc4)cc3)cc1 |r|

NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3cccc(CNC(=O)Cc4cccc(CC(=O)NCc5cccc(C[C@@H](NS(=O)(=O)Cc6ccccc6)C(=O)N2)c5)c4)c3)cc1 |r|

NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3cccc(CNC(=O)Cc4ccc(CC(=O)NCc5cccc(C[C@@H](NS(=O)(=O)Cc6ccccc6)C(=O)N2)c5)cc4)c3)cc1 |r|

NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3cccc(CNC(=O)Cc4ccccc4CC(=O)NCc4cccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)c4)c3)cc1 |r|

NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3cccc(CNC(=O)CN4CCN(CC4)CC(=O)NCc4cccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)c4)c3)cc1 |r,wU:11.10,wD:40.41,(10.73,-8.05,;9.41,-8.84,;9.42,-10.38,;8.06,-8.08,;6.74,-8.86,;5.4,-8.11,;5.39,-6.57,;4.05,-5.81,;4.03,-4.27,;2.69,-3.51,;1.36,-4.3,;2.68,-1.97,;4,-1.18,;3.98,.36,;2.63,1.11,;2.61,2.65,;3.94,3.43,;5.27,2.67,;6.6,3.46,;6.58,5,;7.91,5.78,;9.25,5.02,;7.89,7.32,;6.55,8.08,;5.22,7.29,;3.88,8.05,;3.87,9.59,;5.19,10.38,;6.53,9.62,;2.53,10.35,;1.21,9.57,;-.13,10.33,;1.22,8.03,;-.11,7.25,;-.09,5.71,;1.25,4.94,;1.26,3.4,;-.07,2.63,;-1.41,3.4,;-2.73,2.62,;-2.73,1.08,;-4.06,.3,;-5.39,1.07,;-6.17,2.41,;-4.63,2.41,;-6.72,.29,;-8.06,1.05,;-8.06,2.59,;-9.4,3.35,;-10.73,2.58,;-10.72,1.03,;-9.38,.27,;-1.39,.32,;-.06,1.09,;-1.38,-1.22,;-1.42,4.93,;5.3,1.14,;6.7,-5.78,;8.04,-6.53,)|

NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(CNC(=O)CN4CCN(CC4)CC(=O)NCc4ccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)cc4)cc3)cc1 |r,wU:11.10,wD:38.39,(24.36,-25.86,;24.33,-24.32,;25.66,-23.53,;22.99,-23.57,;21.66,-24.36,;20.32,-23.61,;20.31,-22.07,;18.96,-21.31,;18.94,-19.77,;17.6,-19.02,;16.28,-19.81,;17.58,-17.48,;18.91,-16.7,;18.89,-15.16,;17.55,-14.4,;17.54,-12.86,;18.87,-12.08,;18.86,-10.54,;17.52,-9.78,;17.5,-8.24,;18.83,-7.46,;16.16,-7.48,;14.84,-8.27,;14.85,-9.81,;13.52,-10.58,;12.18,-9.82,;12.17,-8.29,;13.49,-7.5,;10.85,-10.59,;9.51,-9.83,;9.5,-8.29,;8.19,-10.61,;8.2,-12.15,;9.53,-12.91,;10.87,-12.14,;12.2,-12.9,;12.2,-14.43,;13.54,-15.2,;13.55,-16.74,;12.22,-17.51,;12.23,-19.05,;13.71,-18.64,;13.32,-20.13,;10.9,-19.83,;10.9,-21.37,;9.58,-22.14,;9.58,-23.68,;10.92,-24.44,;12.26,-23.66,;12.24,-22.12,;14.89,-17.5,;14.89,-19.04,;16.22,-16.72,;10.88,-15.22,;9.55,-14.46,;20.21,-12.83,;20.22,-14.37,;21.62,-21.28,;22.97,-22.02,)|

NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(OC\C=C/COc4ccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)cc4)cc3)cc1 |r,c:19|

NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(OCCCCOc4ccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)cc4)cc3)cc1 |r|

NC(=N)c1ccc(CNC(=O)[C@@H]2CCCCNC(=O)c3cccc(c3)C(=O)NCCCC[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N2)cc1 |r|

NC(=N)c1ccc(CNC(=O)[C@@H]2CCC(=O)NCc3cccc(CNC(=O)CC[C@@H](NS(=O)(=O)Cc4ccccc4)C(=O)N2)c3)cc1 |r|

NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3cn(Cc4ccc(Cn5cc(C[C@@H](NS(=O)(=O)Cc6ccccc6)C(=O)N2)nn5)cc4)nn3)cc1 |r|

OC(=O)[C@@H]1Cc2ccc(NC(=O)CN3CCN(CC3)CC(=O)Nc3ccc(C[C@@H](NS(=O)(=O)Cc4ccccc4)C(=O)N1)cc3)cc2 |r,wU:28.29,wD:3.2,(3.08,3.56,;1.6,3.96,;1.2,5.44,;.51,2.87,;.91,1.38,;2.39,.98,;2.79,-.51,;4.28,-.9,;5.37,.18,;6.86,-.21,;7.58,-1.48,;9.07,-1.08,;6.81,-2.82,;5.55,-3.27,;4.22,-2.5,;2.89,-3.27,;2.89,-4.81,;4.22,-5.58,;5.55,-4.81,;1.4,-5.21,;.31,-4.12,;-1.02,-4.89,;.31,-2.58,;-.29,-.85,;-1.62,-1.62,;-2.96,-.85,;-2.96,.69,;-4.05,1.78,;-3.65,3.27,;-4.98,4.04,;-6.32,3.27,;-6.71,4.75,;-4.73,2.84,;-7.74,2.45,;-7.74,.91,;-9.07,.14,;-9.07,-1.4,;-7.74,-2.17,;-6.4,-1.4,;-6.4,.14,;-2.31,4.04,;-2.31,5.58,;-.98,3.27,;-1.62,1.46,;-.29,.69,;4.97,1.67,;3.48,2.07,)|

CCOc1ccc(C[C@@H](NC(=O)c2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1

C[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCCCCN |r|

C[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCCCCCN |r|

C[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCCCCCCN |r|

C[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCCCCCCCCN |r|

C[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCO |r|

C[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCCO |r|

C[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCCCO |r|

[#6]-n1cc(-[#7]-[#6](=O)-c2cc(-[#7]-[#6](=O)-[#6]\[#7]=[#6](\[#7])-[#7])cn2-[#6])cc1-[#6](=O)-[#7]-[#6]-[#6]-[#6](-[#7])=[#7]

c1cc(ccc1C(=N)N)OCCCCCOc2ccc(cc2)C(=N)N

Nc1cccc(c1)C(=O)Nc1cccc(c1)C(=O)NCCCNC(=O)c1cccc(NC(=O)c2cccc(N)c2)c1

Nc1cccc(c1)C(=O)Nc1cccc(c1)C(=O)NCCCCNC(=O)c1cccc(NC(=O)c2cccc(N)c2)c1

Nc1cccc(c1)C(=O)Nc1cccc(c1)C(=O)NCCCCCNC(=O)c1cccc(NC(=O)c2cccc(N)c2)c1

N[C@@H](CO)C(=O)N[C@@H](CC(=O)N[C@H](CCCNC(N)=N)C(O)=O)c1ccccc1 |r|

N[C@H](CO)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CCCNC(N)=N)C(O)=O |r|

N[C@H](CO)C(=O)N[C@H](CCc1ccccc1)C(=O)N[C@H](CCCNC(N)=N)C(O)=O |r|

N[C@H](CO)C(=O)N[C@@H](CC(=O)N[C@H](CCCNC(N)=N)C(O)=O)C1CCCCC1 |r|

N[C@H](CO)C(=O)N[C@H](CC1CCCCC1)C(=O)N[C@H](CCCNC(N)=N)C(O)=O |r|

N[C@H](CO)C(=O)N[C@H](CCC1CCCCC1)C(=O)N[C@H](CCCNC(N)=N)C(O)=O |r|

CC[C@@H](N)C(=O)N[C@@](C)(Cc1ccccc1)C(=O)N[C@H](CCCNC(N)=N)C(O)=O |r|

N[C@H](CO)C(=O)NC1(CCCCC1)C(=O)N[C@H](CCCNC(N)=N)C(O)=O |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)=O

CC(C)(C)c1ccc(O)c(c1)C(=O)Nc1ccc(CN)cc1

NCc1ccc(NC(=O)c2ccc3ccccc3c2O)cc1

NCc1ccc(NC(=O)c2cc3ccccc3cc2O)cc1

Cc1ccc(C(=O)Nc2ccc(CN)cc2)c(O)c1

COc1ccc2c(O)c(ccc2c1)C(=O)Nc1ccc(CN)cc1

CC(C)c1ccc(C(=O)Nc2ccc(CN)cc2)c(O)c1

COCc1nn(Cc2ccc(Cn3cc(F)ccc3=O)cc2)cc1C(=O)NCc1nccc(OC)c1F

CN1CCN(CC1)C(=O)[C@H](CNC(=O)c1ccc(Cl)s1)NS(=O)(=O)c1cccc(N2CCCC2=O)c1C |r|

CN(C)CCOC(=O)[C@H](CNC(=O)c1ccc(Cl)s1)NS(=O)(=O)c1cccc(N2CCCC2=O)c1C |r|

CN1CCC(CC1)OC(=O)[C@H](CNC(=O)c1ccc(Cl)s1)NS(=O)(=O)c1cccc(N2CCCC2=O)c1C |r|

COC(=O)[C@H](CNC(=O)c1ccc(Cl)s1)NS(=O)(=O)c1cccc(N2CCCC2=O)c1C |r|

CCc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)OC)N1CCCC1=O |r|

CCc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)OC)N1CC[C@H](O)C1=O |r|

CCc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)OC)N1CC[C@@H](O)C1=O |r|

Cc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)OCCc1nccn1C)N1CCCC1=O |r|

CCc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)OCCc1cncn1C)N1CCCC1=O |r|

CCc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)OCCc1nccn1C)N1CCCC1=O |r|

CCc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)OCCCc1nccn1C)N1CCCC1=O |r|

Cc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)OCCc1nccn1C)N1CC[C@H](O)C1=O |r|

Cc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)OCCc1nccn1C)N1CC[C@@H](O)C1=O |r|

CCc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)OCCc1nccn1C)N1CC[C@@H](O)C1=O |r|

CCc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)OCCCc1nccn1C)N1CC[C@H](O)C1=O |r|

CCc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)OCCCc1nccn1C)N1CC[C@@H](O)C1=O |r|

CCc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c2ccc(s2)Cl)C(=O)OCCc3nccn3C)N4CC[C@@H](C4=O)O

CN1CCC(CC1)Oc1ccc(CNc2ccc3c(N)nccc3c2)cn1

CN1CCC(CC1)Oc1ccc(CNc2cccc3c(N)nccc23)cc1

Nc1nccc2c(NCc3ccc(nc3)N3CCn4ccnc4C3)cccc12

CN1CCC(CNc2ccc(CNc3ccnc4[nH]ccc34)cn2)CC1

CC(C)N1CC2CC1CN2CCc1ccc(CNc2cccc3c(N)nccc23)c(F)c1

CN1CCC(CC1)Oc1cc(CNc2ccc3c(N)nccc3c2)ccn1

CN1CCC(COc2cc(CNc3ccc4cnccc4c3)ccn2)CC1

CN1CCC(COc2cc(CNc3ccc4c(N)ncc(Cl)c4c3)ccn2)CC1

CN1CCC(COc2cc(CNc3cc4ccnc(N)c4cn3)ccn2)CC1

Nc1ncc(F)c2c(NCc3ccnc(OCC4CCn5ccnc5C4)c3)cccc12

Nc1ncc(Cl)c2cc(NCc3ccnc(c3)N3CCn4ccnc4C3)ccc12

Nc1ncc(Cl)c2cc(NCc3ccnc(OC[C@H]4CCn5ccnc5C4)c3)ccc12

Cc1cn2CC[C@H](COc3cc(CNc4cccc5c(N)nccc45)ccn3)Cc2n1

CN1CCC(COc2cc(CNc3cccc4[nH]nc(Cl)c34)ccn2)CC1

CN1c2ccc(cc2OC1=O)N3C=C(C(=O)N(C3=O)[C@@H]4CCc5c4cccc5C(F)(F)F)C(=O)O

Cc1c(S(=O)(=O)Nc2ccc(-c3nc(C(=O)O)cs3)cc2S(C)(=O)=O)sc2ccc(F)cc12

CCc1cc2ccc1CCOC(=O)Nc3ccc(c(c3)CN(C(=O)[C@@H]2Nc4cccc(c4)C(=O)N)C)S(=O)(=O)C(C)C

CN1Cc2cc(NC(=O)OCCc3c(C)cc(cc3C)[C@@H](Nc3ccc4cc[nH]c(=O)c4c3)C1=O)ccc2S(=O)(=O)C1CC1 |r|

NC(=N)NCc1ccc(cc1)C1CC\C(OC1=O)=C\I

NC(=N)NCc1ccc(cc1)C1CCC(=C)OC1=O

[#7]\[#6](-[#7])=[#7]\c1ccc(cc1)-[#6]-1-[#6]\[#6](-[#8]-[#6](=O)-[#6]-1-[#7]-[#6](=O)-c1ccccc1)=[#6]\I

CN1CCN(C(=O)C1)c1cccc2[C@H](N(CCc12)C(=O)\C=C\c1c(F)c(Cl)ccc1-n1cnnn1)C(=O)Nc1ccc(cc1)C(O)=O |r|

CC(C)C[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC[C@H](C)NC(=O)[C@H]2CSCc3cc(CSC[C@H](NC1=O)C(O)=O)cc(CSC[C@H](NC(C)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCNC(N)=N)C(=O)N2)c3 |r|

CC(C)C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSCc3cc(CSC[C@@H](NC1=O)C(=O)N[C@@H](C)C(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(O)=O)cc(CSC[C@H](NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c4ccccc14)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c4ccccc14)C(=O)N2)c3 |r|

CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@@H]2CSCc3cc(CSC[C@H](NC1=O)C(=O)N[C@@H](C)C(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(O)=O)cc(CSC[C@H](NC(C)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCNC(N)=N)C(=O)N2)c3)C(C)C |r|

[O-]S(=O)(=O)Oc1ccc(cc1)-c1cc(=O)c2c(OCc3ccc(COc4cc(OS([O-])(=O)=O)cc5oc(cc(=O)c45)-c4ccc(OS([O-])(=O)=O)cc4)cc3)cc(OS([O-])(=O)=O)cc2o1

Cc1cc(COc2cc(OS([O-])(=O)=O)cc3oc(-c4ccc(OS([O-])(=O)=O)c(OS([O-])(=O)=O)c4)c(OS([O-])(=O)=O)c(=O)c23)c(C)cc1COc1cc(OS([O-])(=O)=O)cc2oc(-c3ccc(OS([O-])(=O)=O)c(OS([O-])(=O)=O)c3)c(OS([O-])(=O)=O)c(=O)c12

[O-]S(=O)(=O)Oc1cc(OCc2ccc(COc3cc(OS([O-])(=O)=O)cc4oc(-c5ccc(OS([O-])(=O)=O)c(OS([O-])(=O)=O)c5)c(OS([O-])(=O)=O)c(=O)c34)cc2)c2c(c1)oc(-c1ccc(OS([O-])(=O)=O)c(OS([O-])(=O)=O)c1)c(OS([O-])(=O)=O)c2=O

Cc1cc(COc2cc(OS([O-])(=O)=O)cc3oc(cc(=O)c23)-c2ccc(OS([O-])(=O)=O)cc2)c(C)cc1COc1cc(OS([O-])(=O)=O)cc2oc(cc(=O)c12)-c1ccc(OS([O-])(=O)=O)cc1

[O-]S(=O)(=O)Oc1ccc(cc1)-c1cc(=O)c2c(OCc3cccc(COc4cc(OS([O-])(=O)=O)cc5oc(cc(=O)c45)-c4ccc(OS([O-])(=O)=O)cc4)n3)cc(OS([O-])(=O)=O)cc2o1

Oc1cc(OCc2ccc(COc3cc(O)cc4oc(c(O)c(=O)c34)-c3ccc(O)c(O)c3)cc2)c2c(c1)oc(c(O)c2=O)-c1ccc(O)c(O)c1

[O-]S(=O)(=O)Oc1cc(OCc2ccc(cc2)-c2ccc(COc3cc(OS([O-])(=O)=O)cc4oc(-c5ccc(OS([O-])(=O)=O)c(OS([O-])(=O)=O)c5)c(OS([O-])(=O)=O)c(=O)c34)cc2)c2c(c1)oc(-c1ccc(OS([O-])(=O)=O)c(OS([O-])(=O)=O)c1)c(OS([O-])(=O)=O)c2=O

[O-]S(=O)(=O)Oc1cc(OCc2cccc(COc3cc(OS([O-])(=O)=O)cc4oc(-c5ccc(OS([O-])(=O)=O)c(OS([O-])(=O)=O)c5)c(OS([O-])(=O)=O)c(=O)c34)c2)c2c(c1)oc(-c1ccc(OS([O-])(=O)=O)c(OS([O-])(=O)=O)c1)c(OS([O-])(=O)=O)c2=O

[O-]S(=O)(=O)Oc1cc(OCc2cccc(COc3cc(OS([O-])(=O)=O)cc4oc(-c5ccc(OS([O-])(=O)=O)c(OS([O-])(=O)=O)c5)c(OS([O-])(=O)=O)c(=O)c34)n2)c2c(c1)oc(-c1ccc(OS([O-])(=O)=O)c(OS([O-])(=O)=O)c1)c(OS([O-])(=O)=O)c2=O

[O-]S(=O)(=O)Oc1ccc(cc1)-c1cc(=O)c2c(OCCOc3cc(OS([O-])(=O)=O)cc4oc(cc(=O)c34)-c3ccc(OS([O-])(=O)=O)cc3)cc(OS([O-])(=O)=O)cc2o1

[O-]S(=O)(=O)Oc1ccc(cc1)-c1cc(=O)c2c(OCCCOc3cc(OS([O-])(=O)=O)cc4oc(cc(=O)c34)-c3ccc(OS([O-])(=O)=O)cc3)cc(OS([O-])(=O)=O)cc2o1

[O-]S(=O)(=O)Oc1ccc(cc1)-c1cc(=O)c2c(OCCCCOc3cc(OS([O-])(=O)=O)cc4oc(cc(=O)c34)-c3ccc(OS([O-])(=O)=O)cc3)cc(OS([O-])(=O)=O)cc2o1

[O-]S(=O)(=O)Oc1ccc(cc1)-c1cc(=O)c2c(OCC=CCOc3cc(OS([O-])(=O)=O)cc4oc(cc(=O)c34)-c3ccc(OS([O-])(=O)=O)cc3)cc(OS([O-])(=O)=O)cc2o1

[O-]S(=O)(=O)Oc1cc(OCCCCOc2cc(OS([O-])(=O)=O)cc3oc(-c4ccc(OS([O-])(=O)=O)c(OS([O-])(=O)=O)c4)c(OS([O-])(=O)=O)c(=O)c23)c2c(c1)oc(-c1ccc(OS([O-])(=O)=O)c(OS([O-])(=O)=O)c1)c(OS([O-])(=O)=O)c2=O

[O-]S(=O)(=O)Oc1ccc(cc1)-c1cc(=O)c2c(OCc3ccc(cc3)-c3ccc(COc4cc(OS([O-])(=O)=O)cc5oc(cc(=O)c45)-c4ccc(OS([O-])(=O)=O)cc4)cc3)cc(OS([O-])(=O)=O)cc2o1

[O-]S(=O)(=O)Oc1ccc(cc1)-c1cc(=O)c2c(OCc3cccc(COc4cc(OS([O-])(=O)=O)cc5oc(cc(=O)c45)-c4ccc(OS([O-])(=O)=O)cc4)c3)cc(OS([O-])(=O)=O)cc2o1

[O-]S(=O)(=O)Oc1ccc(cc1)-c1cc(=O)c2c(OCc3ccc(COc4cc(OS([O-])(=O)=O)cc5oc(-c6ccc(OS([O-])(=O)=O)c(OS([O-])(=O)=O)c6)c(OS([O-])(=O)=O)c(=O)c45)cc3)cc(OS([O-])(=O)=O)cc2o1

CCCCC1NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]3CCCN3C(=O)[C@@H]3CCCN3C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc3ccc(NC(N)=N)cc3)NC1=O)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccccc1)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|

[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O |r|

CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN)C=O |r|

CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN)C=O |r|

[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O |r|

CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCN)C=O |r|

CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C=O |r|

CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=O)C=O |r|

CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C=O |r|

[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O |r|

CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C=O |r|

[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O |r|

CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCN)C=O |r|

CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCCN)C=O |r|

COc1ncc(cn1)-c1nc(C(=O)NC(N)=N)c(N)nc1N1CCCCCC1

NC(=N)NC(=O)c1nc(-c2cc3c(F)cccc3o2)c(nc1N)N1CCCCCC1

NC(=N)NC(=O)c1nc(-c2cc3ccccc3o2)c(nc1N)N1CCCCCC1

NC(=N)NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1

COC(=O)Nc1ccc(cc1)-c1cc(nnc1Cl)[C@H](Cc1ccccc1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r|

COC(=O)Nc1ccc(cc1)-c1cc([C@H](Cc2ccccc2)NC(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)c(Cl)nn1 |r|

COC(=O)Nc1ccc(cc1)-c1cnnc(c1)[C@H](Cc1ccccc1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r|

COC(=O)Nc1ccc(cc1)-c1cc(nnc1C)[C@H](Cc1ccccc1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r|

NCc1cccc(C[C@H](NC(=O)[C@@H](CCCc2ccccc2)NS(=O)(=O)Cc2cccc(c2)C(O)=O)C(=O)Cc2ccc(cc2)C(N)=N)c1 |r|

CC(C)(C)[C@@H](Oc1nc(Oc2cc(cc(c2)-c2cccc(CN)c2)C#N)c(F)cc1F)C(O)=O |r|

CC(C)(C)[C@@H](Oc1nc(Oc2cccc(c2)-c2cccc(CN)c2)c(F)cc1F)C(O)=O |r|

Cc1cc(Oc2nc(O[C@@H](C(O)=O)C(C)(C)C)c(F)cc2F)cc(c1)-c1cccc(CN)c1 |r|

CC[C@@H](Oc1nc(Oc2cc(C)cc(c2)-c2cccc(CN)c2)c(F)cc1F)C(O)=O |r|

C[C@@H](Oc1nc(Oc2cccc(c2)-c2cccc(CN)c2)c(F)cc1F)C(O)=O |r|

CC[C@H](Oc1nc(Oc2cccc(c2)-c2cccc(CN)c2)c(F)cc1F)C(O)=O |r|

COc1cc(Oc2nc(O[C@@H](C(O)=O)C(C)(C)C)c(F)cc2F)cc(c1)-c1cccc(CN)c1 |r|

CC[C@@H](Oc1nc(Oc2cccc(c2)-c2cccc(CN)c2)c(F)cc1F)C(O)=O |r|

[H][C@@]12C[C@H](C)CN1C(=O)[C@H](CO)NC(=O)[C@@]([H])(NC(=O)[C@@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)\N=C\[C@H](Cc1ccccc1)NC2=O)[C@@H](C)CC |r,t:44|

[H][C@@]12C[C@H](C)CN1C(=O)[C@H](CO)NC(=O)[C@@]([H])(NC(=O)[C@@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)\N=C\[C@H](CC(C)C)NC2=O)[C@@H](C)CC |r,t:44|

NC(=N)c1ccc2n(Cc3ccccc3)ccc2c1

NC(=N)c1ccc(OCCCOc2ccc(cc2)-c2nc3ccc(cc3[nH]2)C(N)=N)cc1

NC(=N)c1ccc(OCCCCCOc2ccc(cc2)-c2nc3ccc(cc3[nH]2)C(N)=N)cc1

NC(=N)c1ccc(OCCOc2ccc(cc2)-c2nc3ccc(cc3[nH]2)C(N)=N)cc1

CCn1ccc2cc(ccc12)C(N)=N

NC(=N)c1ccc2c(C=O)c[nH]c2c1

NC(=N)c1ccc2n(CCCCn3ccc4cc(ccc34)C(N)=N)ccc2c1

NC(=N)c1ccc2n(Cc3cccc(N)c3)ccc2c1

CCC(=O)c1cc2ccc(cc2[nH]1)C(N)=N

NC(=N)c1ccc(Cn2ccc3cc(ccc23)C(N)=N)c(Cl)c1

NC(=N)c1ccc2c(c[nH]c2c1)C(=O)C(F)(F)F

NC(=N)c1cccc(Cn2ccc3cc(ccc23)C(N)=N)c1

Cn1ccc2cc(ccc12)C(N)=N

NC(=N)c1ccc2nc(Cc3nc4ccc(cc4[nH]3)C(N)=N)[nH]c2c1

CC(=O)c1c[nH]c2cc(ccc12)C(N)=N

NC(=N)c1ccc2[nH]ccc2c1

NC(=N)c1ccc(Cn2ccc3cc(ccc23)[N+]([O-])=O)cc1

NC(=N)c1ccc2n(Cc3ccc(cc3N)[N+]([O-])=O)ccc2c1

NC(=N)c1ccc(OCCCCOc2ccc(cc2)-c2nc3ccc(cc3[nH]2)C(N)=N)cc1

NC(=N)c1ccc(Cn2ccc3ccccc23)cc1

NC(=N)c1ccc2n(Cc3cccc(c3)[N+]([O-])=O)ccc2c1

NC(=N)c1ccc(Cn2ccc3cc(ccc23)C(N)=N)cc1

NC(=N)c1ccc2c(c[nH]c2c1)C(=O)c1ccccc1

CC(=O)N[C@@H](\C=C1/CC[C@@H](N)C=C1)C(=O)N[C@@H](\C=C1/CC[C@@H](NC(C)=O)C=C1)C(O)=O |r,c:11,27|

CCO[C@@H]1[C@H](CCCN1C(N)=N)NC(=O)C1CC2CCC(O)CC2N1C(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H](O)Cc1ccc(O)cc1 |r|

[H][C@]12CC[C@@H](O)N(C1=O)[C@@]([H])([C@@H](C)CC)C(=O)N(C)[C@@H](Cc1ccc(O)c(Cl)c1)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)O[C@H](C)[C@H](NC(=O)[C@H](O)COS(C)(=O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2 |r|

[H][C@]12CC[C@@H](O)N(C1=O)[C@@]([H])([C@@H](C)CC)C(=O)N(C)[C@@H](Cc1ccc(O)c(Cl)c1)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)O[C@H](C)[C@H](NC(=O)[C@@H](COS(C)(=O)=O)OS(O)(=O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2 |r|

[#6][C@]([#7]-[#6](=O)C(F)(F)F)([#6](=O)-[#7]-1-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O)c1ccccc1

C[C@@](CCCNC(N)=N)(NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1Cc2ccccc2CN1)C=O

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O

[#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O

NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1NCC[C@@H]2CCCC[C@H]12)C=O

[#6]-[#6][C@]([#7]-[#6](=O)C(F)(F)F)([#6](=O)-[#7]-1-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O)c1ccccc1

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1C(CCC1(C)C)C(=O)N[C@@H](CCCNC(N)=N)C=O

[H][C@]12CCCC[C@@]1([H])C[C@H](NC2)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O

CC(C)(C)OC(=O)N[C@@H](C(=O)N1CC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O)c1ccccc1

CN[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@](C)(CCCNC(N)=N)C=O

CC(=O)N[C@@](C)(C(=O)N1CC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O)c1ccccc1

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CSCC1C(=O)N[C@@H](CCCNC(N)=N)C=O

C[C@](NC(=O)C(F)(F)F)(C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O)c1ccccc1

[#6]C([#6])([#6])[#8]-[#6](=O)-[#7][C@@]([#6])([#6](=O)-[#7]-1-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O)c1ccccc1

CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O)c1ccccc1

NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1Cc2ccccc2CN1)C=O

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O

CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O

[#6]-[#7](-[#6])-[#6](=O)-[#6]-[#8]-[#6](=O)-[#6]-c1ccc(-[#8]-[#6](=O)-c2ccc(cc2)\[#7]=[#6](/[#7])-[#7])cc1

C\C(=C/c1ccc(cc1)C(=O)Oc1ccc(cc1)C(N)=N)C(=O)N(CC=C)CC(O)=O

CCOC(=O)CN(CC=C)C(=O)C(\C)=C\c1ccc(cc1)C(=O)Oc1ccc(cc1)C(N)=N

[#7]\[#6](-[#7])=[#7]/c1ccc(cc1)-[#6](=O)-[#8]-c1ccc(-[#6]-[#6](-[#8])=O)cc1

CCC(C)(C)C(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(c1ccccc1)c1ccccc1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1

CCC(C)(C)C(NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)OCc1ccccc1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1

COCCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(c1ccccc1)c1ccccc1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1

COCCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1

CC1(C)C2CC1[C@]1(C)OB(O[C@@H]1C2)C(Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(c1ccccc1)c1ccccc1

CCCCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1

CC1(C)C2CC1[C@]1(C)OB(O[C@@H]1C2)C(Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1

CCC(C)(C)C(NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1

CC5(C)C6C[C@H]4OB(C(CCC/C(S)=N\N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc2ccccc2)NC(=O)OCc3ccccc3)O[C@@]4(C)C5C6

CCCCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(c1ccccc1)c1ccccc1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1

CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCNC(N)=N)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)c1nccs1

NC(=N)NCCCC(NC(=O)C1CCCN1C(=O)C(=O)CCc1ccccc1)C=O

NC(=N)NCCCC(NC(=O)C1CCCN1C(=O)N[C@H](Cc1ccccc1)C(O)=O)C=O

CC[C@H](C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(N)=N)C=O)c1ccccc1

[#7]-[#6@@H](-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O)-c1ccccc1

[#6]C([#6])([#6])[#8]-[#6](=O)-[#7]-[#6@@H](-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O)-c1ccsc1

C[C@H](C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(N)=N)C=O)c1ccccc1

[#6]C([#6])([#6])[#8]-[#6](=O)-[#7]-[#6@H](-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O)-c1ccc(F)cc1

[#6]C([#6])([#6])[#8]-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O

CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(N)=N)C=O)c1cccc2ccccc12

[#6]C([#6])([#6])[#8]-[#6](=O)-[#7]-[#6@H](-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O

CC(C)(C)OC(=O)NC(C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(N)=N)C=O)c1cccc(c1)C(F)(F)F

[#6]C([#6])([#6])[#8]-[#6](=O)-[#7]-[#6@@H](-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O)-c1ccc(-[#8])cc1

[#6]C([#6])([#6])[#8]-[#6](=O)-[#7]-[#6@@H](-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O)-c1ccccc1

NC(=N)NCCCC(NC(=O)[C@@H]1CCCN1C(=O)c1cc2ccccc2[nH]1)C=O

CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(N)=N)C=O)c1ccc2ccccc2c1

CN[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O)c1ccccc1

NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]1Cc2ccccc2CN1)C=O

[#6]C([#6])([#6])[#8]-[#6](=O)-[#7]-[#6@@H](-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O)-c1ccc(F)cc1

CC(C)(C)OC(=O)NC(C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(N)=N)C=O)c1ccc(Cl)c(Cl)c1

NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)C1CCc2ccccc2N1)C=O

CO[C@H](C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(N)=N)C=O)c1ccccc1

NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1NCCc2ccccc12)C=O

CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(N)=N)C=O)c1cccc2ccccc12

CC(C)(C)OC(=O)N[C@@H](CN1CCC[C@H]1C(=O)NC(CCCNC(N)=N)C=O)c1ccccc1

C[C@@H](C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(N)=N)C=O)c1ccccc1

[H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC2=O)C(O)=O |r|

[H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC1CCN(CC1)C(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC2=O)C(O)=O |r|

[H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC1CCN(CC1)C(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC2=O)C(O)=O |r|

[H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC1CCN(CC1)C(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC2=O)C(O)=O |r|

[H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC1CCN(CC1)C(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC2=O)C(O)=O |r|

CCOC(=O)c1ccc(OC(=O)CCCCCNC(N)=N)cc1

CCCCNC(=O)c1ccn2c(NCc3ccc(NC(N)=N)cc3)cnc2c1

NC(=N)c1ccc(\C=C2\N=C(OC2=O)c2ccccc2)cc1 |c:9|

CC(C)[C@@H](N1C(=O)CN(C1=O)c1ccc(Oc2ccccc2)cc1)c1nc2ccc(cc2n1C)C(=O)N[C@@H](CCCCN)C#N |r|

CC(C)C[C@@H](N1C(=O)CN(C1=O)c1ccc(Oc2ccccc2)cc1)c1nc2ccc(cc2n1C)C(=O)N[C@@H](CCCCN)C#N |r|

CC[C@@H](C)[C@@H](N1C(=O)CN(C1=O)c1ccc(Oc2ccccc2)cc1)c1nc2ccc(cc2n1C)C(=O)N[C@@H](CCCCN)C#N |r|

C[C@@H](N1C(=O)CN(C1=O)c1ccc(Oc2ccccc2)cc1)c1nc2ccc(cc2n1C)C(=O)N[C@@H](CCCCN)C#N |r|

C[C@H](N1C(=O)CN(C1=O)c1ccc(Oc2ccccc2)cc1)c1nc2ccc(cc2n1C)C(=O)N[C@@H](CCCCN)C#N |r|

C[C@H](N1C(=O)CN(C1=O)c1ccc(Oc2ccncc2)cc1)c1nc2ccc(cc2n1C)C(=O)N[C@@H](CCCCN)C#N |r|

C[C@H](N1C(=O)CN(C1=O)c1ccc(F)cc1)c1nc2ccc(cc2n1C)C(=O)N[C@@H](CCCCN)C#N |r|

CC(C)[C@H](N1C(=O)CN(C1=O)c1ccc(Oc2ccccc2)cc1)c1nc2ccc(cc2n1C)C(=O)N[C@@H](CCCCN)C#N |r|

C[C@@H](N1C(=O)CN(C1=O)c1ccc(F)cc1)c1nc2ccc(cc2n1C)C(=O)N[C@@H](CCCCN)C#N |r|

C[C@@H](N1C(=O)CN(C1=O)c1ccc(Oc2ccncc2)cc1)c1nc2ccc(cc2n1C)C(=O)N[C@@H](CCCCN)C#N |r|

Cn1c(CN2C(=O)CN(C2=O)c2ccc(F)cc2)nc2ccc(cc12)C(=O)N[C@@H](CCCCN)C#N |r|

N[C@H](C(C1CCCCC1)C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)NCC1CCC(N)CC1 |wU:21.24,wD:1.0,(8.57,-5.29,;9.89,-4.53,;9.89,-2.99,;11.24,-2.22,;12.55,-2.99,;13.9,-2.22,;13.9,-.68,;12.58,.09,;11.23,-.68,;8.57,-2.21,;7.23,-2.98,;5.9,-2.21,;5.9,-.67,;7.23,.1,;8.57,-.67,;11.24,-5.3,;11.24,-6.84,;12.72,-4.89,;13.26,-3.44,;14.8,-3.51,;15.22,-5,;13.92,-5.85,;13.86,-7.39,;12.49,-8.1,;15.15,-8.21,;16.52,-7.51,;17.82,-8.32,;17.78,-9.66,;18.86,-11.05,;17.78,-12.17,;18.86,-13.25,;17.85,-10.92,;16.76,-9.44,)|

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|

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|

CCN(CC)C(=O)CN[C@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1Cl

N[C@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1OCC(=O)NC1CC1

N[C@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1Cl

N[C@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1OCC(N)=O

CCOC(=O)C(Cc1cccc(c1)C(N)=N)NC(=O)CNS(=O)(=O)c1ccc(cc1)C(N)=S

CCOC(=O)C(Cc1ccc(cc1)C(N)=N)NC(=O)CNS(=O)(=O)c1ccc(cc1)C#N

NC(=N)c1ccc(CC(NC(=O)CNS(=O)(=O)c2ccc(cc2)C(N)=N)C(O)=O)cc1

CCOC(=O)C(Cc1cccc(c1)C(N)=N)NC(=O)CNS(=O)(=O)c1ccc(cc1)C#N

CCOC(=O)C(Cc1ccc(cc1)C(N)=N)NC(=O)CNS(=O)(=O)c1ccc(cc1)C(N)=S

CCOC(=O)C(Cc1cccc(c1)C(N)=N)NC(=O)CNS(=O)(=O)c1ccc(cc1)C(N)=N

NC(=N)c1ccc(cc1)S(=O)(=O)NCC(=O)NC(Cc1cccc(c1)C(N)=N)C(O)=O

CCOC(=O)C(Cc1ccc(cc1)C(N)=N)NC(=O)CNS(=O)(=O)c1ccc(cc1)C(N)=N

O=C(CCNC(=O)OCc1ccccc1)OCN1C(=O)c2ccccc2S1(=O)=O

O=C(CCCCNC(=O)OCc1ccccc1)OCN1C(=O)c2ccccc2S1(=O)=O

CN(C1CCCC1)C(=O)[C@H](Cc1ccc(cc1)C(N)=NN)NS(=O)(=O)c1ccc2ccccc2c1 |w:19.21|

CC(C)c1nc2nc(C)c(cc2[nH]1)-c1ccc(C[C@H](NC(=O)[C@H]2CC[C@H](CN)CC2)C(=O)Nc2ccc(cc2)-c2nnc([nH]2)C(F)(F)C(F)(F)C(O)=O)cc1 |r,wU:25.27,wD:22.23,18.19,(16.63,-38.54,;17.41,-37.21,;18.95,-37.23,;16.65,-35.87,;17.29,-34.47,;16.15,-33.42,;16.14,-31.87,;14.8,-31.11,;14.8,-29.57,;13.48,-31.88,;13.48,-33.42,;14.8,-34.18,;15.11,-35.7,;12.14,-31.11,;10.81,-31.88,;9.48,-31.11,;9.48,-29.57,;8.14,-28.8,;8.14,-27.26,;6.82,-26.49,;5.48,-27.26,;4.15,-26.49,;5.48,-28.8,;4.15,-29.58,;4.15,-31.12,;5.48,-31.88,;5.48,-33.42,;4.15,-34.19,;6.81,-31.12,;6.81,-29.58,;9.48,-26.49,;9.48,-24.95,;10.82,-27.26,;12.15,-26.49,;13.48,-27.27,;14.81,-26.49,;14.82,-24.95,;13.47,-24.19,;12.15,-24.96,;16.14,-24.18,;16.3,-22.65,;17.81,-22.33,;18.58,-23.66,;17.55,-24.8,;20.12,-23.65,;20.9,-24.98,;19.34,-24.98,;20.88,-22.31,;20.11,-20.98,;21.65,-20.98,;22.42,-22.31,;23.2,-23.64,;23.19,-20.97,;10.81,-28.8,;12.14,-29.56,)|

NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc(cc1)S(N)(=O)=O

NC[C@H]1CC[C@@H](CC1)C(O)=O |r,wU:5.8,wD:2.1,(1.2,4.21,;-.14,3.44,;-.14,1.9,;-1.47,1.13,;-1.47,-.41,;-.14,-1.18,;1.2,-.41,;1.2,1.13,;-.14,-2.72,;-1.47,-3.49,;1.2,-3.49,)|

CC(C)NC(=O)c1ccc(c(C)n1)-c1ccc(C[C@H](NC(=O)[C@H]2CC[C@H](CN)CC2)C(=O)Nc2cc(Cl)c3oc(=O)[nH]c3c2)cc1 |r,wU:25.26,wD:22.22,18.18,(44.05,-15.78,;44.05,-14.24,;45.38,-13.46,;42.71,-13.47,;41.38,-14.24,;41.38,-15.78,;40.04,-13.48,;38.71,-14.25,;37.38,-13.48,;37.38,-11.94,;38.7,-11.17,;38.7,-9.63,;40.04,-11.93,;36.04,-11.17,;34.71,-11.94,;33.38,-11.17,;33.38,-9.63,;32.05,-8.86,;32.05,-7.32,;30.72,-6.55,;29.38,-7.32,;28.05,-6.55,;29.38,-8.86,;28.05,-9.64,;28.05,-11.18,;29.38,-11.94,;29.38,-13.48,;28.05,-14.25,;30.71,-11.18,;30.71,-9.64,;33.38,-6.55,;33.38,-5.01,;34.72,-7.32,;36.05,-6.55,;36.05,-5.02,;37.37,-4.25,;37.37,-2.71,;38.72,-5.01,;40.19,-4.54,;41.09,-5.79,;42.63,-5.8,;40.17,-7.03,;38.71,-6.55,;37.38,-7.33,;34.71,-8.86,;36.04,-9.62,)|

CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C=O |r|

[#7]\[#6](-[#7])=[#7]/c1ccc(cc1)-[#6](=O)-[#8]-c1ccc2cc(ccc2c1)-[#6](-[#7])=[#7]

C[C@@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)NCCCCCC(N)=O |r|

[O-]S(=O)(=O)Oc1ccc(cc1)-c1nc2ccccc2c(=O)n1CCCCCCCCn1cc(COc2cc(OS([O-])(=O)=O)cc3oc(-c4ccc(OS([O-])(=O)=O)c(OS([O-])(=O)=O)c4)c(OS([O-])(=O)=O)c(=O)c23)nn1

Cc1ccc(cc1)S(=O)(=O)N[C@@H](CCCCN)C(=O)Nc1ccc(cc1)[N+]([O-])=O |r|

[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]S([#6])(=O)=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O |r|

CC[C@@H](C)[C@@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)Nc1ccc(cc1)C(=O)c1ccccc1 |r|

NCCCC[C@H](NC(=O)[C@H]1CC[C@H](CN)CC1)C(=O)Nc1ccc(cc1)C(=O)c1ccccc1 |r,wU:9.8,5.4,wD:12.12,(41.45,-4.61,;41.45,-6.15,;40.11,-6.93,;40.11,-8.47,;38.77,-9.24,;38.77,-10.79,;37.43,-11.56,;36.1,-10.79,;36.1,-9.24,;34.77,-11.56,;34.78,-13.09,;33.45,-13.87,;32.11,-13.1,;30.78,-13.87,;29.44,-13.1,;32.11,-11.56,;33.44,-10.79,;40.11,-11.56,;40.11,-13.11,;41.45,-10.79,;42.78,-11.55,;42.78,-13.09,;44.12,-13.86,;45.45,-13.09,;45.44,-11.54,;44.11,-10.78,;46.79,-13.85,;46.79,-15.39,;48.12,-13.08,;49.45,-13.85,;50.78,-13.08,;50.77,-11.54,;49.43,-10.77,;48.1,-11.55,)|

NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)COc1ccc(cc1)C(=O)c1ccccc1 |r,wU:5.8,11.12,wD:2.1,(11.41,-15.86,;12.74,-16.63,;14.07,-15.86,;15.41,-16.63,;16.75,-15.86,;16.73,-14.32,;15.4,-13.55,;14.07,-14.32,;18.06,-13.55,;18.06,-12,;19.4,-14.32,;20.74,-13.55,;20.74,-12,;22.07,-11.23,;22.07,-9.69,;23.41,-8.92,;23.41,-7.37,;24.75,-6.6,;24.75,-5.06,;26.08,-7.37,;27.41,-6.6,;27.41,-5.06,;28.75,-4.3,;28.75,-2.76,;27.41,-1.99,;26.08,-2.77,;26.08,-4.31,;22.07,-14.32,;22.07,-15.87,;23.41,-13.55,;24.74,-14.33,;26.08,-13.56,;27.4,-14.33,;28.73,-13.57,;28.74,-12.02,;27.39,-11.25,;26.06,-12.03,;30.07,-11.25,;30.07,-9.71,;31.4,-12.02,;31.39,-13.56,;32.73,-14.33,;34.06,-13.56,;34.06,-12.01,;32.72,-11.25,)|

CCCCCCCCNC(=O)[C@H](Cc1ccc(cc1)OCc2ccc3ccccc3n2)NC(=O)C4CCC(CC4)CN

CC(C)NC(=O)c1ccc(c(C)c1)-c1ccc(C[C@H](NC(=O)[C@H]2CC[C@H](CN)CC2)C(=O)Nc2cc(Cl)c3cn[nH]c3c2)cc1 |r,wU:25.26,wD:22.22,18.18,(23.11,-16.8,;23.1,-15.26,;24.43,-14.49,;21.77,-14.5,;20.43,-15.27,;20.44,-16.81,;19.1,-14.5,;17.76,-15.28,;16.43,-14.51,;16.43,-12.97,;17.76,-12.19,;17.75,-10.65,;19.09,-12.96,;15.1,-12.2,;13.76,-12.97,;12.43,-12.2,;12.44,-10.66,;11.11,-9.89,;11.11,-8.35,;9.77,-7.58,;8.44,-8.35,;7.1,-7.58,;8.44,-9.89,;7.11,-10.66,;7.11,-12.2,;8.44,-12.97,;8.44,-14.51,;7.1,-15.28,;9.77,-12.2,;9.77,-10.66,;12.44,-7.58,;12.44,-6.04,;13.77,-8.35,;15.11,-7.58,;15.1,-6.05,;16.43,-5.27,;16.42,-3.73,;17.77,-6.04,;19.23,-5.58,;20.13,-6.82,;19.22,-8.06,;17.76,-7.58,;16.44,-8.35,;13.76,-9.89,;15.09,-10.65,)|

Cc1cc(ccc1-c1ccc(C[C@H](NC(=O)[C@H]2CC[C@H](CN)CC2)C(=O)Nc2ccc3c(c2)[nH][nH]c3=O)cc1)S(=O)(=O)N1CCCC1 |r,wU:19.20,wD:16.16,12.12,(63.46,-11.08,;63.46,-12.62,;64.8,-13.38,;64.8,-14.93,;63.47,-15.7,;62.14,-14.94,;62.14,-13.39,;60.8,-12.63,;59.47,-13.4,;58.14,-12.63,;58.14,-11.08,;56.81,-10.31,;56.81,-8.77,;55.48,-8,;54.14,-8.77,;52.81,-8,;54.14,-10.31,;52.81,-11.09,;52.81,-12.63,;54.14,-13.39,;54.14,-14.93,;52.81,-15.7,;55.47,-12.63,;55.47,-11.09,;58.14,-8,;58.14,-6.46,;59.48,-8.77,;60.81,-8,;62.14,-8.78,;63.47,-8,;63.47,-6.46,;62.13,-5.7,;60.81,-6.47,;62.44,-4.19,;63.97,-4.02,;64.61,-5.42,;66.12,-5.73,;59.46,-10.31,;60.8,-11.08,;66.14,-15.7,;66.9,-14.36,;67.68,-15.69,;66.14,-17.24,;64.91,-18.14,;65.39,-19.61,;66.93,-19.6,;67.4,-18.14,)|

CCOC(=O)c1ccc(c(C)n1)-c1ccc(C[C@H](NC(=O)[C@H]2CC[C@H](CN)CC2)C(=O)Nc2ccc(cc2)-c2nn[nH]n2)cc1 |r,wU:24.25,wD:21.21,17.17,(24.34,-30.13,;23.01,-30.9,;21.67,-30.14,;20.34,-30.91,;20.35,-32.45,;19.01,-30.15,;17.67,-30.92,;16.34,-30.15,;16.34,-28.61,;17.66,-27.84,;17.66,-26.3,;19,-28.6,;15.01,-27.84,;13.67,-28.61,;12.34,-27.84,;12.35,-26.3,;11.01,-25.53,;11.01,-23.99,;9.68,-23.22,;8.34,-23.99,;7.01,-23.22,;8.34,-25.53,;7.02,-26.3,;7.02,-27.84,;8.34,-28.61,;8.34,-30.15,;7.01,-30.92,;9.67,-27.84,;9.67,-26.3,;12.35,-23.22,;12.35,-21.68,;13.68,-23.99,;15.01,-23.22,;16.34,-23.99,;17.67,-23.22,;17.68,-21.68,;16.34,-20.91,;15.01,-21.69,;19.01,-20.9,;20.42,-21.52,;21.45,-20.38,;20.68,-19.04,;19.17,-19.37,;13.67,-25.53,;15,-26.29,)|

CNC(=O)c1ccc(NC(=O)[C@H](Cc2ccc(cc2)-c2cc3[nH]cc(C(O)=O)c(=O)c3cc2C)NC(=O)[C@H]2CC[C@H](CN)CC2)cc1Cl |r,wU:40.43,wD:37.39,11.11,(20.68,-5.12,;19.35,-5.89,;18.02,-5.13,;18.02,-3.59,;16.68,-5.9,;16.68,-7.44,;15.35,-8.22,;14.02,-7.44,;12.68,-8.21,;11.35,-7.44,;11.35,-5.9,;10.01,-8.21,;10.01,-9.75,;11.35,-10.52,;11.34,-12.06,;12.67,-12.83,;14.01,-12.06,;14,-10.51,;12.67,-9.75,;15.34,-12.83,;15.34,-14.37,;16.67,-15.13,;16.67,-16.66,;18,-17.45,;19.33,-16.68,;20.66,-17.46,;22,-16.69,;20.65,-19,;19.35,-15.13,;20.67,-14.37,;18.01,-14.37,;18.01,-12.82,;16.67,-12.06,;16.66,-10.52,;8.69,-7.44,;7.35,-8.21,;6.02,-7.44,;7.35,-9.75,;6.02,-10.52,;6.02,-12.06,;7.35,-12.83,;7.35,-14.37,;6.02,-15.14,;8.68,-12.06,;8.68,-10.52,;14.01,-5.91,;15.34,-5.14,;15.34,-3.6,)|

CC(C)c1nc2cc(C)c(cc2[nH]1)-c1ccc(C[C@H](NC(=O)[C@H]2CC[C@H](CN)CC2)C(=O)Nc2ccc(cc2)-c2nnc([nH]2)C(F)(F)C(F)(F)C(O)=O)cc1 |r,wU:25.27,wD:22.23,18.19,(59.05,-21.3,;59.83,-19.97,;61.37,-19.99,;59.08,-18.63,;59.72,-17.22,;58.58,-16.18,;58.56,-14.63,;57.23,-13.87,;57.22,-12.33,;55.9,-14.64,;55.9,-16.18,;57.23,-16.94,;57.54,-18.46,;54.57,-13.87,;53.24,-14.64,;51.9,-13.87,;51.91,-12.33,;50.57,-11.56,;50.57,-10.02,;49.24,-9.25,;47.91,-10.02,;46.58,-9.25,;47.91,-11.56,;46.58,-12.34,;46.58,-13.88,;47.91,-14.64,;47.91,-16.18,;46.58,-16.95,;49.24,-13.88,;49.24,-12.34,;51.91,-9.25,;51.91,-7.71,;53.24,-10.02,;54.58,-9.25,;55.91,-10.02,;57.23,-9.25,;57.24,-7.71,;55.9,-6.94,;54.57,-7.72,;58.57,-6.94,;58.73,-5.41,;60.24,-5.08,;61.01,-6.42,;59.98,-7.56,;62.55,-6.41,;63.32,-7.74,;61.77,-7.74,;63.31,-5.07,;62.54,-3.74,;64.07,-3.73,;64.85,-5.06,;65.63,-6.39,;65.62,-3.73,;53.23,-11.56,;54.57,-12.32,)|

CC[C@H](C)[C@@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(CCCCCCN)C1CSCCC1=O

CC[C@@H](C)[C@@H](N)C(=O)N[C@@H](Cc1ccc(OCc2ccncc2)cc1)C(=O)N[C@@H](CCCCN)C#N |r|

NC(=N)c1ccc(CNC(=O)[C@H](CCc2ccccc2)NC(=O)[C@@H](CO)NS(=O)(=O)Cc2ccccc2)cc1 |r|

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|

NC(=N)c1ccc(CNC(=O)[C@H](CCc2ccncc2)NC(=O)[C@@H](CCCc2ccccc2)NS(=O)(=O)Cc2ccccc2)cc1 |r|

NC(=N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCC(C2)C(=O)NCc2cccs2)c1 |r|

C(CCC(=O)O)CCN

Cc1ccc(cc1)S(=O)(=O)N[C@@H](CCCCN)C(=O)Nc1ccc(cc1)C(=O)c1ccccc1 |r|

CCCCCCCCNC(=O)[C@H](Cc1ccc(cc1)OCc2ccncc2)NC(=O)C3CCC(CC3)CN

Cc1nc2[nH]c(nc2cc1-c1ccc(C[C@H](NC(=O)[C@H]2CC[C@H](CN)CC2)C(=O)Nc2cc(Cl)c3[nH]c(=O)[nH]c3c2)cc1)C1CC1 |r,wU:22.24,wD:19.20,15.16,(55.88,-32.78,;57.22,-32.01,;58.55,-32.78,;59.89,-32,;61.36,-32.46,;62.26,-31.21,;61.34,-29.97,;59.88,-30.46,;58.54,-29.69,;57.22,-30.47,;55.89,-29.7,;54.55,-30.47,;53.22,-29.7,;53.23,-28.16,;51.89,-27.39,;51.89,-25.85,;50.56,-25.08,;49.23,-25.85,;47.89,-25.08,;49.23,-27.39,;47.9,-28.16,;47.9,-29.7,;49.23,-30.47,;49.23,-32.01,;47.89,-32.78,;50.55,-29.7,;50.55,-28.16,;53.23,-25.08,;53.23,-23.54,;54.56,-25.85,;55.89,-25.08,;55.89,-23.55,;57.22,-22.77,;57.21,-21.23,;58.56,-23.53,;60.03,-23.06,;60.93,-24.32,;62.47,-24.32,;60.02,-25.56,;58.55,-25.08,;57.23,-25.85,;54.55,-27.39,;55.88,-28.15,;63.8,-31.19,;65.14,-31.94,;65.12,-30.4,)|

OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCC1CCCC(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)C1=O |r|

NCCCCCC(=O)N[C@@H](CCCCN)C(=O)Nc1ccc(cc1)C(=O)c1ccccc1 |r|

NCCCCCCN(CCCCCCN)C1CSCCC1=O

NCc1cccc(C[C@H](NC(=O)[C@@H](Cc2ccc3ccccc3c2)NS(=O)(=O)Cc2ccccc2)C(=O)NCc2ccc(cc2)C(N)=N)c1 |r|

Cc1cc2[nH]c(nc2cc1-c1ccc(C[C@H](NC(=O)[C@H]2CC[C@H](CN)CC2)C(=O)Nc2cc(Cl)c3[nH]c(=O)[nH]c3c2)cc1)C1CC1 |r,wU:22.24,wD:19.20,15.16,(35.34,-31.42,;36.67,-30.65,;38,-31.42,;39.34,-30.65,;40.81,-31.11,;41.71,-29.85,;40.79,-28.61,;39.33,-29.1,;38,-28.34,;36.67,-29.11,;35.34,-28.34,;34,-29.11,;32.67,-28.34,;32.68,-26.8,;31.34,-26.03,;31.34,-24.49,;30.01,-23.72,;28.68,-24.49,;27.34,-23.72,;28.68,-26.03,;27.35,-26.81,;27.35,-28.35,;28.68,-29.11,;28.68,-30.65,;27.34,-31.42,;30,-28.35,;30,-26.81,;32.68,-23.72,;32.68,-22.18,;34.01,-24.49,;35.34,-23.72,;35.34,-22.19,;36.67,-21.42,;36.66,-19.88,;38.01,-22.18,;39.48,-21.71,;40.38,-22.96,;41.92,-22.97,;39.47,-24.21,;38,-23.72,;36.68,-24.5,;34,-26.03,;35.33,-26.8,;43.25,-29.83,;44.59,-30.59,;44.57,-29.05,)|

NC(=N)c1ccc(CNC(=O)[C@@H]2CCN2C(=O)[C@H](NCC(O)=O)C2CCCCC2)cc1

Cc1cc2c(cc1-c1ccc(C[C@H](NC(=O)[C@H]3CC[C@H](CN)CC3)C(=O)Nc3cc(Cl)c4[nH]c(=O)[nH]c4c3)cc1)[nH]cc(C(O)=O)c2=O |r,wU:19.20,wD:16.16,12.12,(35.27,-11.33,;35.27,-12.87,;36.61,-13.63,;36.61,-15.18,;35.28,-15.94,;33.95,-15.18,;33.95,-13.64,;32.61,-12.87,;31.28,-13.64,;29.95,-12.87,;29.95,-11.33,;28.61,-10.56,;28.61,-9.02,;27.29,-8.25,;25.95,-9.02,;24.62,-8.25,;25.95,-10.56,;24.62,-11.34,;24.62,-12.88,;25.95,-13.64,;25.95,-15.18,;24.62,-15.95,;27.28,-12.88,;27.28,-11.34,;29.95,-8.25,;29.95,-6.71,;31.29,-9.02,;32.62,-8.25,;32.62,-6.72,;33.94,-5.95,;33.94,-4.41,;35.28,-6.7,;36.76,-6.23,;37.67,-7.49,;39.21,-7.49,;36.75,-8.74,;35.28,-8.25,;33.95,-9.03,;31.28,-10.56,;32.61,-11.33,;35.27,-17.48,;36.6,-18.26,;37.94,-17.49,;39.26,-18.27,;40.6,-17.51,;39.26,-19.81,;37.95,-15.95,;39.28,-15.18,)|

NCCCC[C@H](NC(=O)[C@H]1CC[C@H](CN)CC1)C(=O)NCOc1ccc(cc1)C(=O)c1ccccc1 |r,wU:9.8,wD:12.12,5.4,(20.82,-21.18,;20.82,-19.64,;19.49,-18.87,;19.49,-17.33,;18.16,-16.55,;18.16,-15.01,;16.83,-14.24,;15.49,-15.01,;15.49,-16.55,;14.16,-14.24,;12.83,-15,;11.5,-14.24,;11.5,-12.7,;10.16,-11.93,;10.16,-10.39,;12.83,-11.92,;14.16,-12.7,;19.5,-14.25,;19.5,-12.71,;20.83,-15.02,;22.16,-14.25,;23.49,-15.02,;24.83,-14.25,;26.15,-15.03,;27.49,-14.27,;27.49,-12.72,;26.15,-11.95,;24.82,-12.72,;28.83,-11.95,;30.16,-12.72,;28.83,-10.41,;30.17,-9.65,;30.17,-8.11,;28.83,-7.33,;27.49,-8.12,;27.5,-9.65,)|

CC[C@@H](C)[C@@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)Nc1ccc(cc1)[N+]([O-])=O |r|

COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](NC(=O)c3ncn(c3C)-c3cccc(Cl)c3F)c3cc-2ccn3)c1

Cc1cc(OCC2CCCN(C2)C(N)=N)cc(OS(=O)(=O)c2ccccc2Cl)c1

Cc1cc(OCC2CCN(CC2)C(N)=N)cc(OS(=O)(=O)c2ccccc2Cl)c1

Cc1cc(OCCCCNC(N)=N)cc(OS(=O)(=O)c2ccccc2Cl)c1

Cc1cc(OCCCNC(N)=N)cc(OS(=O)(=O)c2ccccc2Cl)c1

Cc1cc(OCCCCCNC(N)=N)cc(OS(=O)(=O)c2ccccc2Cl)c1

CN(CCOc1cc(C)cc(OS(=O)(=O)c2ccccc2Cl)c1)c1ccncc1

NC(=N)N1CCC[C@H](NC(=O)CN2CCC[C@H](NS(=O)(=O)Cc3ccccc3)C2=O)C1O

CCOC(=O)[C@@]1(CCCN(CC(=O)N[C@H]2CCCN([C@H]2O)C(N)=N)C1=O)NS(=O)(=O)Cc1ccccc1

CCOC(=O)[C@@]1(CCCN(CC(=O)N[C@H]2CCCN([C@@H]2O)C(N)=N)C1=O)NS(=O)(=O)Cc1ccccc1

COC(=O)CN(CCCc1ccc(cc1)-c1ccccc1S(N)(=O)=O)c1cccc(c1)C(N)=N

CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N2 |r|

CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(=O)NC(CCCCNC(N)=N)C(=O)N2 |r|

CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)[C@@H](C)O)[C@@H](C)CC |r|

CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N2 |r|

CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N2 |r|

CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N2 |r|

CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)[C@@H](C)O |r|

CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N2 |r|

NCCCC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N2 |r|

CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NC(CCCCNC(N)=N)C(=O)N2 |r|

CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)CN2 |r|

CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N2 |r|

NCCCC[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@@H]3CCCN3C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N2 |r|

CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N2 |r|

CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)C(CCCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N2 |r|

NCCCC[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]3CCCN3C(=O)[C@@H]3CCCN3C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N2 |r|

CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)[C@@H](C)CC |r|

NCCCC[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@@H]3CCCN3C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N2 |r|

CCCCCCCCCCOC(=O)c1ccccc1CS(=O)(=O)N[C@H]1CCCCN(CC(=O)N[C@H]2CCCN(C2O)C(N)=N)C1=O

CCCOC(=O)c1ccccc1CS(=O)(=O)N[C@H]1CCCCN(CC(=O)N[C@H]2CCCN(C2O)C(N)=N)C1=O

NC(=N)N1CCC[C@H](NC(=O)CN2CCCC[C@H](NS(=O)(=O)Cc3ccccc3)C2=O)C1O

CC(C)OC(=O)c1ccccc1CS(=O)(=O)N[C@H]1CCCCN(CC(=O)N[C@H]2CCCN(C2O)C(N)=N)C1=O

COC(=O)c1ccccc1CS(=O)(=O)N[C@H]1CCCCN(CC(=O)N[C@H]2CCCN(C2O)C(N)=N)C1=O

NC(=N)N1CCC[C@H](NC(=O)CN2CCCC[C@H](N3C(=O)c4ccccc4CS3(=O)=O)C2=O)C1O

NC(=N)N1CCC[C@H](NC(=O)CN2CCCC[C@H](NS(=O)(=O)Cc3ccccc3C(=O)OCC3CCCCC3)C2=O)C1O

NC(=N)N1CCC[C@H](NC(=O)CN2CCCC[C@H](NS(=O)(=O)Cc3ccccc3C(O)=O)C2=O)C1O

CS(=O)(=O)Nc1c(CCC2CCCCC2)ccn(CC(=O)N[C@H]2CCCN(C2O)C(N)=N)c1=O

NC(=N)N1CCC[C@H](NC(=O)Cn2ccc(CCc3ccccc3)c(NS(=O)(=O)c3ccccc3)c2=O)C1O

CNS(=O)(=O)Nc1c(CCc2ccccc2)ccn(CC(=O)N[C@H]2CCCN(C2O)C(N)=N)c1=O

CS(=O)(=O)Nc1c(CCCc2ccccc2)ccn(CC(=O)N[C@H]2CCCN(C2O)C(N)=N)c1=O

CC(=O)Nc1c(CCc2ccccc2)ccn(CC(=O)N[C@H]2CCCN(C2O)C(N)=N)c1=O

NC(=N)N1CCC[C@H](NC(=O)CN2CCCC(NS(=O)(=O)Cc3ccccc3)C2=O)C1O

CS(=O)(=O)Nc1c(CCc2ccccc2)ccn(CC(=O)N[C@H]2CCCN(C2O)C(N)=N)c1=O

NC(=N)N1CCC[C@H](NC(=O)Cn2cccc(NS(=O)(=O)Cc3ccccc3)c2=O)C1O

NC(=N)N1CCC[C@H](NC(=O)Cn2ccc(CCc3ccccc3)c(NS(=O)(=O)CC(F)(F)F)c2=O)C1O

N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCl)CCCNC(N)=N

NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCN2CC[C@@](N)(Cc3ccccc3)CN12)C(=O)c1nc2ccccc2s1

NC(=N)NCCC[C@@H](CCl)NC(=O)[C@@H]1CCN2CC[C@@](N)(Cc3ccccc3)CN12

NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCC2CC[C@@](N)(Cc3ccccc3)CN12)C(=O)c1nc2ccccc2s1

CNc1ccc(cc1)C#CC[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N(C)C1CCCC1

CNc1ccc(cc1)C#CC[C@H](NS(=O)(=O)c1ccc2cc(OC)ccc2c1)C(=O)N(C)C1CCCC1

CNc1ccc(cc1)C#CC[C@H](NS(=O)(=O)c1ccc2CCCCc2c1)C(=O)N(C)C1CCCC1

CCCc1ccc(cc1)S(=O)(=O)N[C@@H](CC#Cc1ccc(NC)cc1)C(=O)N(C)C1CCCC1

Nc1ccc(cc1)[C@H](NS(=O)(=O)c1cnccc1N[C@H](CO)Cc1ccccc1)C(=O)N1CCC(CCF)CC1

CC[C@H](C)[C@@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CSCCC1=O

CCC(C)[C@@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(CCCCCCN)C1CCCCC1

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|

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|

COc1ccc2CC[C@H](NS(=O)(=O)Cc3ccccc3)C(=O)N(CC(=O)N[C@H]3CCCN(C3O)C(N)=N)c2c1

NC(=N)N1CCC[C@H](NC(=O)CN2c3ccccc3CC[C@@H](NS(=O)(=O)Cc3ccccc3)C2=O)C1O

COc1ccc2N(CC(=O)N[C@H]3CCCN(C3O)C(N)=N)C(=O)[C@H](CCc2c1)NS(=O)(=O)Cc1ccccc1

NC(=N)N1CCC[C@H](NC(=O)CN2C(=O)C(Cc3ccccc23)NS(=O)(=O)Cc2ccccc2)C1O

COc1ccc2N(CC(=O)N[C@H]3CCCN(C3O)C(N)=N)C(=O)[C@H](CCc2c1)NS(=O)(=O)CC1CCCCC1

NC(=N)N1CCC[C@H](NC(=O)CN2c3ccccc3CC[C@H](NS(=O)(=O)Cc3ccccc3)C2=O)C1O

COc1ccc2N(CC(=O)N[C@H]3CCCN(C3O)C(N)=N)C(=O)[C@H](CCc2c1)NS(=O)(=O)c1ccc2ccccc2c1

COc1cccc2N(CC(=O)N[C@H]3CCCN(C3O)C(N)=N)C(=O)[C@H](CCc12)NS(=O)(=O)Cc1ccccc1

OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC[C@H]1CCC[C@@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)C1=O

OC(=O)[C@H](Cc1ccccc1)NC(=O)CC[C@H]1CCC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C1=O

OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC[C@H]1CCC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C1=O

OC(=O)[C@H](Cc1ccccc1)NC(=O)CC[C@H]1CCC[C@@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)C1=O

NC(=N)c1ccc(O)c(CN2CC[C@H](NS(=O)(=O)c3cc4nc(Cl)ccc4s3)C2=O)c1

NC(=N)c1ccc(O)c(CN2CC[C@H](NS(=O)(=O)c3cc4ncccc4s3)C2=O)c1 |r|

NC(=N)c1ccc(N)c(CN2CC[C@H](NS(=O)(=O)c3cc4nc(Cl)ccc4s3)C2=O)c1

NC(=N)c1ccc(O)c(CN2CC[C@H](NS(=O)(=O)c3cc4ccnc(Cl)c4s3)C2=O)c1

NC(=N)c1ccc(O)c(CN2CC[C@H](NS(=O)(=O)c3cc4c(Cl)nccc4s3)C2=O)c1

COc1ccc2ccc(cc2c1)S(=O)(=O)N[C@H]1CCN(Cc2cc(ccc2O)C(N)=N)C1=O |r|

NC(=N)c1ccc(O)c(CN2CC[C@H](NS(=O)(=O)c3cc4ccncc4s3)C2=O)c1

NC(=N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3cc4nc(Cl)ccc4s3)C2=O)c1

NC(=N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3cc4ncccc4s3)C2=O)c1

COc1ccc2sc(cc2n1)S(=O)(=O)N[C@H]1CCN(Cc2cc(ccc2N)C(N)=N)C1=O

NC(=N)c1ccc(O)c(CN2CC[C@H](NS(=O)(=O)c3cc4cnccc4s3)C2=O)c1

CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCN(C)CC1

CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)S(C)(=O)=O

[H]/N=C(/c1cccc(c1)C[C@@H](C(=O)N2CCNCC2)NS(=O)(=O)c3ccc4ccccc4c3)N

NC(=N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCOCC2)c1

NC(=N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCC2)c1

CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCCCC1

CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCCCC1C(O)=O

CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCC(C)CC1

NC(=N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)c1

CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCCCCC1

COC(=O)C1CCCCN1C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C

NC(=N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCCCC2)c1

CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CC1)C(O)=O

CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCOCC1

CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCCC(C1)C(O)=O

CCOC(=O)N1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C

CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCCCCCC1

CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)C(C)=O

CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCCC1

CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCNCC1

CNC(=O)C1CCCN(C1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C

COC(=O)C1CCCN(C1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C

CNC(=O)C1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C

COC(=O)C1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C

NC(=N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCCC2)c1

COC(=O)N1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C

NC(=N)N1CCC[C@H](NC(=O)CNC(=O)[C@@H](CCNC(=O)c2cncc(Br)c2)NC(=O)OCc2ccccc2)C1O

Cc1cnc(cn1)C(=O)NCC[C@@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)N[C@H]1CCCN(C1O)C(N)=N

NC(=N)N1CCC[C@H](NC(=O)CNC(=O)[C@@H](CCNC(=O)c2cnnc3ccccc23)NS(=O)(=O)Cc2ccccc2)C1O

NC(=N)N1CCC[C@H](NC(=O)CNC(=O)[C@@H](CCNC(=O)c2cnc3ccccc3c2)NS(=O)(=O)Cc2ccccc2)C1O

NC(=N)N1CCC[C@H](NC(=O)CNC(=O)[C@@H](CCNC(=O)c2nccc3ccccc23)NC(=O)OCc2ccccc2)C1O

NC(=N)N1CCC[C@H](NC(=O)CNC(=O)[C@@H](CCCNC(=O)c2cnccn2)NS(=O)(=O)Cc2ccccc2)C1O

NC(=N)N1CCC[C@H](NC(=O)CNC(=O)[C@@H](CNC(=O)c2cnccn2)NS(=O)(=O)Cc2ccccc2)C1O

NC(=N)N1CCC[C@H](NC(=O)CNC(=O)[C@@H](CCNC(=O)c2cnc3ccccc3c2)NC(=O)OCc2ccccc2)C1O

NC(=N)N1CCC[C@H](NC(=O)CNC(=O)[C@@H](CCNC(=O)c2ccc3ccccc3n2)NS(=O)(=O)Cc2ccccc2)C1O

NC(=N)N1CCC[C@H](NC(=O)CNC(=O)[C@@H](CCNC(=O)c2cnccn2)NC(=O)OCc2ccccc2)C1O

NC(=N)N1CCC[C@H](NC(=O)CNC(=O)[C@@H](CCNC(=O)c2cncc(Br)c2)NS(=O)(=O)Cc2ccccc2)C1O

NC(=N)N1CCC[C@H](NC(=O)CNC(=O)[C@@H](CCNC(=O)c2nccc3ccccc23)NS(=O)(=O)Cc2ccccc2)C1O

NC(=N)N1CCC[C@H](NC(=O)CNC(=O)[C@@H](CCNC(=O)c2cccnc2)NS(=O)(=O)Cc2ccccc2)C1O

NC(=N)N1CCC[C@H](NC(=O)CNC(=O)[C@@H](CCNC(=O)c2ccc(=O)[nH]c2)NS(=O)(=O)Cc2ccccc2)C1O

NC(=N)N1CCC[C@H](NC(=O)CNC(=O)[C@@H](CCNC(=O)c2cnccn2)NS(=O)(=O)Cc2ccccc2)C1O

NC(=N)N1CCC[C@H](NC(=O)CNC(=O)[C@@H](CCNC(=O)c2ccccn2)NS(=O)(=O)Cc2ccccc2)C1O

NC(=N)N1CCC[C@H](NC(=O)CNC(=O)[C@@H](CCNC(=O)c2cn[nH]c2)NC(=O)OCc2ccccc2)C1O

c1(c(nc(c(n1)Cl)N)N)C(=O)NC(=N)N

NC(=N)NC(=O)c1nc(-c2cc3ccccc3o2)c(N)nc1N

NC(=N)c1ccc(O)c(CCCNC(=O)c2ccc(cc2)-c2cccc(c2)C(N)=O)c1

NC(=N)c1ccc(O)c(\C=C\CNC(=O)c2ccc(cc2)-c2ccnc(c2)C(N)=O)c1

COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](C)NC(=O)c1ccc(cc1)-c1cccc(c1)C(N)=O

CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC1=O)C(N)=O)NC(C)=O |r|

CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CSSC[C@H](NC(=O)CNC1=O)C(N)=O)NC(C)=O |r|

CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CSSC[C@H](NC(=O)CNC1=O)C(O)=O |r|

COC(=O)c1ccccc1CS(=O)(=O)N[C@H](CC1CCCN(C1)C(N)=N)C(=O)NCC(=O)N[C@H]1CCCN(C1O)C(N)=N

NC(=N)N1CCCC(C[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)NCC(=O)N[C@H]2CCCN(C2O)C(N)=N)C1

NC(=N)N1CCCC(C[C@@H](NS(=O)(=O)Cc2ccccc2C(O)=O)C(=O)NCC(=O)N[C@H]2CCCN(C2O)C(N)=N)C1

NC(=N)NCCC[C@@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)N[C@H]1CCCN(C1O)C(N)=N

COC(=O)c1cccc(CS(=O)(=O)N[C@H](CC2CCN(CC2)C(N)=N)C(=O)NCC(=O)N[C@H]2CCCN(C2O)C(N)=N)c1

NC(=N)NCCC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)NCC(=O)N[C@H]1CCCN(C1O)C(N)=N

NC(=N)N1CCC(C[C@@H](NS(=O)(=O)Cc2cccc(c2)C(O)=O)C(=O)NCC(=O)N[C@H]2CCCN(C2O)C(N)=N)CC1

COC(=O)c1ccccc1CS(=O)(=O)N[C@H](CC1CCN(CC1)C(N)=N)C(=O)NCC(=O)N[C@H]1CCCN(C1O)C(N)=N

NC(=N)N1CCC(C[C@@H](NS(=O)(=O)Cc2ccccc2-n2cnnn2)C(=O)NCC(=O)N[C@H]2CCCN(C2O)C(N)=N)CC1

NC(=N)N1CCC(CC1)C(NS(=O)(=O)Cc1ccccc1)C(=O)NCC(=O)N[C@H]1CCCN(C1O)C(N)=N

NC(=N)N1CCC(C[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)NCC(=O)N[C@H]2CCCN(C2O)C(N)=N)CC1

NC(=N)N1CCC(C[C@@H](NS(=O)(=O)Cc2ccccc2C(O)=O)C(=O)NCC(=O)N[C@H]2CCCN(C2O)C(N)=N)CC1

CCOC(=O)c1ccc(CCOC(=O)N[C@H](CC2CCN(CC2)C(N)=N)C(=O)NCC(=O)N[C@H]2CCCN(C2O)C(N)=N)cc1

COC(=O)N[C@H](CC1CCN(CC1)C(N)=N)C(=O)NCC(=O)N[C@H]1CCCN(C1O)C(N)=N

[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)OCc1ccccc1

[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)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])(NS(=O)(=O)NC4CCCCC4)C(=O)N1)cc3)cc2)C(=O)NCc1ccc(CN)cc1

[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

[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)Cc1ccccc1

[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)NCCCCN

[H][C@]1(Cc2ccc(NC(=O)CN3CCN(CC3)CC(=O)Nc3ccc(C[C@@]([H])(NS(=O)(=O)N(C)C)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)NS(=O)(=O)c1ccccc1

[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][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)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)CN3CCN(CC3)CC(=O)Nc3ccc(C[C@]([H])(NC1=O)C(=O)NCc1ccc(cc1)C(N)=N)cc3)cc2)NC(=O)Cc1ccccc1

[H][C@@]1(N)Cc2ccc(NC(=O)CCN3CCN(CC3)CCC(=O)Nc3ccc(C[C@]([H])(NC1=O)C(=O)NCc1ccc(cc1)C(N)=N)cc3)cc2

[H][C@@]1(N)Cc2ccc(NC(=O)CN3CCN(CC3)CC(=O)Nc3ccc(C[C@]([H])(NC1=O)C(=O)NCc1ccc(cc1)C(N)=N)cc3)cc2

[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

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

[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)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)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)NC(=O)CCc1ccccc1

[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)CCN3CCN(CC3)CCC(=O)Nc3ccc(C[C@]([H])(NC1=O)C(=O)NCc1ccc(cc1)C(N)=N)cc3)cc2)NC=O

CC1=C(CC(=O)NCc2cc(Cl)ccc2CN)C(=O)N(CC1)NCc1cccc(c1)C(O)=O |c:1|

CC1=C(CC(=O)NCc2cc(Cl)ccc2CN)C(=O)N(CC1)NCc1ccccc1 |c:1|

CC(O)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@H]1CCCN(C1O)C(N)=N

C[C@H](NC(=O)[C@@H](CO)NC(=O)OCc1ccccc1)C(=O)N[C@H]1CCCN(C1O)C(N)=N

C[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)Cc1ccccc1)C(=O)N[C@H]1CCCN(C1O)C(N)=N

NC(=N)N1CCC[C@H](NC(=O)C2CCN2C(=O)[C@@H](CO)NC(=O)OCc2ccccc2)C1O

C[C@@H](NC(=O)[C@@H](CO)NC(=O)OCc1ccccc1)C(=O)N[C@H]1CCCN(C1O)C(N)=N

C[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)c1ccccc1)C(=O)N[C@H]1CCCN(C1O)C(N)=N

C[C@H](NC(=O)[C@@](C)(CO)NC(=O)OCc1ccccc1)C(=O)N[C@H]1CCCN(C1O)C(N)=N

CC(C)COC(=O)N[C@H](CO)C(=O)N[C@@H](C)C(=O)N[C@H]1CCCN(C1O)C(N)=N

NC(=N)N1CCCC(NC(=O)[C@H]2CCCN2C(=O)C(CO)NC(=O)OCc2ccccc2)C1O

C[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)CCc1ccccc1)C(=O)N[C@H]1CCCN(C1O)C(N)=N

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](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|

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](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|

CC1(C)CNc2c(C1)cc(CCC(=O)N1CCN(CC(=O)N3CCOCC3)CC1)cc2S(=O)(=O)N[C@@H](Cc1nc2ccccc2s1)C(=O)N1CCC(CCF)CC1

Cn1cncc1CCNC(=O)CN1CCN(CC1=O)S(=O)(=O)c1cc2ccc(Cl)cc2s1

Clc1ccc2cc(sc2c1)S(=O)(=O)N1CCN(CC(=O)NCCc2cnc[nH]2)C(=O)C1

NC[C@H]1CC[C@@H](CC1)C(=O)NC(Cc1ccc(Oc2ncccn2)cc1)C(=O)Nc1cccc(c1)C(O)=O |wU:2.1,wD:5.8,(-5.57,-3.35,;-4.8,-4.68,;-3.26,-4.68,;-2.49,-3.35,;-.95,-3.35,;-.18,-4.68,;-.95,-6.02,;-2.49,-6.02,;1.36,-4.68,;2.13,-6.02,;2.13,-3.35,;3.67,-3.35,;4.44,-2.02,;5.98,-2.02,;6.75,-3.35,;8.29,-3.35,;9.06,-2.02,;10.6,-2.02,;11.37,-.68,;12.91,-.68,;13.68,.65,;12.91,1.99,;11.37,1.99,;10.6,.65,;8.29,-.68,;6.75,-.68,;4.44,-4.68,;3.67,-6.02,;5.98,-4.68,;6.75,-6.02,;8.29,-6.02,;9.06,-7.35,;8.29,-8.68,;6.75,-8.68,;5.98,-7.35,;5.98,-10.02,;4.44,-10.02,;6.75,-11.35,)|

CCCCCCCCNC(=O)C(Cc1ccc(OCc2ccncc2)cc1)NC(=O)[C@H]1CC[C@H](CN)CC1 |wU:33.35,wD:30.31,(22.3,-4.53,;22.3,-2.99,;20.97,-2.22,;19.64,-2.99,;18.3,-2.22,;16.97,-2.99,;15.64,-2.22,;14.3,-2.99,;12.97,-2.22,;11.63,-2.99,;11.63,-4.53,;10.3,-2.22,;10.3,-.68,;11.63,.09,;12.97,-.68,;14.3,.09,;14.3,1.63,;15.64,2.4,;16.97,1.63,;18.3,2.4,;18.3,3.94,;19.64,4.71,;20.97,3.94,;20.97,2.4,;19.64,1.63,;12.97,2.4,;11.63,1.63,;8.97,-2.99,;8.97,-4.53,;10.3,-5.3,;7.63,-5.3,;6.3,-4.53,;4.97,-5.3,;4.97,-6.84,;3.63,-7.61,;2.3,-6.84,;6.3,-7.61,;7.63,-6.84,)|

Cc1nc(C)c(CCCNC(=O)C(Cc2ccc(OC(=O)OCc3ccccc3Br)cc2)NC(=O)[C@H]2CC[C@H](CN)CC2)nc1O |wU:35.36,wD:38.40,(3.86,-9.45,;3.86,-7.91,;5.19,-7.14,;5.19,-5.6,;6.53,-4.83,;3.86,-4.83,;3.86,-3.29,;2.53,-2.52,;1.19,-3.29,;-.14,-2.52,;-1.47,-3.29,;-1.47,-4.83,;-2.81,-2.52,;-2.81,-.98,;-1.47,-.21,;-.14,-.98,;1.19,-.21,;1.19,1.33,;2.53,2.1,;3.86,1.33,;3.86,-.21,;5.19,2.1,;6.53,1.33,;7.86,2.1,;7.86,3.64,;9.2,4.41,;10.53,3.64,;10.53,2.1,;9.2,1.33,;9.2,-.21,;-.14,2.1,;-1.47,1.33,;-4.14,-3.29,;-4.14,-4.83,;-2.81,-5.6,;-5.48,-5.6,;-5.48,-7.14,;-6.81,-7.91,;-8.14,-7.14,;-9.48,-7.91,;-10.81,-7.14,;-8.14,-5.6,;-6.81,-4.83,;2.53,-5.6,;2.53,-7.14,;1.19,-7.91,)|

CCCCCCCCOC(=O)[C@H]1CC[C@H](CNC(=O)C(Cc2ccc(OC(=O)OCc3ccccc3Br)cc2)NC(=O)[C@H]2CC[C@H](CN)CC2)CC1 |wU:42.43,14.14,wD:11.10,45.47,(22.77,-3.21,;21.44,-2.44,;20.1,-3.21,;18.77,-2.44,;17.44,-3.21,;16.1,-2.44,;14.77,-3.21,;13.44,-2.44,;12.1,-3.21,;10.77,-2.44,;10.77,-.9,;9.44,-3.21,;8.1,-2.44,;6.77,-3.21,;6.77,-4.75,;5.43,-5.52,;4.1,-4.75,;2.77,-5.52,;2.77,-7.06,;1.43,-4.75,;1.43,-3.21,;.1,-2.44,;.1,-.9,;-1.23,-.13,;-2.57,-.9,;-3.9,-.13,;-3.9,1.41,;-2.57,2.18,;-5.24,2.18,;-5.24,3.72,;-6.57,4.49,;-7.9,3.72,;-9.24,4.49,;-9.24,6.03,;-7.9,6.8,;-6.57,6.03,;-5.24,6.8,;-2.57,-2.44,;-1.23,-3.21,;.1,-5.52,;.1,-7.06,;1.43,-7.83,;-1.23,-7.83,;-1.23,-9.37,;-2.57,-10.14,;-3.9,-9.37,;-5.24,-10.14,;-6.57,-9.37,;-3.9,-7.83,;-2.57,-7.06,;8.1,-5.52,;9.44,-4.75,)|

CCCCCCCCNC(=O)C(Cc1ccc(OC(=O)OCc2ccccc2Br)cc1)NC(=O)[C@H]1CC[C@H](CN)CC1 |wU:37.39,wD:34.35,(15.04,-7.34,;15.04,-5.8,;13.71,-5.03,;12.37,-5.8,;11.04,-5.03,;9.71,-5.8,;8.37,-5.03,;7.04,-5.8,;5.71,-5.03,;4.37,-5.8,;4.37,-7.34,;3.04,-5.03,;3.04,-3.49,;4.37,-2.72,;5.71,-3.49,;7.04,-2.72,;7.04,-1.18,;8.37,-.41,;9.71,-1.18,;9.71,-2.72,;11.04,-.41,;12.37,-1.18,;13.71,-.41,;13.71,1.13,;15.04,1.9,;16.37,1.13,;16.37,-.41,;15.04,-1.18,;15.04,-2.72,;5.71,-.41,;4.37,-1.18,;1.7,-5.8,;1.7,-7.34,;3.04,-8.11,;.37,-8.11,;-.96,-7.34,;-2.3,-8.11,;-2.3,-9.65,;-3.63,-10.42,;-4.96,-9.65,;-.96,-10.42,;.37,-9.65,)|

CC(C)CCNC(=O)C(Cc1ccc(OC(=O)OCc2ccccc2Br)cc1)NC(=O)[C@H]1CC[C@H](CN)CC1 |wU:34.36,wD:31.32,(11.12,-6.33,;10.62,-7.79,;11.62,-8.95,;9.1,-8.08,;8.09,-6.92,;6.58,-7.21,;5.57,-6.04,;6.08,-4.59,;4.06,-6.33,;3.05,-5.17,;3.56,-3.72,;5.07,-3.42,;5.57,-1.97,;4.57,-.81,;5.07,.65,;6.58,.94,;7.59,-.22,;7.09,2.4,;8.6,2.69,;9.1,4.14,;8.09,5.31,;8.6,6.76,;10.11,7.05,;11.12,5.89,;10.62,4.43,;11.62,3.27,;3.05,-1.1,;2.55,-2.55,;3.56,-7.79,;4.57,-8.95,;6.08,-8.66,;4.06,-10.41,;2.55,-10.7,;2.05,-12.16,;3.05,-13.32,;2.55,-14.77,;1.04,-15.07,;4.57,-13.03,;5.07,-11.57,)|

CC(=O)c1ccc(NC(=O)C(Cc2ccc(OC(=O)OCc3ccccc3Br)cc2)NC(=O)[C@H]2CC[C@H](CN)CC2)cc1 |wU:36.38,wD:33.34,(8.83,-9.49,;7.29,-9.49,;6.52,-10.82,;6.52,-8.15,;7.29,-6.82,;6.52,-5.48,;4.98,-5.48,;4.21,-4.15,;2.67,-4.15,;1.9,-5.48,;1.9,-2.82,;2.67,-1.48,;4.21,-1.48,;4.98,-2.82,;6.52,-2.82,;7.29,-1.48,;8.83,-1.48,;9.6,-2.82,;8.83,-4.15,;11.14,-2.82,;11.91,-4.15,;13.45,-4.15,;14.22,-2.82,;15.76,-2.82,;16.53,-4.15,;15.76,-5.48,;14.22,-5.48,;13.45,-6.82,;6.52,-.15,;4.98,-.15,;.36,-2.82,;-.41,-4.15,;.36,-5.48,;-1.95,-4.15,;-2.72,-2.82,;-4.26,-2.82,;-5.03,-4.15,;-6.57,-4.15,;-7.34,-2.82,;-4.26,-5.48,;-2.72,-5.48,;4.21,-6.82,;4.98,-8.15,)|

NC[C@H]1CC[C@@H](CC1)C(=O)NC(Cc1ccccc1)C(=O)Nc1ccc(CC(O)=O)cc1 |wU:2.1,wD:5.8,(2.07,-8.95,;3.4,-9.72,;4.74,-8.95,;4.74,-7.41,;6.07,-6.64,;7.4,-7.41,;7.4,-8.95,;6.07,-9.72,;8.74,-6.64,;8.74,-5.1,;10.07,-7.41,;11.4,-6.64,;11.4,-5.1,;12.74,-4.33,;12.74,-2.79,;14.07,-2.02,;15.4,-2.79,;15.4,-4.33,;14.07,-5.1,;12.74,-7.41,;12.74,-8.95,;14.07,-6.64,;15.4,-7.41,;16.74,-6.64,;18.07,-7.41,;18.07,-8.95,;19.41,-9.72,;19.41,-11.26,;18.07,-12.03,;20.74,-12.03,;16.74,-9.72,;15.4,-8.95,)|

CN(CC(=O)N[C@@H](CC1CCCCC1)C(=O)C(=O)NCc1ccc2OCOc2c1)C(=O)[C@@H](CCNC(N)=N)NS(=O)(=O)Cc1ccccc1

CCOC(=O)CNC(=O)C(=O)[C@H](Cc1ccc(OC(C)(C)C)cc1)NC(=O)CN(C)C(=O)[C@@H](CCCNC(N)=N)NS(=O)(=O)Cc1ccccc1

CCCCCNC(=O)C(=O)[C@H](CC1CCCCC1)NC(=O)CN(C)C(=O)[C@@H](CCCNC(N)=N)NS(=O)(=O)Cc1ccccc1

CN(CC(=O)N[C@H]1CCCC(C1O)C(N)=N)C(=O)[C@@H](CCCNC(N)=N)NS(=O)(=O)Cc1ccccc1

CN(CC(=O)N[C@@H](CC1CCCCC1)C(=O)C(=O)NCc1ccccc1)C(=O)[C@@H](CCCNC(N)=N)NS(=O)(=O)Cc1ccccc1

CN(Cc1ccc(CN)cc1)C(=O)CCC(=O)NCc1ccc(CNC(=O)CCC(=O)N(C)Cc2ccc(CN)cc2)cc1

[#7]\[#6](-[#7])=[#7]/c1ccc(-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#6](=O)-[#7]-[#6]-c2ccc(-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#6](=O)-[#7]-[#6]-c3ccc(cc3)\[#7]=[#6](/[#7])-[#7])cc2)cc1

NCc1ccc(CNC(=O)CCC(=O)NCc2ccc(CNC(=O)CCC(=O)NCc3ccc(CN)cc3)cc2)cc1

O=C(NCc1ccccc1)N1CCN(CC1)C(=O)O[C@H]1CCC[C@H](CCC1)OC(=O)N1CCN(CC1)C(=O)NCc1ccccc1

C[C@H](NC(=O)OCc1ccc(COC(=O)N[C@@H](C)C(=O)NCc2ccc(CN)cc2)cc1)C(=O)NCc1ccc(CN)cc1

[#7]\[#6](-[#7])=[#7]/c1ccc(-[#6]-[#7]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#8]-[#6@H]-2-[#6]-[#6]-[#6]-[#6@H](-[#6]-[#6]-[#6]-2)-[#8]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#7]-[#6]-c2ccc(cc2)\[#7]=[#6](\[#7])-[#7])cc1

[#7]\[#6](-[#7])=[#7]/c1ccc(-[#6]-[#7]-[#6](=O)-[#6]-[#6](=O)-[#7]-[#6]-c2ccc(-[#6]-[#7]-[#6](=O)-[#6]-[#6](=O)-[#7]-[#6]-c3ccc(cc3)\[#7]=[#6](\[#7])-[#7])cc2)cc1

[#7]\[#6](-[#7])=[#7]/c1ccc(-[#6]-[#7]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#8]-[#6@H]-2-[#6]-[#6]-[#6]-[#6@H](-[#6]-[#6]-[#6]-2)-[#8]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#7]-[#6]-c2ccc(cc2)\[#7]=[#6](/[#7])-[#7])cc1

NCc1ccc(CNC(=O)CCCC(=O)NCc2ccc(CNC(=O)CCCC(=O)NCc3ccc(CN)cc3)cc2)cc1

[#7]\[#6](-[#7])=[#7]/c1ccc(-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#8]-[#6]-c2ccc(-[#6]-[#8]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-c3ccc(cc3)\[#7]=[#6](/[#7])-[#7])cc2)cc1

NCc1ccc(CNC(=O)CC(=O)NCc2ccc(CNC(=O)CC(=O)NCc3ccc(CN)cc3)cc2)cc1

CN(Cc1ccc(CN(C)C(=O)CCC(=O)NCc2ccc(CN)cc2)cc1)C(=O)CCC(=O)NCc1ccc(CN)cc1

NCc1ccc(CNC(=O)CNC(=O)OCc2ccc(COC(=O)NCC(=O)NCc3ccc(CN)cc3)cc2)cc1

CN(CC(=O)NCc1ccc(CN)cc1)C(=O)OCc1ccc(COC(=O)N(C)CC(=O)NCc2ccc(CN)cc2)cc1

C[C@@H](NC(=O)OCc1ccc(COC(=O)N[C@H](C)C(=O)NCc2ccc(CN)cc2)cc1)C(=O)NCc1ccc(CN)cc1

[#7]\[#6](-[#7])=[#7]/c1ccc(-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#7]-[#6](=O)-[#8]-[#6]-c2ccc(-[#6]-[#8]-[#6](=O)-[#7]-[#6]-[#6]-[#6](=O)-[#7]-[#6]-c3ccc(cc3)\[#7]=[#6](/[#7])-[#7])cc2)cc1

[#7]\[#6](-[#7])=[#7]/c1ccc(-[#6]-[#7]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#8]-[#6@@H]-2-[#6]-[#6]-[#6]-[#6@@H](-[#6]-[#6]-[#6]-2)-[#8]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#7]-[#6]-c2ccccc2)cc1

[#7]\[#6](-[#7])=[#7]/c1ccc(-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6]-c2ccc(-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6]-c3ccc(cc3)\[#7]=[#6](/[#7])-[#7])cc2)cc1

[#6]-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]-[#7]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#8]-[#6@H]-2-[#6]-[#6]-[#6]-[#6@H](-[#6]-[#6]-[#6]-2)-[#8]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#7]-[#6]-c2ccc(cc2)\[#7]=[#6](/[#7])-[#7])-[#6]-[#6]-1

[#7]\[#6](-[#7])=[#7]/c1ccc(-[#6]-[#7]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#8]-[#6@@H]-2-[#6]-[#6]-[#6]-[#6@@H](-[#6]-[#6]-[#6]-2)-[#8]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#6]-[#6]-[#6]-n2ccnc2)cc1

[#7]\[#6](-[#7])=[#7]/c1ccc(-[#6]-[#7]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#8]-[#6@@H]-2-[#6]-[#8]-[#6@@H]-3-[#6@@H](-[#6]-[#8]-[#6@H]-2-3)-[#8]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#7]-[#6]-c2ccc(cc2)\[#7]=[#6](/[#7])-[#7])cc1

NC[C@H]1CC[C@H](CNC(=O)N2CCN(CC2)C(=O)O[C@H]2CCC[C@H](CCC2)OC(=O)N2CCN(CC2)C(=O)NC[C@H]2CC[C@H](CN)CC2)CC1 |wU:23.28,19.19,40.42,5.5,wD:43.46,2.1,(30.08,-2.68,;28.89,-1.71,;27.39,-2.2,;26.22,-1.23,;24.74,-1.73,;24.44,-3.17,;22.96,-3.65,;21.77,-2.7,;20.54,-1.8,;20.74,-.33,;19.09,-2.35,;18.88,-3.82,;17.43,-4.38,;16.18,-3.48,;16.38,-2.01,;17.83,-1.45,;14.73,-4.04,;14.53,-5.5,;13.5,-3.14,;12.06,-3.7,;12.06,-5.17,;10.94,-6.22,;9.37,-6.22,;8.26,-5.17,;8.26,-3.7,;9.37,-2.65,;10.94,-2.65,;6.81,-5.74,;5.57,-4.85,;5.77,-3.38,;4.13,-5.4,;3.93,-6.86,;2.47,-7.44,;1.23,-6.52,;1.45,-5.07,;2.88,-4.5,;-.22,-7.09,;-.42,-8.54,;-1.46,-6.17,;-2.69,-5.25,;-4.13,-5.79,;-4.37,-7.24,;-5.82,-7.8,;-7.06,-6.87,;-8.5,-7.42,;-9.73,-6.5,;-6.83,-5.4,;-5.37,-4.87,;25.63,-4.15,;27.11,-3.65,)|

[#7]\[#6](-[#7])=[#7]/c1ccc(-[#6]-[#7]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#8]-[#6@@H]-2-[#6]-[#6]-[#6]-[#6@@H](-[#6]-[#6]-[#6]-2)-[#8]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#6]-[#6]-c2cnc(-[#7])nc2)cc1

[#7]\[#6](-[#7])=[#7]/c1ccc(-[#6]-[#6]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#8]-[#6@H]-2-[#6]-[#6]-[#6]-[#6@H](-[#6]-[#6]-[#6]-2)-[#8]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#6]-[#6]-c2ccc(cc2)\[#7]=[#6](\[#7])-[#7])cc1

[#7]\[#6](-[#7])=[#7]/c1ccc(-[#6]-[#7]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#8]-[#6@@H]-2-[#6]-[#6]-[#6]-[#6@@H](-[#6]-[#6]-[#6]-2)-[#8]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#6]-[#6]-[#7]-c2ccncc2)cc1

NCCCCNC(=O)N1CCN(CC1)C(=O)O[C@H]1CCC[C@H](CCC1)OC(=O)N1CCN(CC1)C(=O)NCCCCN

[#7]\[#6](-[#7])=[#7]/c1ccc(-[#6]-[#7]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#8]-[#6@@H]-2-[#6]-[#6]-[#6]-[#6@@H](-[#6]-[#6]-[#6]-2)-[#8]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#6]-[#6]-c2ccc(-[#7])nc2)cc1

O=C(CCCC1CCNCC1)N1CCN(CC1)C(=O)O[C@H]1CCC[C@H](CCC1)OC(=O)N1CCN(CC1)C(=O)CCCC1CCNCC1

[#7]\[#6](-[#7])=[#7]/c1ccc(-[#6]-[#7]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#8]-[#6]-c2ccc(-[#6]-[#8]-[#6](=O)-[#7]-3-[#6]-[#6]-[#7](-[#6]-[#6]-3)-[#6](=O)-[#7]-[#6]-c3ccc(cc3)\[#7]=[#6](/[#7])-[#7])cc2)cc1

NCC12CCC(CNC(=O)N3CCN(CC3)C(=O)O[C@H]3CCC[C@H](CCC3)OC(=O)N3CCN(CC3)C(=O)NCC34CCC(CN)(CC3)CC4)(CC1)CC2

CNCc1ccc(CNC(=O)N2CCN(CC2)C(=O)O[C@H]2CCC[C@H](CCC2)OC(=O)N2CCN(CC2)C(=O)NCc2ccc(CNC)cc2)cc1

CC(=N)N1CCC(CNC(=O)N2CCN(CC2)C(=O)O[C@H]2CCC[C@H](CCC2)OC(=O)N2CCN(CC2)C(=O)NCC2CCN(CC2)C(C)=N)CC1

N[C@H]1CC[C@H](CNC(=O)N2CCN(CC2)C(=O)O[C@H]2CCC[C@H](CCC2)OC(=O)N2CCN(CC2)C(=O)NCc2ccc(cc2)N=C(N)N)CC1 |wU:22.27,18.18,4.4,wD:1.0,(30.03,-3.88,;28.7,-3.11,;28.68,-1.56,;27.35,-.8,;26.02,-1.57,;24.69,-.8,;23.36,-1.57,;22.03,-.79,;22.03,.75,;20.7,-1.56,;20.7,-3.09,;19.37,-3.86,;18.04,-3.09,;18.04,-1.55,;19.37,-.78,;16.69,-3.86,;16.69,-5.4,;15.36,-3.09,;13.95,-3.69,;13.95,-5.23,;12.86,-6.32,;11.32,-6.32,;10.23,-5.23,;10.23,-3.69,;11.32,-2.61,;12.86,-2.61,;8.8,-5.82,;7.47,-6.59,;7.47,-8.13,;6.14,-5.82,;4.81,-6.59,;3.48,-5.82,;3.48,-4.28,;4.79,-3.51,;6.14,-4.28,;2.13,-3.52,;2.13,-1.98,;.8,-4.29,;-.53,-3.53,;-1.86,-4.3,;-3.2,-3.53,;-4.53,-4.32,;-4.53,-5.86,;-3.2,-6.63,;-1.86,-5.86,;-5.87,-6.63,;-7.2,-5.86,;-7.2,-4.32,;-8.53,-6.63,;26.02,-3.11,;27.35,-3.88,)|

NCc1ccc(CNC(=O)N2CCN(CC2)C(=O)O[C@H]2CCC[C@H](CCC2)OC(=O)N2CCN(CC2)C(=O)NCc2ccc(CN)cc2)cc1

[#7]\[#6](-[#7])=[#7]/c1ccc(-[#6]-[#7]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#7]-[#6]-c2ccc(cc2)\[#7]=[#6](/[#7])-[#7])cc1

NC(=N)N1CCC(CNC(=O)N2CCN(CC2)C(=O)O[C@H]2CCC[C@H](CCC2)OC(=O)N2CCN(CC2)C(=O)NCC2CCN(CC2)C(N)=N)CC1

NC(=N)N1CCC(CC(=O)N2CCN(CC2)C(=O)O[C@H]2CCC[C@H](CCC2)OC(=O)N2CCN(CC2)C(=O)CC2CCN(CC2)C(N)=N)CC1

O=C(CCCCCn1ccnc1)N1CCN(CC1)C(=O)O[C@H]1CCC[C@H](CCC1)OC(=O)N1CCN(CC1)C(=O)CCCCCn1ccnc1

[#7]\[#6](-[#7])=[#7]/c1ccc(-[#6]-[#7]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#8]-[#6]C23[#6]-[#6]-4-[#6]-[#6](-[#6]2)-[#6]C([#6]-[#8]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#7]-[#6]-c2ccc(cc2)\[#7]=[#6](/[#7])-[#7])([#6]-4)[#6]3)cc1 |TLB:27:22:54:26.28.25,21:22:28:24.54.25,THB:23:22:28:24.54.25,23:24:28:22.55.27,27:26:22.55.23:54|

[#7]\[#6](-[#7])=[#7]/c1ccc(-[#6]-[#7]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#8]-[#6@@H]-2-[#6]-[#6]-[#6]-[#6@@H](-[#6]-[#6]-[#6]-2)-[#8]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#6]-[#6]-[#16]-c2ccncc2)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

N[C@H]1CC[C@@H](CNC(=O)N2CCN(CC2)C(=O)O[C@H]2CCC[C@H](CCC2)OC(=O)N2CCN(CC2)C(=O)NCc2ccc(cc2)N=C(N)N)CC1 |wU:22.27,1.0,18.18,4.4,(30.03,-3.88,;28.7,-3.11,;27.35,-3.88,;26.02,-3.11,;26.02,-1.57,;24.69,-.8,;23.36,-1.57,;22.03,-.79,;22.03,.75,;20.7,-1.56,;20.7,-3.09,;19.37,-3.86,;18.04,-3.09,;18.04,-1.55,;19.37,-.78,;16.69,-3.86,;16.69,-5.4,;15.36,-3.09,;13.95,-3.69,;13.95,-5.23,;12.86,-6.32,;11.32,-6.32,;10.23,-5.23,;10.23,-3.69,;11.32,-2.61,;12.86,-2.61,;8.8,-5.82,;7.47,-6.59,;7.47,-8.13,;6.14,-5.82,;4.81,-6.59,;3.48,-5.82,;3.48,-4.28,;4.79,-3.51,;6.14,-4.28,;2.13,-3.52,;2.13,-1.98,;.8,-4.29,;-.53,-3.53,;-1.86,-4.3,;-3.2,-3.53,;-4.53,-4.32,;-4.53,-5.86,;-3.2,-6.63,;-1.86,-5.86,;-5.87,-6.63,;-7.2,-5.86,;-7.2,-4.32,;-8.53,-6.63,;27.35,-.8,;28.68,-1.56,)|

[#7]\[#6](-[#7])=[#7]/c1ccc(-[#6]-[#7]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#7]-[#6]-c2ccc(cc2)\[#7]=[#6](/[#7])-[#7])cc1

NCCc1ccc(CC(=O)N2CCN(CC2)C(=O)O[C@H]2CCC[C@H](CCC2)OC(=O)N2CCN(CC2)C(=O)Cc2ccc(CCN)cc2)cc1

[#7]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#8]-[#6@H]-1-[#6]-[#6]-[#6]-[#6@H](-[#6]-[#6]-[#6]-1)-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#7]-[#6]-c1ccc(cc1)\[#7]=[#6](/[#7])-[#7]

[#7]\[#6](-[#7])=[#7]/c1ccc(-[#6]-[#7]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#8]-[#6@@H]-2-[#6]-[#6]-[#6]-[#6@@H](-[#6]-[#6]-[#6]-2)-[#8]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#7]-[#6]-c2ccc(-[#7])cc2)cc1

[#7]\[#6](-[#7])=[#7]/c1ccc(-[#6]-[#7]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#8]-[#6@@H]-2-[#6]-[#6]-[#6]-[#6@@H](-[#6]-[#6]-[#6]-2)-[#8]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-n2ccnc2)cc1

[#7]\[#6](-[#7])=[#7]/c1ccc(-[#6]-[#7]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#8]-[#6@@H]-2-[#6]-[#6]-[#6]-[#6@@H](-[#6]-[#6]-[#6]-2)-[#8]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#7]-[#6]-[#6]-c2ccncc2)cc1

[#7]\[#6](-[#7])=[#7]/c1ccc(-[#6]-[#7]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#7]-[#6]-c2ccc(cc2)\[#7]=[#6](/[#7])-[#7])cc1

NC(N)=Nc1ccc(CNC(=O)N2CCN(CC2)C(=O)OC[C@H]2CC[C@H](COC(=O)N3CCN(CC3)C(=O)NCc3ccc(cc3)N=C(N)N)CC2)cc1 |wU:25.26,wD:22.22,(-5.9,-4.38,;-5.9,-5.92,;-7.23,-6.69,;-4.57,-6.69,;-3.22,-5.92,;-1.89,-6.69,;-.55,-5.92,;-.55,-4.38,;.78,-3.6,;2.11,-4.35,;3.44,-3.58,;3.44,-2.04,;4.79,-4.35,;6.1,-3.57,;7.45,-4.34,;7.45,-5.89,;6.12,-6.66,;4.79,-5.89,;8.79,-6.66,;8.79,-8.18,;10.12,-5.89,;11.45,-6.66,;12.78,-5.89,;14.12,-6.66,;15.45,-5.89,;15.46,-4.34,;16.79,-3.57,;18.13,-4.34,;19.46,-5.12,;19.46,-6.66,;20.8,-4.34,;22.13,-5.12,;23.46,-4.35,;23.46,-2.81,;22.14,-2.03,;20.8,-2.8,;24.81,-2.04,;24.81,-.5,;26.14,-2.81,;27.48,-2.06,;28.81,-2.83,;28.81,-4.38,;30.14,-5.15,;31.47,-4.38,;31.47,-2.83,;30.14,-2.06,;32.82,-5.15,;34.15,-4.38,;34.15,-2.83,;35.49,-5.15,;14.12,-3.57,;12.78,-4.35,;-1.89,-3.6,;-3.22,-4.38,)|

[#7]\[#6](-[#7])=[#7]/c1ccc(-[#6]-[#7]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#8]-[#6@@H]-2-[#6]-[#6]-[#6]-[#6@@H](-[#6]-[#6]-[#6]-2)-[#8]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-2-[#6]-[#6]-[#7]-[#6]-[#6]-2)cc1

[#7]\[#6](-[#7])=[#7]/c1ccc(-[#6]-[#7]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#8]-[#6@H]-2-[#6]-[#6@H]-3-[#6]-[#6@H](-[#6]-[#6@H]-3-[#6]-2)-[#8]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#7]-[#6]-c2ccc(cc2)\[#7]=[#6](/[#7])-[#7])cc1

NC(=N)N1CCC(CCC(=O)N2CCN(CC2)C(=O)O[C@H]2CCC[C@H](CCC2)OC(=O)N2CCN(CC2)C(=O)CCC2CCN(CC2)C(N)=N)CC1

NC(=N)c1ccc(CCNC(=O)N2CCN(CC2)C(=O)O[C@H]2CCC[C@H](CCC2)OC(=O)N2CCN(CC2)C(=O)NCCc2ccc(cc2)C(N)=N)cc1

[#7]\[#6](-[#7])=[#7]/c1ccc(-[#6]-[#7]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#8]-[#6@@H]-2-[#6]-[#6]-[#6]-[#6@@H](-[#6]-[#6]-[#6]-2)-[#8]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#7]-[#6]-[#6]-2-[#6]-[#6]-[#7]-[#6]-[#6]-2)cc1

[#7]\[#6](-[#7])=[#7]/c1ccc(-[#6]-[#7]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#7]-[#6]-c2ccc(cc2)\[#7]=[#6](/[#7])-[#7])cc1

[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#8]-[#6@H]-1-[#6]-[#6]-[#6]-[#6@H](-[#6]-[#6]-[#6]-1)-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#7]-[#6]-c1ccc(cc1)\[#7]=[#6](/[#7])-[#7]

[#7]\[#6](-[#7])=[#7]/c1ccc(-[#6]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#8]-[#6@H]-2-[#6]-[#6]-[#6]-[#6@H](-[#6]-[#6]-[#6]-2)-[#8]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#6]-c2ccc(cc2)\[#7]=[#6](\[#7])-[#7])cc1

[#7]\[#6](-[#7])=[#7]/c1ccc(-[#6]-[#7]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#8]-[#6]-[#6@H]-2-[#6]-3-[#6]-[#6]-[#6](-[#6]=[#6]-3)-[#6@@H]-2-[#6]-[#8]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#7]-[#6]-c2ccc(cc2)\[#7]=[#6](/[#7])-[#7])cc1 |c:28,TLB:21:22:27.28:24.25,THB:30:29:27.28:24.25|

[#7]\[#6](-[#7])=[#7]/c1ccc(-[#6]-[#7]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#8]-[#6]C23[#6]-[#6]C([#6]-[#8]-[#6](=O)-[#7]-4-[#6]-[#6]-[#7](-[#6]-[#6]-4)-[#6](=O)-[#7]-[#6]-c4ccc(cc4)\[#7]=[#6](/[#7])-[#7])([#6]-[#6]2)[#6]-[#6]3)cc1

[#7]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#8]-[#6@H]-1-[#6]-[#6]-[#6]-[#6@H](-[#6]-[#6]-[#6]-1)-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#7]-[#6]-c1ccc(cc1)\[#7]=[#6](/[#7])-[#7]

[#7]\[#6](-[#7])=[#7]/c1ccc(-[#6]-[#7]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#8]-[#6@@H]-2-[#6]-[#6]-[#6]-[#6@@H](-[#6]-[#6]-[#6]-2)-[#8]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-2-[#6]-[#6]-[#7]-[#6]-[#6]-2)cc1

NC(=N)c1ccc(CC(=O)N2CCN(CC2)C(=O)O[C@H]2CCC[C@H](CCC2)OC(=O)N2CCN(CC2)C(=O)Cc2ccc(cc2)C(N)=N)cc1

[#7]\[#6](-[#7])=[#7]/c1ccc(-[#6]-[#7]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#8]-[#6@@H]-2-[#6]-[#6]-[#6]-[#6@@H](-[#6]-[#6]-[#6]-2)-[#8]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-n2ccnc2)cc1

NCCCCCCNC(=O)N1CCN(CC1)C(=O)O[C@H]1CCC[C@H](CCC1)OC(=O)N1CCN(CC1)C(=O)NCCCCCCN

NC(=N)N1CCC(CCNC(=O)N2CCN(CC2)C(=O)O[C@H]2CCC[C@H](CCC2)OC(=O)N2CCN(CC2)C(=O)NCCC2CCN(CC2)C(N)=N)CC1

NC(=N)c1ccc(CCC(=O)N2CCN(CC2)C(=O)O[C@H]2CCC[C@H](CCC2)OC(=O)N2CCN(CC2)C(=O)CCc2ccc(cc2)C(N)=N)cc1

O=C(NCCC1CCNCC1)N1CCN(CC1)C(=O)O[C@H]1CCC[C@H](CCC1)OC(=O)N1CCN(CC1)C(=O)NCCC1CCNCC1

[#6]-[#7](-[#6]-[#6]-[#6]-1-[#6]-[#6]-[#7]-[#6]-[#6]-1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#8]-[#6@@H]-1-[#6]-[#6]-[#6]-[#6@@H](-[#6]-[#6]-[#6]-1)-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#7]-[#6]-c1ccc(cc1)\[#7]=[#6](/[#7])-[#7]

CC(=N)N1CCC(CCNC(=O)N2CCN(CC2)C(=O)O[C@H]2CCC[C@H](CCC2)OC(=O)N2CCN(CC2)C(=O)NCCC2CCN(CC2)C(C)=N)CC1

[#7]\[#6](-[#7])=[#7]/c1ccc(-[#6]-[#7]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#7]-[#6]-c2ccc(cc2)\[#7]=[#6](/[#7])-[#7])cc1

[#7]\[#6](-[#7])=[#7]/c1ccc(-[#6]-[#7]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#8]-[#6@@H]-2-[#6]-[#6]-[#6]-[#6@@H](-[#6]-[#6]-[#6]-2)-[#8]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-2-[#6]-[#6]-[#7]-[#6]-[#6]-2)cc1

NCCCCCNC(=O)N1CCN(CC1)C(=O)O[C@H]1CCC[C@H](CCC1)OC(=O)N1CCN(CC1)C(=O)NCCCCCN

NCCc1ccc(CCNC(=O)N2CCN(CC2)C(=O)O[C@H]2CCC[C@H](CCC2)OC(=O)N2CCN(CC2)C(=O)NCCc2ccc(CCN)cc2)cc1

CC1CCCC(C)N1CCCCCN1C(=O)C(Oc2ccccc12)c1cccc(CN)c1

CCCCCCN(CCCCCC)CCCCCN1C(=O)C(Oc2ccccc12)c1cccc(c1)C(N)=N

CC1CCCC(C)N1CCCCCCN1C(=O)C(Oc2ccccc12)c1cccc(c1)C(N)=N

CC1CCCC(C)N1CCCCN1C(=O)C(Oc2ccccc12)c1cccc(c1)C(N)=N

CC1CCCC(C)N1CCCCCN1C(=O)C(Oc2ccccc12)c1cccc(c1)C(N)=N

NC(=N)c1cccc(c1)C1Oc2ccccc2N(CCCCCN2CCCCC2)C1=O

COc1ccccc1C(=O)N[C@@]1(OC)[C@H]2OCC(CSc3nncn3CC(O)=O)=C(N2C1=O)C(=O)OCc1cccc(C)c1 |c:30|

CCOc1ccccc1C(=O)N[C@@]1(OC)[C@H]2OCC(CSc3nnnn3C)=C(N2C1=O)C(=O)OCc1ccc(cc1)C(O)=O |c:28|

[O-]c1c([CH+]c2cc3OCOc3cc2[N+]([O-])=O)sc(=S)n1CC=C

COC(=O)Cn1c([O-])c([CH+]c2cc3OCOc3cc2[N+]([O-])=O)sc1=S

CCOC(=O)Cn1c(O)c(sc1=S)C(=C)c1cccc(NS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)S(=O)(=O)NCCNC(=O)OC(C)(C)C)c1

OC(=O)Cn1c([O-])c([CH+]c2cc(ccc2F)[N+]([O-])=O)sc1=S

OC(=O)Cn1c(O)c(sc1=S)C(=C)c1ccc(cc1)-c1ccccc1

CCOC(=O)Cn1c(O)c(sc1=S)C(=C)c1cccc(OC(=O)N[C@@H](CC(C)C)C(=O)N(CCN(Cc2ccc(cc2)C(=O)OC)Cc2ccc(cc2)C(=O)OC)Cc2ccc(Cl)cc2)c1

B1([C@@H]2C[C@@H]2c3ccc(c(c3O1)C(=O)O)F)O

COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CCC(=CC3=O)c3c(F)ccc(Cl)c3F)c3cc-2ccn3)c1 |r,c:22|

NCc1cccc(c1)-c1cccc(COc2ccccc2CC(O)=O)c1

CC(C)c1cc(COc2ccccc2CC(O)=O)cc(c1)-c1ccc2OC[C@@H](N)c2c1 |r|

CC1(C)COc2c1cc(cc2COc1ccccc1CC(O)=O)-c1ccc2OC[C@@H](N)c2c1 |r|

CC1(C)COc2c1cc(cc2COc1ccccc1CC(O)=O)-c1ccc2OCC[C@@H](N)c2c1 |r|

CC(C)c1cc(cc(c1)-c1ccc2OC[C@@H](N)c2c1)[C@@H]1CNc2cccc(CC(O)=O)c2O1 |r|

CC(C)c1cc(CCOc2ccccc2C(O)=O)cc(c1)-c1ccc2OC[C@@H](N)c2c1 |r|

COc1cccc(C(O)=O)c1OCCc1cc(cc(c1)-c1ccc2OC[C@@H](N)c2c1)C(C)C |r|

CC(C)c1cc(CCN2CCc3cccc(C(O)=O)c23)cc(c1)-c1ccc2OC[C@@H](N)c2c1 |r|

CC(C)c1cc(CCOc2c(C)cccc2C(O)=O)cc(c1)-c1ccc2OC[C@@H](N)c2c1 |r|

CC(C)c1cc(CCOc2c(Cl)cccc2C(O)=O)cc(c1)-c1ccc2OC[C@@H](N)c2c1 |r|

CC(C)c1cc(cc(c1)-c1ccc2OC[C@@H](N)c2c1)[C@H](O)Cn1ccc2cccc(C(O)=O)c12 |r|

COc1cccc(C(O)=O)c1OCC(O)c1cc(cc(c1)-c1ccc2OC[C@@H](N)c2c1)C(C)C |r|

CC(C)c1cc(cc(c1)-c1ccc2OC[C@@H](N)c2c1)C(O)CN1CCc2cccc(C(O)=O)c12 |r|

CC(C)c1cc(cc(c1)-c1ccc2OC[C@@H](N)c2c1)C(O)Cn1ccc2cccc(C(O)=O)c12 |r|

COc1cccc(c1)-c1csc(n1)-c1cc(sc1SC)C(N)=N

CSc1sc(cc1-c1nc(cs1)-c1cccc(O)c1)C(N)=N

CSc1sc(cc1-c1nc(cs1)-c1ccc2OCOc2c1)C(N)=N

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

NC(=N)N1CCC(CCNC(=O)CNC(=O)OCc2ccc(COC(=O)NCC(=O)NCCC3CCN(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(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)CCCC1CCNCC1

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)CCCC2CCNCC2)cc1

NC(=N)c1ccc(NC(=O)CC2CCN(CC2)C(=O)O[C@H]2CCC[C@H](CCC2)OC(=O)N2CCN(CC2)C(=O)NCCC2CCNCC2)cc1

NCC1CCN(CC1)C(=O)NCCCCNC(=O)OCc1ccc(COC(=O)NCCCCNC(=O)N2CCC(CN)CC2)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(cc1)C(=O)NCC1CCN(CC1)C(=O)O[C@H]1CCC[C@H](CCC1)OC(=O)N1CCN(CC1)C(=O)NCCC1CCNCC1

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(cc1)C(=O)NCC1CCN(CC1)C(=O)OCc1ccc(COC(=O)N2CCC(CNC(=O)c3ccc(cc3)C(N)=N)CC2)cc1

CCN1C(=O)N(CC)C1=O

O=C1N(Cc2ccccc2)C(=O)N1Cc1ccccc1

CC(C)(C(O)=O)c1cc(Br)c(O)c(c1)-c1[nH]c2ccc(cc2c1Cc1ccccc1)C(N)=N

Cc1cc(Br)c(O)c(c1)-c1cc2cc(ccc2[nH]1)C(N)=N

Cc1cc(Br)c(O)c(c1)-c1[nH]c2ccc(cc2c1CCCc1ccccc1)C(N)=N

Cc1cc(Cl)c(O)c(c1)-c1cc2cc(ccc2[nH]1)C(N)=N

NC(=N)c1ccc2[nH]c(c(Cc3ccccc3)c2c1)-c1cc(CCCC(O)=O)cc(Br)c1O

NC(=N)c1ccc2[nH]c(c(Cc3ccccc3)c2c1)-c1cc(CCC(O)=O)cc(Br)c1O

Cc1cc(C)c(O)c(c1)-c1cc2cc(ccc2[nH]1)C(N)=N

NC(=N)c1ccc2[nH]c(c(Cc3ccccc3)c2c1)-c1cc(CCOP(O)(O)=O)cc(Br)c1O

Cc1cc(-c2cc3cc(ccc3[nH]2)C(N)=N)c(O)c(c1)-c1ccccc1

Cc1ccc(O)c(c1)-c1cc2cc(ccc2[nH]1)C(N)=N

Cc1cc(Br)c(O)c(c1)-c1[nH]c2ccc(cc2c1Cc1ccccc1)C(N)=N

NC(=N)c1ccc2[nH]c(c(Cc3ccccc3)c2c1)-c1cc(cc(Br)c1O)-c1nnn[nH]1

NC(=N)c1ccc2[nH]c(c(Cc3ccccc3)c2c1)-c1cc(CC(O)=O)cc(Br)c1O

NC(=N)c1ccc2[nH]c(c(Cc3ccccc3)c2c1)-c1cc(cc(Br)c1O)C(O)=O

Cc1cc(Br)c(O)c(c1)-c1[nH]c2ccc(cc2c1CCc1ccccc1)C(N)=N

NC(=N)c1ccc2[nH]c(c(Cc3ccccc3)c2c1)-c1cc(Cc2nnn[nH]2)cc(Br)c1O

NC(=N)c1ccc2[nH]c(cc2c1)-c1ccccc1O

Cn1c(nc2ccc(cc12)C(N)=N)-c1cccc(-c2ccccc2)c1O

NC(=N)c1ccc2[nH]c(cc2c1)-c1cc(Cl)cc(-c2ccccc2)c1O

NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(Br)c1O

NC(=N)c1ccc2[nH]c(cc2c1)-c1cc(Br)cc(-c2ccccc2)c1O

NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(-c2ccccc2)c1O

NC(=N)c1ccc2[nH]c(cc2c1)-c1cc(cc(c1O)-c1ccccc1)[N+]([O-])=O

NC(=N)c1ccc2nc([nH]c2c1)-c1c(O)cccc1O

NC(=N)c1ccc2nc([nH]c2c1)-c1cc(Br)ccc1O

Cc1ccc(-c2nc3ccc(cc3[nH]2)C(N)=N)c(O)c1

CCN(CC)c1ccc(-c2nc3ccc(cc3[nH]2)C(N)=N)c(O)c1

Cc1cc(Br)c(O)c(c1)-c1nc2ccc(cc2[nH]1)C(N)=N

NC(=N)c1ccc2nc([nH]c2c1)-c1cc(ccc1O)[N+]([O-])=O

COc1cccc(-c2nc3ccc(cc3[nH]2)C(N)=N)c1O

NC(=N)c1ccc2[nH]c(cc2c1)-c1cc(cc(Br)c1O)[N+]([O-])=O

NC(=N)c1ccc2nc([nH]c2c1)-c1ccc2ccccc2c1O

NC(=N)c1ccc2[nH]c(cc2c1)-c1cc(Br)cc(Br)c1O

NC(=N)c1ccc2nc([nH]c2c1)-c1cccc(F)c1O

NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(c1)-c1ccccc1

COc1ccc(O)c(c1)-c1nc2ccc(cc2[nH]1)C(N)=N

NC(=N)c1ccc2nc([nH]c2c1)-c1cc(F)ccc1O

NC(=N)c1ccc2nc([nH]c2c1)-c1ccccc1O

NC(=N)c1ccc2nc([nH]c2c1)-c1ccccc1

COc1c(cccc1-c1ccccc1)-c1cc2cc(ccc2[nH]1)C(N)=N

Cc1cccc(-c2nc3ccc(cc3[nH]2)C(N)=N)c1O

NC(=N)c1ccc2nc([nH]c2c1)-c1cccc(c1O)[N+]([O-])=O

NC(=N)c1ccc2nc([nH]c2c1)-c1cccc(Br)c1O

NC(=N)c1ccc2oc(cc2c1)-c1cccc(-c2ccccc2)c1O

Cc1ccc(O)c(c1)-c1nc2ccc(cc2[nH]1)C(N)=N

NC(=N)c1ccc2nc([nH]c2c1)-c1cc(Cl)cc(-c2ccccc2)c1O

NC(=N)c1ccc2nc([nH]c2c1)-c1cc(Cl)cc(-c2cccc(N)c2)c1O

NC(=N)c1cccc(c1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O

NC(=N)c1cccc(c1)C(=O)N[C@@H](C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O)c1ccccc1

Nc1nc(nn1C(=O)Cc1ccccc1I)-c1ccccn1

Nc1nc(nn1C(=O)c1ccc2ccccc2c1)-c1ccccn1

Nc1nc(nn1C(=O)c1cccc2ccccc12)-c1ccccn1

Cc1ccc(cc1C)C(=O)n1nc(nc1N)-c1ccccn1

O=C(Nc1nc(n[nH]1)-c1ccccn1)c1ccccc1

[#7]\[#6](-[#7])=[#7]\c1ccncc1

[#6]-c1ccc(\[#7]=[#6](\[#7])-[#7])nc1

[#6]-c1c(Cl)cnc(\[#7]=[#6](\[#7])-[#7])c1Cl

[#7]\[#6](-[#7])=[#7]\c1ccc(Cl)cc1

[#6]-[#8]-c1cccnc1\[#7]=[#6](\[#7])-[#7]

[#7]\[#6](-[#7])=[#7]\c1ncc(Cl)cc1-[#6]=[#6]-[#6](-[#8])=O |w:12.13|

[#6]-[#8]-c1ccc(-[#6]=[#6]-c2cc(Cl)cnc2\[#7]=[#6](\[#7])-[#7])cc1 |w:6.5|

[#7]\[#6](-[#7])=[#7]\c1ncc(Cl)cc1C#Cc1ccccc1

NC(=N)c1ccc(CNC(=O)CNC(=O)[C@@H](CO)NC(=O)OCc2ccccc2)cc1

NC(=N)c1ccc(CNC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)cc1

OC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)NCC(=O)NCc1ccc(cc1)C(=N)NO

COC(=O)OC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)NCC(=O)NCc1ccc(cc1)C(N)=N

CC(=O)N[C@H](CO)C(=O)NCC(=O)NCc1ccc(cc1)C(N)=N

CC(C)(C)OC(=O)NC(CCC(O)=O)C(=O)NCC(=O)NCc1ccc(cc1)C(N)=N

NC(=N)c1ccc(CNC(=O)CNC(=O)[C@@H](CO)NS(=O)(=O)CCc2ccccc2)cc1

N[C@@H](CCC(O)=O)C(=O)NCC(=O)NCc1ccc(cc1)C(N)=N |r|

NC(=N)c1ccc(CNC(=O)CNC(=O)[C@@H](CO)NS(=O)(=O)CC2CCCCC2)cc1

NC(=N)c1ccc(CNC(=O)[C@H]2CCCN2C(=O)[C@@H](CO)NS(=O)(=O)Cc2ccccc2)cc1

CC(C)COC(=O)OC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)NCC(=O)NCc1ccc(cc1)C(N)=N

N[C@H](CO)C(=O)NCC(=O)NCc1ccc(cc1)C(N)=N

CC(C)(C)OC(=O)N[C@@H](CO)C(=O)NCC(=O)NCc1ccc(cc1)C(N)=N

NC(=N)c1ccc(CNC(=O)CNC(=O)[C@@H](CO)NS(=O)(=O)\C=C\c2ccccc2)cc1

N[C@@H](CO)C(=O)NCC(=O)NCc1ccc(cc1)C(N)=N

CC(C)COC(=O)OC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)N[C@@H](C)C(=O)NCc1ccc(cc1)C(N)=N

CC(C)(C)OC(=O)N[C@H](CO)C(=O)NCC(=O)NCc1ccc(cc1)C(N)=N

C[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)Cc1ccccc1)C(=O)NCc1ccc(cc1)C(N)=N

NC(=N)c1ccc(CNC(=O)CNC(=O)[C@@H](CO)NS(=O)(=O)c2ccc3ccccc3c2)cc1

CC(C)c1cc(cc(C(C)C)c1C(C)C)S(=O)(=O)N[C@H](CO)C(=O)NCC(=O)NCc1ccc(cc1)C(N)=N

Nc1ncnc2cc(CN3CCN(Cc4cc5cc(Cl)ccc5[nH]4)CC3=O)ccc12

Nc1ncnc2cc(CN3CCN(Cc4nc5ccc(Cl)cc5[nH]4)CC3=O)ccc12

Nc1ncnc2cc(CN3CCN(CC3=O)S(=O)(=O)c3nc4ccc(Cl)cc4[nH]3)ccc12

[H]/N=C(c1ccc(cc1)NCc2nc3cc(ccc3n2C)C(=O)N(CCC(=O)O)c4ccccn4)/N

CC(C)(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)Cc1ccc(CNC(N)=N)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCc1ccc(cc1)C(N)=N |r|

CC(C)(C)[C@H](NC(=O)[C@H](CCONC(N)=N)NC(=O)Cc1ccc(CNC(N)=N)cc1)C(=O)N[C@@H](CCONC(N)=N)C(=O)NCc1ccc(cc1)C(N)=N |r|

CN([C@@H](CC(O)=O)C(=O)N1CCCC[C@H]1CCOC1CCN(CC1)C(N)=N)C1CCCCC1

Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccc2cc(Br)ccc2c1

Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccc2cc(O)ccc2c1

CN(C)C(=N)c1cc2ccccc2cc1-n1nc(C)cc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O

Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1C(N)=N

COc1ccc2cc(ccc2c1)-n1nc(C)cc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O

Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1S(C)(=O)=O

Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1C1=NCCN1 |t:40|

Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1C#N

COC(=O)c1cc2ccccc2cc1-n1nc(C)cc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O

Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccc2ccccc2c1

Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1S(N)(=O)=O

Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1CO

Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1C(O)=O

Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1C(N)=O

Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1O

Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1Br

Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccc2cc(Cl)ccc2c1

Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1CN

Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1F

NC(=N)c1cccc(OCCNC(=O)c2ccc(cc2)-c2ccccc2S(N)(=O)=O)c1

NC(=N)c1cccc(Oc2ccccc2NC(=O)c2ccc(cc2)-c2ccccc2S(N)(=O)=O)c1

CCOc1cccc(-c2cc3cc(ccc3[nH]2)C(N)=N)c1O

NC(=N)c1ccc2nc([nH]c2c1)-c1cccc(OC2CCCC2)c1O

NC(=N)c1cc2[nH]c(nc2cc1F)-c1cccc(OC[C@H]2CCCN2)c1O

CCOc1cccc(-c2nc3cc(Cl)c(cc3[nH]2)C(N)=N)c1O

NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(OC2CCCC2)c1O

C[C@H]1CCC[C@@H](C1)Oc1cccc(-c2nc3cc(F)c(cc3[nH]2)C(N)=N)c1O

CC(C)COc1cccc(-c2nc3cc(Cl)c(cc3[nH]2)C(N)=N)c1O

NC(=N)c1cc2[nH]c(nc2cc1Cl)-c1cccc(OC2CCCC2)c1O

C[C@@H]1CCCC[C@@H]1Oc1cccc(-c2nc3cc(F)c(cc3[nH]2)C(N)=N)c1O

CC(C)COc1cccc(-c2nc3ccc(cc3[nH]2)C(N)=N)c1O

C[C@H]1CC(C)(C)C[C@@H]1Oc1cccc(-c2nc3cc(F)c(cc3[nH]2)C(N)=N)c1O

CCOc1cccc(-c2nc3ccc(cc3[nH]2)C(N)=N)c1O

C[C@H]1CCCC[C@@H]1Oc1cccc(-c2nc3cc(F)c(cc3[nH]2)C(N)=N)c1O

NC(=N)c1ccc2nc([nH]c2c1)-c1cccc(Oc2ccccc2)c1O

NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(Oc2ccccc2)c1O

CC(C)COc1cccc(-c2nc3cc(F)c(cc3[nH]2)C(N)=N)c1O

C[C@H]1CC[C@H](CC1)Oc1cccc(-c2nc3cc(F)c(cc3[nH]2)C(N)=N)c1O |wD:4.7,1.0,(9.17,-1.34,;7.63,-1.36,;6.84,-.03,;5.3,-.05,;4.56,-1.4,;5.34,-2.73,;6.87,-2.71,;3.02,-1.43,;2.22,-.1,;2.97,1.25,;2.17,2.57,;.63,2.54,;-.11,1.19,;-1.65,1.17,;-2.54,-.09,;-4.01,.37,;-5.32,-.44,;-6.66,.32,;-7.99,-.47,;-6.69,1.86,;-5.37,2.64,;-4.03,1.91,;-2.58,2.4,;-8.04,2.61,;-9.37,1.81,;-8.06,4.14,;.68,-.12,;-.07,-1.48,)|

CCOc1cccc(-c2nc3cc(F)c(cc3[nH]2)C(N)=N)c1O

NC(=N)c1cc2[nH]c(nc2cc1F)-c1cccc(OC2CCCC2)c1O

C[C@H]1CCC[C@@H]1Oc1cccc(-c2nc3cc(F)c(cc3[nH]2)C(N)=N)c1O

NC(=N)c1cc2[nH]c(nc2cc1F)-c1cccc(OCC2CCCO2)c1O

CC(C)COc1cccc(-c2cc3cc(ccc3[nH]2)C(N)=N)c1O

NC(=N)c1cc2[nH]c(nc2cc1F)-c1cccc(OC2CCNC2)c1O

NC(=N)c1cc2[nH]c(nc2cc1F)-c1cccc(OCC2CCCNC2)c1O

NC(N)=Nc1ccc(NC(=O)c2ccccc2O)cc1

NC(N)=Nc1ccc(NC(=O)c2cc3cc4ccccc4cc3cc2O)cn1

Cc1cc(Br)c(O)c(c1)C(=O)Nc1ccc(cc1)N=C(N)N

NC(N)=Nc1ccc(NC(=O)c2cc3cc4ccccc4cc3c(I)c2O)cn1

NC(N)=Nc1ccc(NC(=O)c2cc3cc4ccccc4cc3cc2O)cc1

Cc1ccc(O)c(c1)C(=O)Nc1ccc(cc1)N=C(N)N

NC(=N)c1ccc(NC(=O)c2ccc(Cl)cc2O)cc1

CC(C)Oc1c(O)c(cc2cc3ccccc3cc12)C(=O)Nc1ccc(N=C(N)N)nc1

NC(N)=Nc1ccc(NC(=O)c2cc3cc4ccccc4cc3c(Br)c2O)cn1

NC(N)=Nc1ccc(NC(=O)c2cc3cc4ccccc4cc3c(I)c2O)cc1

CC(C)Oc1c(O)c(cc2cc3ccccc3cc12)C(=O)Nc1ccc(cc1)N=C(N)N

COc1c(O)c(cc2cc3ccccc3cc12)C(=O)Nc1ccc(N=C(N)N)nc1

NC(=N)c1ccc(NC(=O)c2cc3cc4ccccc4cc3cc2O)cc1

COc1c(O)c(cc2cc3ccccc3cc12)C(=O)Nc1ccc(cc1)N=C(N)N

Cc1cccc(C(=O)Nc2ccc(cc2)C(N)=N)c1O

Cc1ccc(C(=O)Nc2ccc(cc2)C(N)=N)c(O)c1

CCOc1ccc(C(=O)Nc2ccc(cc2)N=C(N)N)c(O)c1

NC(N)=Nc1ccc(NC(=O)c2cc3cc4ccccc4cc3c(Br)c2O)cc1

Cc1cc(I)c(O)c(c1)C(=O)Nc1ccc(cc1)N=C(N)N

CC(O)C(N(C)C(=O)C(Cc1ccc(cc1)[N+]([O-])=O)NC(=O)CCC[N-]C(N)=[NH2+])C(=O)NC(C)c1ccccc1

NC(=N)NCCC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)NCC(=O)N[C@H](CCCNC(N)=N)C(=O)c1nccs1

NC(=N)NCCC[C@@H](NC(=O)CN1CCN(CC1=O)S(=O)(=O)c1ccc(Cl)cc1)C(=O)c1nccs1

NC(=N)NCCCC(NC(=O)CN1CCN(CC1=O)S(=O)(=O)c1cccc2cccnc12)C(=O)c1nccs1

NC(=N)NCCCC(NC(=O)CN1CCN(CC1=O)S(=O)(=O)c1ccc2c(Cl)cccc2c1)C(=O)c1nccs1

NC(=N)NCCCC(NC(=O)CN1CCN(CC1=O)S(=O)(=O)c1ccc2ccccc2c1)C(=O)c1nccs1

NC(=N)NCCC[C@@H](NC(=O)CN1CCN(CC1=O)S(=O)(=O)Cc1ccccc1)C(=O)c1nccs1

Cc1c(sc2ccc(Cl)cc12)S(=O)(=O)N1CCN(CC(=O)NC(CCCNC(N)=N)C(=O)c2nccs2)C(=O)C1

Cc1cc(OCCCONC(N)=N)cc(OS(=O)(=O)c2ccccc2S(C)(=O)=O)c1

Cc1ccccc1-c1ccc2c(C)cc(Nc3ccc(cc3)C(N)=N)nc2c1

Cc1ccccc1-c1ccc2c(C)cc(Oc3ccc(cc3)C(N)=N)nc2c1

C\C(=C/C(O)=O)c1ccc2c(C)cc(Oc3ccc(cc3)C(N)=N)nc2c1

Cc1ccc(cc1)-c1ccc2c(C)cc(Oc3ccc(cc3)C(N)=N)nc2c1

CCOC(=O)C(C)(C)c1ccc2c(C)cc(Oc3ccc(cc3)C(N)=N)nc2c1

CCOC(=O)C1(CCCC1)c1ccc2c(C)cc(Oc3ccc(cc3)C(N)=N)nc2c1

CCOC(=O)\C=C(/C)c1ccc2c(C)cc(Oc3ccc(cc3)C(N)=N)nc2c1

Cn1c2ccc(cc2nc(Cc2ccc(cc2)C(N)=N)c1=O)C(C)(C)C(=O)N1CCCCC1

CN(C)C(=O)C(C)(C)c1ccc2n(C)c(=O)c(Cc3ccc(cc3)C(N)=N)nc2c1

CCOC(=O)C(C)(C)c1ccc2n(C)c(=O)c(Cc3ccc(cc3)C(N)=N)nc2c1

Cn1c2ccc(cc2nc(Cc2ccc(cc2)C(N)=N)c1=O)C1(CC1)C(=O)N1CCCC1CO

Cn1c2ccc(cc2nc(Cc2ccc(cc2)C(N)=N)c1=O)C1(CC1)C(=O)N1CCCC1

CCOC(=O)C1(CC1)c1ccc2n(C)c(=O)c(Cc3ccc(cc3)C(N)=N)nc2c1

Cn1c2ccc(cc2nc(Cc2ccc(cc2)C(N)=N)c1=O)C1(CC1)N(C1CCCC1)C(=O)CC(O)=O

Cn1c2ccc(cc2nc(Cc2ccc(cc2)C(N)=N)c1=O)C(C)(C)C(=O)N1CCCC1

Cn1c2ccc(cc2nc(Cc2ccc(cc2)C(N)=N)c1=O)C1(CC1)C(=O)N1CCCC1C(=O)NCC(O)=O

NCc1ccc(Cl)c(NC(=O)CN2CCCCC(NC(=O)c3ccc(cc3)-c3ccccc3)C2=O)c1

NCc1cccc(NC(=O)CN2CCCCC(NC(=O)CC(c3ccccc3)c3ccccc3)C2=O)c1

NCc1cccc(NC(=O)CN2CCCCC(NC(=O)c3ccc(cc3)-c3ccccc3)C2=O)c1

Cc1ccc(CN)cc1NC(=O)CN1CCCCC(NC(=O)c2ccc(cc2)-c2ccccc2)C1=O

[H]/N=C(c1ccc2ccccc2c1)/N

[H]/N=C(/c1ccc2cc(ccc2c1)C(=O)Nc3ccccc3)N

CCc1ccc(NC(=O)c2ccc3cc(ccc3c2)C(N)=N)cc1

CC(C)[C@H]1c2cc(ccc2CCN1)NC(=O)c3ccc4cc(ccc4c3)C(=N)N

CC(C)C1=NCCc2c1cc(cc2)NC(=O)c3ccc4cc(ccc4c3)C(=N)N

O=C(Nc1ccc2cc(ccc2c1)C#N)c1ccccc1

CC(C)Oc1cc(NC(=O)c2ccc3cc(ccc3c2)C(N)=N)cc(OC2CCCC2)c1

NC(=N)c1ccc2cc(ccc2c1)C(=O)Nc1ccc2CCNC(C3CCCC3)c2c1

[H]/N=C(/c1ccc2cc(ccc2c1)C(=O)Nc3cccc(c3)OC4CCCC4)N

NC(=N)c1ccc2cc(ccc2c1)C(=O)Nc1ccc2CNCCc2c1

CC(C)CC1NCCc2ccc(NC(=O)c3ccc4cc(ccc4c3)C(N)=N)cc12

NC(=N)c1ccc2cc(ccc2c1)C(=O)Nc1ccc2CCN=C(C3CCCC3)c2c1 |t:24|

CC(C)Oc1cccc(NC(=O)c2ccc3cc(ccc3c2)C(N)=N)c1

NC(=N)c1ccc2cc(ccc2c1)C(=O)Nc1ccc(CO)cc1

CC(C)Oc1cc(NC(=O)c2ccc3cc(ccc3c2)C(N)=N)cc(OC(C)C)c1

[H]/N=C(/c1ccc2cc(ccc2c1)C(=O)Nc3ccc(cc3)CN)N

CC[C@H]1CNCc2c1cc(cc2)NC(=O)c3ccc4cc(ccc4c3)C(=N)N

NC(=N)c1ccc2cc(ccc2c1)C(=O)Nc1ccc(cc1)C(N)=O

CC(C)(C)c1ccc(O)c(c1)C(=O)Nc1ccc(CN)cc1

Cc1ccc(C(=O)Nc2ccc(CN)cc2)c(O)c1

CC(C)c1ccc(C(=O)Nc2ccc(CN)cc2)c(O)c1

NCc1ccc(NC(=O)c2ccc3ccccc3c2O)cc1

NCc1ccc(NC(=O)c2cc3ccccc3cc2O)cc1

COc1ccc2c(O)c(ccc2c1)C(=O)Nc1ccc(CN)cc1

Cc1ccc2ccc(C(=O)Nc3ccc(CN)cc3)c(O)c2c1

Cc1cc(C(=O)Nc2ccc(cc2F)N2CCOCC2=O)n(n1)-c1cc2ccccc2cc1S(C)(=O)=O

CN(C)Cc1ccccc1-c1ccc(NC(=O)c2cc(C)nn2-c2cc3ccccc3cc2S(C)(=O)=O)c(F)c1

Cc1cc(C(=O)Nc2ccc(cc2F)-c2ccccc2CN)n(n1)-c1cc2ccccc2cc1F

CN(C)Cc1ccccc1-c1ccc(NC(=O)c2cc(C)nn2-c2ccc3cc(Cl)ccc3c2)c(F)c1

Cc1cc(C(=O)Nc2ccc(cc2F)-c2ccccc2S(C)(=O)=O)n(n1)-c1cc2ccccc2cc1S(C)(=O)=O

CN(C)C(=N)c1ccc(NC(=O)c2cc(C)nn2-c2cc3ccccc3cc2F)c(F)c1

CN(C)C(=N)c1ccc(NC(=O)c2cc(nn2-c2cc3ccccc3cc2F)C(F)(F)F)c(F)c1

CN(C)C(=N)c1ccc(NC(=O)c2cc(C)nn2-c2ccc3cc(Cl)ccc3c2)c(F)c1

CN1CCN=C1c1ccc(NC(=O)c2cc(C)nn2-c2cc3ccccc3cc2F)c(F)c1 |c:4|

NS(=O)(=O)c1ccccc1-c1ccc(cc1)C(=O)Nc1ccccc1C(=O)Nc1ccc(Br)cn1

CN(Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)C1=NCCO1 |t:32|

Clc1ccc(NC(=O)c2cc(Cl)ccc2NC(=O)c2ccc(CN3CCNC3=S)cc2)nc1

NNCc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1

CN(C)C1=NCCN1Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1 |t:3|

Clc1ccc(NC(=O)c2cc(Cl)ccc2NC(=O)c2ccc(CN3CCNC3=O)cc2)nc1

Clc1ccc(NC(=O)c2cc(Cl)ccc2NC(=O)c2ccc(CN3CCCCC3)cc2)nc1

Clc1ccc(NC(=O)c2cc(Cl)ccc2NC(=O)c2ccc(CN3CCCC3)cc2)nc1

CN(Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)C1=NCCS1 |t:32|

C[N+]1(Cc2ccc(cc2)C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)CCCC1

NC1=NCCN1Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1 |t:1|

OC1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)CC1

CN(Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)C1=NCCN1 |t:32|

CN(CC(O)=O)Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1

NCc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1

CN(CCO)Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1

CNCc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1

CN(Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)C(N)=N

CN(Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)C(C)=N

CC(=N)N1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)CC1

CNCCN(C)Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1

C[N+](C)(C)Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1

CN(Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)C1=NCCN1C |t:32|

NC(=N)NCc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1

CN(C)CCN(C)Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1

CN(C)NCc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1

OC(=O)C1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)CC1

CN\C(=N\C)N(C)Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1

CN(CCN(C)C(N)=N)Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1

CC(=N)NCc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1

NC(=O)C1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)CC1

COCCN(C)Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1

CNC1=NCCN1Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1 |t:2|

CCN(C)Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1

CNC(=N)N(C)Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1

Clc1ccc(NC(=O)c2cc(Cl)ccc2NC(=O)c2ccc(C[n+]3ccccc3)cc2)nc1

CN(C)Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1

CC(=O)NNCc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1

NC1=NCCCN1Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1 |t:1|

Clc1ccc(NC(=O)c2cc(Cl)ccc2NC(=O)c2ccc(CN3CCOC3=N)cc2)nc1

NC1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)CC1

NC1=NCCCCN1Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1 |t:1|

CCN(CC)Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1

CCOC(=O)CN(C)Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1

CN(Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)C(=N)c1ccccc1

Clc1ccc(NC(=O)c2cc(Cl)ccc2NC(=O)c2ccc(CN3CCCC3=O)cc2)nc1

CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)CC1

CN(CCN(C)C(C)=N)Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1

Clc1ccc(NC(=O)c2cc(Cl)ccc2NC(=O)c2ccc(CN3CCOCC3)cc2)nc1

Clc1ccc(NC(=O)c2cc(Cl)ccc2NC(=O)c2ccc(CN3CCNCC3)cc2)nc1

CCOC(=O)C1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)CC1

CN1CCN=C1c1ccc(cc1)C(=O)N1CCN(CC1)S(=O)(=O)c1cc2cc(Cl)ccc2[nH]1 |c:4|

OC(=O)[C@@H]1[C@@H](CCC2CCCNC2)C(=O)N1C(=O)N1CCN(CC1)C(=O)CCCCCc1ccccc1

CC(C)C(OC(=O)N1CCN(CC1)C(=O)N1[C@@H]([C@@H](CC2CCNCC2)C1=O)C(O)=O)C(C)C

C[C@H](NC(=O)[C@@H](CO)NC(=O)OCc1ccccc1)C(=O)N[C@H](C1CC[C@H](CNC(N)=N)CC1)P(=O)(Oc1ccccc1)Oc1ccccc1 |wU:22.22,wD:5.7,26.27,1.0,(6.98,-8.15,;6.98,-6.61,;5.65,-5.84,;4.32,-6.61,;4.32,-8.15,;2.99,-5.84,;2.99,-4.3,;4.32,-3.53,;1.66,-6.61,;.31,-5.84,;.31,-4.3,;-1.02,-6.61,;-2.35,-5.84,;-3.68,-6.61,;-5.02,-5.84,;-6.35,-6.61,;-6.35,-8.15,;-5.01,-8.92,;-3.68,-8.14,;8.31,-5.84,;8.31,-4.3,;9.64,-6.61,;10.99,-5.84,;12.32,-6.61,;13.63,-5.83,;14.98,-6.61,;14.98,-8.15,;16.31,-8.92,;16.31,-10.46,;17.62,-11.25,;17.62,-12.79,;18.98,-10.48,;13.63,-8.92,;12.3,-8.15,;10.99,-4.3,;9.64,-3.53,;12.32,-3.53,;12.3,-1.99,;13.65,-1.2,;13.63,.34,;12.28,1.11,;10.94,.32,;10.97,-1.24,;12.32,-5.07,;13.8,-4.67,;14.89,-5.75,;16.38,-5.35,;16.76,-3.86,;15.66,-2.76,;14.19,-3.18,)|

C[C@H](NC(=O)[C@@H](CO)NC(=O)OCc1ccccc1)C(=O)NC(CCCNC(N)=N)P(=O)(Oc1ccccc1)Oc1ccccc1

[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#8])-[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6](-[#6]-c1ccc(cc1)\[#7]=[#6](/[#7])-[#7])P(=O)([#8]-c1ccccc1)[#8]-c1ccccc1

NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(NCC1CC1)c1cccc(c1)C#N)C(F)(F)F

CCCOc1c(cnn1-c1ccccn1)-c1csc(n1)-c1cc(sc1SC)C(N)=N

NC(=N)c1ccc2cc(cc(-c3ccoc3)c2c1)C(=O)Nc1ccccc1

COc1ccc2ccc(cc2c1C1CCOC1)C(N)=N

CCS(=O)(=O)c1cc(co1)-c1cc(cc2ccc(cc12)C(N)=N)C(=O)Nc1ccccc1

[H]/N=C(\c1ccc2cccc(c2c1)N)/N

c1cnc(nc1)Nc2cc(cc3c2cc(cc3)C(=N)N)C(=O)Nc4ccc(cc4)CN

CC(C)Oc1cccc(NC(=O)c2cc(C3CCOC3)c3cc(ccc3c2)C(N)=N)c1

c1cc2ccc(cc2c(c1)Nc3ncccn3)C(=N)N

NC(=N)c1ccc2cc(cc(C3CCOC3)c2c1)C(=O)Nc1ccccc1

COc1ccc2ccc(cc2c1-c1cnn(c1)S(C)(=O)=O)C(N)=N

[H]/N=C(\c1ccc2cc(cc(c2c1)Nc3ncccn3)C(=O)Nc4ccccc4)/N

CCS(=O)(=O)c1cc(co1)-c1cc(cc2ccc(cc12)C(N)=N)C(=O)Nc1cccc(OC2CCCC2)c1

COc1ccc2ccc(cc2c1-c1ccoc1)C(N)=N

CCSc1cc(co1)-c1cc(cc2ccc(cc12)C(N)=N)C(=O)Nc1ccccc1

[#6]-[#8]-c1ccc(cc1)-c1ccc2c(Cl)cnc(\[#7]=[#6](\[#7])-[#7])c2c1

[#6]-[#6](-[#8])-c1ccc2ccnc(\[#7]=[#6](\[#7])-[#7])c2c1

[#7]\[#6](-[#7])=[#7]/c1nccc2ccccc12

[#7]\[#6](-[#7])=[#7]/c1ncc(Cl)c2ccc(cc12)-c1cccc(c1)C#N

[#7]\[#6](-[#7])=[#7]\c1nccc2cc(Br)ccc12

[#6]-c1ccc(cc1)-c1ccc2c(Cl)cnc(\[#7]=[#6](\[#7])-[#7])c2c1

[#7]\[#6](-[#7])=[#7]/c1nccc2ccc(cc12)-c1ccccc1

[#7]\[#6](-[#7])=[#7]/c1nccc2ccc(Br)cc12

[#7]\[#6](-[#7])=[#7]/c1nccc2c(Br)cccc12

[#7]\[#6](-[#7])=[#7]\c1nccc2c(cccc12)-c1ccccc1

[#7]\[#6](-[#7])=[#7]\c1ncc(Cl)c2ccc(cc12)-c1ccc2-[#8]-[#6]-[#8]-c2c1

[#6]-[#8]-c1ccc(cc1-c1ccc2c(Cl)cnc(\[#7]=[#6](/[#7])-[#7])c2c1)-[#6](-[#8])=O

[#7]\[#6](-[#7])=[#7]/c1nccc2ccc(cc12)-c1ccc2-[#8]-[#6]-[#8]-c2c1

[#6]-[#8]-c1ccccc1-c1ccc2c(Cl)cnc(\[#7]=[#6](/[#7])-[#7])c2c1

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]1C2CCCC2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)[C@@H](C)CC)C(C)(C)C)C(=O)C(=O)NC1CC1

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

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)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

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

[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|

[H]/N=C(/c1ccc2cc(ccc2c1)[C@@H]3C[C@H]3c4ccccc4)\N

NC(=N)c1ccc2cc(\C=C\c3ccccc3)cc(Br)c2c1

CC(C)C1N(C)CCc2ccc(cc12)C1CC1c1ccc2cc(ccc2c1)C(N)=N

NC(=N)c1ccc2cc(cc(Nc3ncccn3)c2c1)C1CC1c1ccccc1

NC(=N)c1ccc2cc(ccc2c1)C1CC1c1ccc2CCN=C(c3ccccc3)c2c1 |t:25|

CC(C)C1=NCCc2ccc(cc12)C1CC1c1ccc2cc(ccc2c1)C(N)=N |t:3|

CC(C)C1=NCCc2ccc(cc12)[C@H]1CC1c1ccc2cc(ccc2c1)C(N)=N |t:3|

NC(=N)c1ccc2cc(cc(Br)c2c1)C(=O)Nc1ccccc1

CN1CCc2ccc(cc2C1C1CCCCC1)C1CC1c1ccc2cc(ccc2c1)C(N)=N

NC(=N)c1ccc2cc(\C=C\c3ccccc3)cc(Nc3ncccn3)c2c1

NC(=N)c1ccc2cc(ccc2c1)C1CC1c1ccc2CCN=C(C3CCCCC3)c2c1 |t:25|

NC(=N)c1ccc2cc(\C=C\c3ccccc3)cc(-c3ccoc3)c2c1

NC(=N)c1ccc2cc(\C=C\c3ccccc3)ccc2c1

NC(=N)c1ccc2cc(CCc3ccccc3)cc(Nc3ncccn3)c2c1

CC(C)Oc1cccc(c1)C1CC1c1ccc2cc(ccc2c1)C(N)=N

NC(=N)c1ccc2cc(cc(Br)c2c1)C1CC1c1ccccc1

COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1nccc(OC)c1F

NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)C1(O)c2ccccc2-c2cnccc12

Cc1cc2cc(ccc2o1)N=C(N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O)C(C#N)C(=O)OCCCCO |w:10.11|

CC(C)(C)[C@H](NC(=O)[C@H](CCCONC(N)=N)NC(=O)Cc1ccc(CNC(N)=N)cc1)C(=O)N[C@@H](CCCONC(N)=N)C(=O)NCc1ccc(cc1)C(N)=N |r|

CSc1sc(cc1S(=O)(=O)c1cc(Br)c2n(Cc3cc(F)ccc3F)cnc2c1)C(N)=N

NCc1ccc(CCCNCCNS(=O)(=O)c2ccc3ccccc3c2Cl)cc1

CCOC(=O)N[C@@H](CCCCN)C(=O)c1noc(Cc2ccc(OCCc3ccccc3)cc2)n1

[#6]-[#8]-c1ccc(cc1)S(=O)(=O)[#7]-[#6@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6](-[#6]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7])P(=O)([#8]-c1ccccc1)[#8]-c1ccccc1

[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#8])-[#7]-[#6](=O)-c1c(-[#6])cccc1-[#6])-[#6](=O)-[#7]-[#6](-[#6]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7])P(=O)([#8]-c1ccccc1)[#8]-c1ccccc1

[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#8])-[#7]-[#6](=O)-c1cccc(-[#6])c1)-[#6](=O)-[#7]-[#6](-[#6]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7])P(=O)([#8]-c1ccccc1)[#8]-c1ccccc1

[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#8])-[#7]S(=O)(=O)c1ccc(Br)cc1)-[#6](=O)-[#7]-[#6](-[#6]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7])P(=O)([#8]-c1ccccc1)[#8]-c1ccccc1

[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#8])-[#7]S(=O)(=O)[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6](-[#6]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7])P(=O)([#8]-c1ccccc1)[#8]-c1ccccc1

[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#8])-[#7]-[#6](=O)-c1cccs1)-[#6](=O)-[#7]-[#6](-[#6]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7])P(=O)([#8]-c1ccccc1)[#8]-c1ccccc1

[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#8])-[#7]-[#6](=O)-c1ccc(-[#6])cc1)-[#6](=O)-[#7]-[#6](-[#6]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7])P(=O)([#8]-c1ccccc1)[#8]-c1ccccc1

[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#8])-[#7]S(=O)(=O)c1cccs1)-[#6](=O)-[#7]-[#6](-[#6]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7])P(=O)([#8]-c1ccccc1)[#8]-c1ccccc1

[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#8])-[#7]-[#6](=O)-c1ccccc1-[#6])-[#6](=O)-[#7]-[#6](-[#6]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7])P(=O)([#8]-c1ccccc1)[#8]-c1ccccc1

C[C@H](NC(=O)[C@@H](CO)NC(=O)C1C2CC3CC(C2)CC1C3)C(=O)NC(Cc1ccc(NC(N)=N)cc1)P(=O)(Oc1ccccc1)Oc1ccccc1 |TLB:17:16:20:13.12.11,THB:18:16:13:20.19.11|

[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#8])-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6](-[#6]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7])P(=O)([#8]-c1ccccc1)[#8]-c1ccccc1

[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#8])-[#7]S(=O)(=O)c1cccc2ccccc12)-[#6](=O)-[#7]-[#6](-[#6]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7])P(=O)([#8]-c1ccccc1)[#8]-c1ccccc1

[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#8])-[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6](-[#6]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7])P(=O)([#8]-c1ccc(-[#7]-[#6](-[#6])=O)cc1)[#8]-c1ccc(-[#7]-[#6](-[#6])=O)cc1

[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#8])-[#7]S(=O)(=O)c1ccc(cc1)C#N)-[#6](=O)-[#7]-[#6](-[#6]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7])P(=O)([#8]-c1ccccc1)[#8]-c1ccccc1

[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#8])-[#7]S(=O)(=O)c1ccccc1)-[#6](=O)-[#7]-[#6](-[#6]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7])P(=O)([#8]-c1ccccc1)[#8]-c1ccccc1

NC(=N)c1ccc(CNC(=O)c2cnn(Cc3ccccc3)c2)cc1

COC(=O)c1ccc(NC(=O)[C@H](CCCCN)NC(=O)[C@H]2CCC(CN)CC2)cc1 |r,wU:11.11,wD:20.19,(10,-3.85,;8.67,-3.08,;7.33,-3.85,;7.33,-5.39,;6,-3.08,;4.67,-3.85,;3.34,-3.09,;3.34,-1.54,;2,-.77,;.67,-1.54,;.67,-3.08,;-.66,-.77,;-.66,.77,;-2,1.54,;-2,3.08,;-3.33,3.85,;-3.33,5.39,;-2,-1.54,;-3.33,-.77,;-3.33,.77,;-4.67,-1.54,;-6,-.77,;-7.33,-1.54,;-7.33,-3.08,;-8.67,-3.85,;-10,-3.08,;-6,-3.85,;-4.67,-3.08,;4.67,-.77,;6,-1.54,)|

CC(C)COC(=O)c1ccc(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]2CCC(CN)CC2)cc1 |r,wU:14.14,wD:25.24,(11.33,-4.23,;10,-3.46,;10,-1.92,;8.67,-4.23,;7.33,-3.46,;6,-4.23,;6,-5.77,;4.66,-3.46,;3.34,-4.23,;2,-3.47,;2,-1.93,;.67,-1.16,;-.66,-1.93,;-.66,-3.47,;-2,-1.16,;-2,.38,;-3.33,1.15,;-3.33,2.69,;-4.67,3.46,;-4.67,5,;-3.33,5.77,;-6,5.77,;-3.33,-1.93,;-4.67,-1.16,;-4.67,.38,;-6,-1.93,;-7.33,-1.16,;-8.67,-1.93,;-8.67,-3.47,;-10,-4.24,;-11.33,-3.47,;-7.33,-4.24,;-6,-3.47,;3.34,-1.16,;4.66,-1.92,)|

CC(=O)c1ccc(NC(=O)C(CCCNC(=N)NS(=O)(=O)c2c(C)cc(C)cc2C)NC(=O)[C@H]2CCC(CN)CC2)cc1 |r,wD:33.33,(8.67,-4.62,;7.33,-5.39,;7.33,-6.93,;6,-4.62,;4.67,-5.39,;3.34,-4.63,;3.34,-3.08,;2,-2.31,;.67,-3.08,;.67,-4.62,;-.66,-2.31,;-.66,-.77,;-2,,;-2,1.54,;-3.33,2.31,;-3.33,3.85,;-4.67,4.62,;-2,4.62,;-.66,3.85,;-1.44,2.51,;.1,2.51,;.67,4.62,;2.01,3.85,;2.01,2.31,;3.33,4.62,;3.33,6.16,;4.67,6.93,;2,6.93,;.67,6.16,;-.66,6.93,;-2,-3.08,;-3.33,-2.31,;-3.33,-.77,;-4.67,-3.08,;-6,-2.31,;-7.33,-3.08,;-7.33,-4.62,;-8.67,-5.39,;-8.67,-6.93,;-6,-5.39,;-4.67,-4.62,;4.67,-2.31,;6,-3.08,)|

NCC1CC[C@@H](CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(CC(O)=O)cc1 |r,wU:11.12,wD:5.8,(-10,-3.08,;-8.67,-3.85,;-7.33,-3.08,;-7.33,-1.54,;-6,-.77,;-4.67,-1.54,;-4.67,-3.08,;-6,-3.85,;-3.33,-.77,;-3.33,.77,;-2,-1.54,;-.66,-.77,;-.66,.77,;.67,1.54,;.67,3.08,;2,3.85,;3.34,3.08,;3.34,1.55,;2.01,.77,;.67,-1.54,;.67,-3.08,;2,-.77,;3.34,-1.54,;4.67,-.77,;6,-1.54,;6,-3.08,;7.33,-3.85,;8.67,-3.08,;10,-3.85,;8.67,-1.54,;4.67,-3.85,;3.34,-3.08,)|

CC(=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CCC(CN)CC2)cc1 |r,wU:10.10,wD:21.21,(9.33,-2.31,;8,-3.08,;8,-4.62,;6.67,-2.31,;5.34,-3.08,;4,-2.31,;4,-.77,;2.67,0,;1.34,-.77,;1.34,-2.31,;0,0,;0,1.54,;1.34,2.31,;2.68,1.54,;4,2.32,;4,3.85,;2.67,4.62,;1.34,3.85,;-1.33,-.77,;-2.66,0,;-2.66,1.54,;-4,-.77,;-5.33,0,;-6.67,-.77,;-6.67,-2.31,;-8,-3.08,;-9.33,-2.31,;-5.33,-3.08,;-4,-2.31,;5.34,0,;6.67,-.77,)|

COc1ccnc(CNC(=O)c2cn(Cc3ccc(Cn4ccccc4=O)cc3)nc2C(F)(F)F)c1F

CC(O)C1NC(=O)C2CSCc3cc(CSCC(NC(=O)C(C)N)C(=O)NC(CCCNC(N)=N)C(=O)NC(Cc4c[nH]c5ccccc45)C(=O)N4CCCC4C(=O)NC(C)C(=O)NC(CCCNC(N)=N)C(=O)N2)cc(CSC(NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(CC(N)=O)NC(=O)C(CCC(N)=O)NC(=O)C(Cc2c[nH]cn2)NC1=O)C(=O)NC(C)C(N)=O)c3

CC(C)CC1NC(=O)C(CC(O)=O)NC(=O)C(CCC(N)=O)NC(=O)C(Cc2c[nH]cn2)NCC(C)NC(=O)C2CSCc3cc(CSCC(NC(C)=O)C(=O)NC(CO)C(=O)NC(Cc4ccccc4)C(=O)N4CCC4C(=O)NC(Cc4ccc(O)cc4)C(=O)NC(CCCNC(N)=N)C(=O)N2)cc(CSC(NC1=O)C(N)=O)c3

CC(C)C1NC(=O)C(CC(N)=O)NC(=O)C2CSCc3cc(CSCC(NC(=O)C(CCCNC(N)=N)NC1=O)C(=O)NC(C)C(N)=O)cc(CSCC(NC(=O)C(C)N)C(=O)NC(Cc1ccccc1)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)N2)c3

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)=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)=O)NC(=O)[C@H](CCCNC(N)=N)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)CNC1=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)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)CN |r|

Nc1nccc2cc(ccc12)-c1cccc(c1)B(O)O

[O-]S(=O)(=O)Oc1cc(OS([O-])(=O)=O)cc(c1)C(=O)O[C@H]1[C@@H](OC(=O)c2cc(OS([O-])(=O)=O)cc(OS([O-])(=O)=O)c2)[C@H](OC(=O)c2cc(OS([O-])(=O)=O)cc(OS([O-])(=O)=O)c2)[C@H](OC(=O)c2cc(OS([O-])(=O)=O)cc(OS([O-])(=O)=O)c2)[C@@H](OC(=O)c2cc(OS([O-])(=O)=O)cc(OS([O-])(=O)=O)c2)[C@@H]1OC(=O)c1cc(OS([O-])(=O)=O)cc(OS([O-])(=O)=O)c1 |r|

COc1ccccc1C(=O)n1nc(cc1NCc1ccc(Cl)s1)-c1ccccn1

CC(C)(C)C(=O)n1nc(cc1NCc1ccc(Cl)s1)-c1ccc[nH]c1=O

C[C@@H](C(=O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)CCc3ccc(s3)Cl

C[C@H](N1CC[C@H](NS(=O)(=O)\C=C(/C)c2ccc(Cl)s2)C1=O)C(=O)N1CCOCC1

C[C@H](N1CC[C@H](NS(=O)(=O)\C=C\c2ccc(Cl)s2)C1=O)C(=O)N1CCOCC1 |r|

Cc1cc(no1)[C@H]1CN(CCN1c1cccc(F)c1)c1cc(F)c2c(N)nncc2c1 |r|

CCOC(=O)N1C[C@@H](NC(=O)c2ccc(Cl)s2)[C@H](C1)NC(=O)c1ccc(cc1)-n1ccccc1=O

Clc1ccc(s1)C(=O)N[C@@H]1COC[C@@H]1NC(=O)c1ccc(cc1)-n1ccccc1=O

CC(=O)N1C[C@@H](NC(=O)c2ccc(Cl)s2)[C@H](C1)NC(=O)c1ccc(cc1)-n1ccccc1=O

CCS(=O)(=O)N1C[C@@H](NC(=O)c2ccc(Cl)s2)[C@H](C1)NC(=O)c1ccc(cc1)-n1ccccc1=O

OC(=O)[C@@H]1C[C@@H](NC(=O)c2ccc(Cl)s2)[C@H](C1)NC(=O)c1ccc(cc1)-n1ccccc1=O

OC[C@@H]1C[C@@H](NC(=O)c2ccc(Cl)s2)[C@H](C1)NC(=O)c1ccc(cc1)-n1ccccc1=O

N=C(N)c1ccc(CNC(=O)[C@H](Cc2cccc(C(=N)N)c2)NC(=O)[C@@H](CCCc2ccccc2)NS(=O)(=O)Cc2cccc(C(=O)O)c2)cc1

Nc1nc(nn1C(=O)c1ccc(NC(=O)c2ccccc2)cc1)-c1ccccn1

CC(C)N1CCN(c2ccc(C(=O)n3nc(-c4ccccn4)nc3N)c3ccccc23)CC1

Nc1nc(-c2ccccn2)nn1C(=O)c1ccc(N2CCN(C3COC3)CC2)c2ccccc12

CC(C)N1CCCN(c2ccc(C(=O)n3nc(-c4ccccn4)nc3N)c3ccccc23)CC1

CSCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc2ccccc2)NC1=O)C(C)C)C(C)C

COc1cc2cc(C(=O)Oc3ccc4cc(C(=N)N)ccc4c3)c(=O)oc2cc1OC

COc1cc2cc(C(=O)Oc3ccc4c(N)nccc4c3)c(=O)oc2cc1OC

CC1=C([C@H](NC(=O)N1c2cccc(c2)C(F)(F)F)c3ccc(nc3)C#N)C(=O)C

CN1[C@@H](C(C#N)=C(C)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)(=O)=O)C#N |r,t:5|

Cc1ncc2CN(C3CCN(CC3)C(=O)CCS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C(=O)n12

NCCC1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(c1)-c1cccnc1

NCCC1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(c1)-c1ccc2[nH]ccc2c1

NCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(c1)-c1ccc(N)nc1 |r|

NCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(c1)C1CCC(N)=NC1 |r,c:39|

Cc1nccc(n1)-c1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CCN)CC1 |r|

NCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(CN)c1)NS(=O)(=O)c1cccc(NC(=O)CCN)c1 |r|

NCCC1CCN(CC1)C(=O)[C@H](Cc1ccc(CN)cc1)NS(=O)(=O)c1cccc(NC(=O)CCN)c1 |r|

NCCCCc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CCN)CC1 |r|

NCCCNc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CCN)CC1 |r|

NCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(NC(=O)C2CNC2)c1 |r|

NCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(NC(=O)CCO)c1 |r|

CCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CCN)CC1 |r|

CCOC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CCN)CC1 |r|

NCCC1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(c1)-c1ccccc1

NCCC1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(c1)-c1ccccc1Cl

NCCC1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(c1)-c1cccc(Cl)c1

NCCC1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(c1)-c1ccc(Cl)cc1

COc1ccc(cc1)-c1cccc(c1)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CCN)CC1

CCOc1ccc(cc1)-c1cccc(c1)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CCN)CC1

CC(C)Oc1ccc(cc1)-c1cccc(c1)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CCN)CC1

COc1ccc(cc1OC)-c1cccc(c1)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CCN)CC1

CCc1ccc(cc1)-c1cccc(c1)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CCN)CC1

NCCC1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(c1)-c1ccncc1

COc1ccc(cc1)-c1cccc(c1)S(=O)(=O)NC(Cc1cccc(CN)c1)C(=O)N1CCC(CCN)CC1

CC(=N)N1CC[C@@H](C1)Oc1ccc(cc1)[C@H](Cc1ccc2ccc(cc2c1)C(N)=N)C(O)=O |r|

CN(C)C(=O)[C@H]1CC[C@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)[C@@H](C1)NC(=O)c1nc2CCN(C)Cc2s1 |r|

NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CCCC(O)=O)CC1 |r|

COC(=O)CCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(NC(=O)CCN)c1 |r|

CNC(=O)CCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(NC(=O)CCN)c1 |r|

NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CCCC(N)=O)CC1 |r|

NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)C(=O)OCc1ccccc1 |r|

NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CC1)C(N)=O |r|

NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC(Cc2ccccc2)CC1 |r|

NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCCC(C1)C(N)=O |r|

NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCCCC1 |r|

NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCNCC1 |r|

CC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(NC(=O)CCN)c1 |r|

CNC(=O)CCC(=O)N1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(NC(=O)CCN)c1 |r|

CCOC(=O)N1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(NC(=O)CCN)c1 |r|

NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)c1ccc(O)cc1 |r|

NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCCC[C@@H]1C(O)=O |r|

CC1CCCCN1C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(NC(=O)CCN)c1 |r|

COC(=O)[C@H]1CCCCN1C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(NC(=O)CCN)c1 |r|

COC(=O)[C@@H]1CCCCN1C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(NC(=O)CCN)c1 |r|

NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCCC[C@H]1C(O)=O |r|

CN(C)C(=N)c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1

COc1ccc(NC(=O)c2ccc(cc2)C(=N)N(C)C)c(c1)C(=O)Nc1ccc(Cl)cn1

CN(C)C(=N)c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1

COc1ccc(NC(=O)c2ccc(cc2F)C(=N)N(C)C)c(c1)C(=O)Nc1ccc(Cl)cn1

NC(=N)c1ccc(cc1)C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cn1

CN[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O)c1ccccc1

COC(=O)c1oc2c(sc3ccccc23)c1OC(=O)C(C)C

NCCCC[C@H](NC(=O)CN(C1CCCCC1)C(=O)CCc1ccccc1)B(O)O

NCCCC[C@H](NC(=O)CN(C(=O)CCc1ccccc1)c1ccccc1)B(O)O

CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)B(O)O

CC(C)N(CC(=O)N[C@@H](CCCCN)B(O)O)C(=O)CCc1ccccc1

NCCCC[C@H](NC(=O)CN(CCc1ccccc1)C(=O)CCc1ccccc1)B(O)O

CN(CC(=O)N[C@@H](CCCNC=N)B(O)O)C(=O)CCc1ccccc1

CN(CC(=O)N[C@@H](CCCNC(N)=N)B(O)O)C(=O)CCc1ccccc1

CN(CC(=O)N[C@@H](CCCCN)B(O)O)C(=O)CCc1ccccc1

CN=C(N)NCCC[C@H](NC(=O)CN(C)C(=O)CCc1ccccc1)B(O)O |w:1.0|

NCCCC[C@H](NC(=O)CN(C1CC1)C(=O)CCc1ccccc1)B(O)O

Ic1ccccc1-c1nc2ccccc2c(=O)o1

CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CCCN(C1O)C(N)=N |r|

[#6]C([#6])([#6])[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nc2ccccc2o1

CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2o1

CC(C)(C)CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2[nH]1

CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@H]1CCCN(C1O)C(N)=N |r|

Cc1ncc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)N[C@H]1CCCN(C1O)C(N)=N

Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)N[C@H]1CCCN(C1O)C(N)=N

Cn1cc(NS(=O)(=O)Cc2ccccc2)c(=O)n(CC(=O)N[C@H]2CCCN(C2O)C(N)=N)c1=O

CC(C)(C)OC(=O)N[C@@H](CC(O)=O)C(=O)N1CCCC1C(=O)N[C@@H](CCCNC(N)=N)C(=O)C(=O)NCCc1ccccc1

CC(=O)NN(Cc1ccccc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)C(=O)NCCc1ccccc1

NC(=N)N1CCC[C@H](NC(=O)C2CS[C@H]3CC[C@H](NS(=O)(=O)Cc4ccccc4)C(=O)N23)C1O

COC(=O)C[C@H](NS(=O)(=O)Cc1ccccc1)C(=O)N1CCCC1C(=O)N[C@H]1CCCN(C1O)C(N)=N

CCCC(CCC)C(=O)N[C@@H](CC(=O)OC)C(=O)N1CCCC1C(=O)N[C@H]1CCCN(C1O)C(N)=N

Cc1cc2cc(ccc2o1)N=C(NC#N)N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O |r,w:10.11|

CN(C)C1CCN(C1)c1c(F)c(Oc2cc(N)cc(c2)-c2cccc(CN)c2)nc(Oc2cc(C)ccc2C(O)=O)c1F

Cc1ccc(C(O)=O)c(Oc2nc(Oc3cc(O)cc(c3)-c3cccc(CN)c3)c(F)cc2F)c1

Cc1ccc(C(O)=O)c(Oc2nc(Oc3cc(CN)cc(c3)-c3cccc(CN)c3)c(F)cc2F)c1

Cc1ccc(C(O)=O)c(Oc2nc(Oc3cc(N)cc(c3)-c3cccc(CN)c3)c(F)cc2F)c1

Cc1ccc(C(O)=O)c(Oc2nc(Oc3cc(ccc3N)-c3cccc(CN)c3)c(F)cc2F)c1

COc1ccc(C(O)=O)c(Oc2nc(Oc3cccc(c3)-c3cccc(CN)c3)c(F)cc2F)c1

CC(C)c1ccc(C(O)=O)c(Oc2nc(Oc3cccc(c3)-c3cccc(CN)c3)c(F)cc2F)c1

Cc1cccc(C(O)=O)c1Oc1nc(Oc2cccc(c2)-c2cccc(CN)c2)c(F)cc1F

Cc1ccc(C(O)=O)c(Oc2nc(Oc3cccc(c3)-c3cccc(CN)c3)c(F)cc2F)c1

NCc1cccc(c1)-c1cccc(Oc2nc(Oc3ccccc3C(O)=O)c(F)cc2F)c1

CN(C)C1CCN(C1)c1c(F)c(Oc2cccc(c2)-c2cccc(CN)c2)nc(Oc2cc(ccc2C(O)=O)N(C)C)c1F

CN(C)CCN(C)c1c(F)c(Oc2cccc(c2)-c2cccc(CN)c2)nc(Oc2cc(ccc2C(O)=O)N(C)C)c1F

CN(C)c1ccc(C(O)=O)c(Oc2nc(Oc3cccc(c3)-c3cccc(CN)c3)c(F)c(N3CCNCC3)c2F)c1

CN(C)c1ccc(C(O)=O)c(Oc2nc(Oc3cccc(c3)-c3cccc(CN)c3)c(F)c(N3CCOCC3)c2F)c1

CN(C)c1ccc(C(O)=O)c(Oc2nc(Oc3cccc(c3)-c3cccc(CN)c3)c(F)c(N(C)C)c2F)c1

CNc1c(F)c(Oc2cccc(c2)-c2cccc(CN)c2)nc(Oc2cc(ccc2C(O)=O)N(C)C)c1F

CN(C)c1ccc(C(O)=O)c(Oc2nc(Oc3cccc(c3)-c3cccc(CN)c3)c(F)cc2F)c1

CN(C)c1ccc(C(O)=O)c(Oc2nc(Oc3cccc(c3)-c3cccc(c3)C(N)=N)c(F)c(C)c2F)c1

[#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-c1ccc(cc1)-[#6](-[#7])=[#7] |r|

[#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7] |r|

[#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](-[#7])=[#7] |r|

[#7]\[#6](-[#7])=[#7]\[#8]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-n1c(cnc(-[#7]-[#6]C(F)(F)c2ccccc2)c1=O)C#N

[#7]\[#6](-[#7])=[#7]\[#8]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-n1c(Cl)cnc(-[#7]-[#6]C(F)(F)c2ccccc2)c1=O

[#6]-c1cnc(-[#7]-[#6]C(F)(F)c2ccccc2)c(=O)n1-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#8]\[#7]=[#6](\[#7])-[#7]

c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)C[C@H](C(=O)N3CCC(CC3)N4CCCNC4=O)O

[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6](-[#8-])=O)-[#6](=O)-[#7]-[#6]-1-[#6](-[#6])-[#8]-[#6](=O)-[#6](-[#7]-[#6](=O)-[#6](-[#6]-c2ccc(-[#8])cc2)-[#7](-[#6])-[#6](=O)-[#6](-[#6]-c2ccccc2)-[#7]-2-[#6](-[#8])-[#6]-[#6]-[#6](-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6]\[#7+]=[#6](\[#7])-[#7])-[#7]-[#6]-1=O)-[#6]-2=O)-[#6](-[#6])-[#6]

CCS(=O)(=O)N1C[C@@H]([C@H](C1)C(=O)Nc1ccc(cc1F)-n1ccccc1=O)C(=O)Nc1ccc(Cl)cn1 |r|

c1cc(c(cc1N2C=CC=CC2=O)F)NC(=O)[C@H]3C[N@](C[C@@H]3C(=O)Nc4ccc(cn4)Cl)CC(F)F

CC(C)N1C[C@@H]([C@H](C1)C(=O)Nc1ccc(cc1F)-n1ccccc1=O)C(=O)Nc1ccc(Cl)cn1 |r|

COC(=O)N1C[C@@H]([C@H](C1)C(=O)Nc1ccc(cc1F)-n1ccccc1=O)C(=O)Nc1ccc(Cl)cn1 |r|

[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c1cc(-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#7])cc(c1)-[#6](-[#6])=[#7]\[#7]=[#6](\[#7])-[#7] |w:2.2,22.23|

[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c1cc(-[#7]S(=O)(=O)c2ccccc2)cc(c1)-[#6](-[#6])=[#7]\[#7]=[#6](\[#7])-[#7] |w:25.27,2.2|

[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c1cc(-[#7]-[#6](=O)-[#6@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])cc(c1)-[#6](-[#6])=[#7]\[#7]=[#6](\[#7])-[#7] |r,w:27.28,2.2|

[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c1cc(-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])cc(c1)-[#6](-[#6])=[#7]\[#7]=[#6](\[#7])-[#7] |w:26.27,2.2|

[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c1cc(-[#7]-[#6](=O)-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])cc(c1)-[#6](-[#6])=[#7]\[#7]=[#6](\[#7])-[#7] |w:25.26,2.2|

[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c1cc(-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])cc(c1)-[#6](-[#6])=[#7]\[#7]=[#6](\[#7])-[#7] |w:27.28,2.2|

[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6]-[#6@@H](-[#7]S(=O)(=O)[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6]-c1ccc(cc1)-[#6](-[#7])=[#7] |r|

[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCN/C(=N/[H])/N)NS(=O)(=O)Cc3ccccc3)\N

CC(C)(C)OC(=O)CC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(cc1)C(N)=N |r|

NCCCC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(cc1)C(N)=N |r|

NC(=N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCC(=O)N2CCN(CC2)c2ncccn2)NS(=O)(=O)Cc2ccccc2)cc1 |r|

NC(=N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCC(=O)N2CCN(CC2)C(=O)OCc2ccccc2)NS(=O)(=O)Cc2ccccc2)cc1 |r|

NC(=N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCC(=O)N2CCNCC2)NS(=O)(=O)Cc2ccccc2)cc1 |r|

[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6]-c1ccc(cc1)-[#6](-[#7])=[#7])-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]S(=O)(=O)[#6]-c1ccccc1 |r|

[#6]-[#6](-[#6])-[#6@H](-[#7]-[#6]-c1ccc(cc1)-[#6](-[#7])=[#7])-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]S(=O)(=O)[#6]-c1ccccc1 |r|

[#6]-[#6@H](-[#7]-[#6]-c1ccc(cc1)-[#6](-[#7])=[#7])-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]S(=O)(=O)[#6]-c1ccccc1 |r|

[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H](-[#7]S(=O)(=O)[#6]-c1ccccc1)-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6]-c1ccc(cc1)-[#6](-[#7])=[#7] |r|

[#6]-[#6]-[#6](-[#7]-[#6]-c1ccc(cc1)-[#6](-[#7])=[#7])-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]S(=O)(=O)[#6]-c1ccccc1 |r|

CC[C@@H](C)[C@@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C#N |r|

CC[C@@H](C)[C@@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O |r|

NCCCC[C@H](NC(=O)c1ccc(OCc2ccncc2)cc1)C#N |r|

NCCCC[C@H](NC(=O)c1ccc(OCc2ccncc2)c(NC(=O)Cc2ccc(F)cc2)c1)C#N |r|

NCCCC[C@H](NC(=O)c1ccc(OCc2ccncc2)c(NC(=O)Cc2ccc3ccccc3c2)c1)C#N |r|

NCCCC[C@H](NC(=O)c1ccc(OCc2ccncc2)c(NC(=O)Cc2cccc3ccccc23)c1)C#N |r|

CC(C)(C)OC(=O)n1cc(CCC(=O)Nc2cc(ccc2OCc2ccncc2)C(=O)N[C@@H](CCCCN)C#N)c2ccccc12 |r|

NCCCC[C@H](NC(=O)c1ccc(OCc2ccncc2)c(NC(=O)CCc2c[nH]c3ccccc23)c1)C#N |r|

NCCCC[C@H](NC(=O)c1ccc(OCc2ccncc2)c(NC(=O)CCc2cn(Cc3ccc(F)cc3)c3ccccc23)c1)C#N |r|

c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)N[C@H]3CCCN(C3=O)CC(=O)N4C[C@@H]5C[C@H](C4)C6=CC=CC(=O)N6C5

COc1cc(NC(=O)c2ccc3cc(ccc3c2)C(N)=N)cc(OC)c1

COC(=O)c1cccc(c1)-c1ccc(NC(=O)c2ccc3cc(ccc3c2)C(N)=O)cc1

COc1cccc(c1)-c1ccc(NC(=O)c2ccc3cc(ccc3c2)C(N)=O)cc1

NC(=O)c1ccc2cc(ccc2c1)C(=O)Nc1ccc(cc1)-c1cccc(c1)C(F)(F)F

COC(=O)c1cccc(c1)-c1ccc(NC(=O)c2ccc3cc(OC)ccc3c2)cc1

COc1cccc(c1)-c1ccc(NC(=O)c2ccc3cc(OC)ccc3c2)cc1

COc1ccc2cc(ccc2c1)C(=O)Nc1ccc(cc1)-c1cccc(c1)[N+]([O-])=O

COc1ccc2cc(ccc2c1)C(=O)Nc1ccc(cc1)-c1cccc(c1)C(F)(F)F

COC(=O)c1cccc(c1)-c1ccc(NS(=O)(=O)c2ccc3cc(OC)ccc3c2)cc1

CN(c1cccc(OCCNc2ccncc2)c1)S(=O)(=O)c1ccccc1

O=S(=O)(Nc1cccc(OCCNc2ccncc2)c1)c1ccccc1

Clc1ccc(cc1)S(=O)(=O)Nc1cccc(OCCNc2ccncc2)c1

C(COc1ccccc1)Nc1ccncc1

O=C(CNS(=O)(=O)c1ccccc1)N[C@H](CCNc1ccncc1)C(=O)N1CCCCC1

Nc1ccncc1

c1ccc(cc1)C(=N)N

Clc1ccc(cc1)S(=O)(=O)NCC(=O)N[C@H](CCNc1ccncc1)C(=O)N1CCCCC1

NC(=N)c1ccc(COc2cccc(CCNS(=O)(=O)c3ccc(Cl)cc3)c2)cc1

OCCNc1ccncc1

O=C(CNS(=O)(=O)c1ccc2ccccc2c1)N[C@@H](CCNc1ccncc1)C(=O)N1CCCCC1

O=S(=O)(Nc1cccc(OCCNc2ccncc2)c1)c1ccc2ccccc2c1

O=C(CNS(=O)(=O)c1ccc2ccccc2c1)N[C@H](CCNc1ccncc1)C(=O)N1CCCCC1

Clc1ccc(cc1)S(=O)(=O)NCCc1cccc(OCCNc2ccncc2)c1

NC(=N)c1ccc(C[C@@H](NC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)cc1

Cc1cccc(OCCNc2ccncc2)c1

Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCC1CCN(CC1)C(N)=N

C[C@@H]1CCN([C@H](C1)C(O)=O)C(=O)[C@H](CCCNC(N)=N)NS(=O)(=O)c1cccc2CC(C)CNc12

CC(=O)N[C@H]1CCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H]1CCCN(C1O)C(N)=N |r|

NC(=N)N1CCC[C@H](NC(=O)[C@@H]2CC[C@@H]3CCC[C@H](NS(=O)(=O)Cc4ccccc4)C(=O)N23)C1O |r|

NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1)C=O

NC(=N)N1CCC[C@H](NC(=O)[C@@H]2CC[C@@H]3CCC[C@H](NS(=O)(=O)c4cccc5ccccc45)C(=O)N23)C1O

CC1CNc2c(C1)cccc2S(=O)(=O)N[C@H]1CCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H]1CCCN(C1O)C(N)=N |r|

CC(C)(C)[C@@H](NC(=O)OC12CC3CC(CC(C3)C1)C2)C(=O)N[C@H](C(=O)NC(Cc1ccc(NC(N)=[NH2+])cc1)C(=O)C(F)(F)F)c1ccc2ccccc2c1 |TLB:12:13:17:11.10.16,16:11:18:15.17.14,16:15:18:11.10.12,THB:12:11:17:13.18.14|

CC(C)(C)[C@@H](NC(=O)OC12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC(Cc1ccc(NC(N)=[NH2+])cc1)C(=O)C(F)(F)F |TLB:12:13:17:11.10.16,THB:14:15:10:13.18.12,14:13:10:15.17.16,12:11:17:13.18.14|

CC(C)(C)[C@@H](NC(=O)N1CCOCC1)C(=O)NCC(=O)NC(Cc1ccc(NC(N)=[NH2+])cc1)C(=O)C(F)(F)F

NC(=[NH2+])Nc1ccc(CC(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CCc2ccccc2)NC(=O)OC23CC4CC(CC(C4)C2)C3)C(=O)C(F)(F)F)cc1 |TLB:44:43:46:39.38.40,44:39:46:43.45.42,40:41:45:39.38.44,THB:40:39:45:41.46.42|

CC(C)(C)[C@@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC(Cc1ccc(NC(N)=[NH2+])cc1)C(=O)C(F)(F)F

CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](C(=O)NC(Cc1ccc(NC(N)=[NH2+])cc1)C(=O)C(F)(F)F)c1ccc2ccccc2c1

CC(C)[C@@H](NC(=O)OC12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC(Cc1ccc(NC(N)=[NH2+])cc1)C(=O)C(F)(F)F |TLB:15:14:17:10.9.11,15:10:17:14.16.13,11:12:16:10.9.15,THB:11:10:16:12.17.13|

CC1CNc2c(C1)cccc2S(=O)(=O)N[C@@H](Cc1nc2ccccc2s1)C(=O)N1CCC(CCO)CC1

CC1(C)CNc2c(C1)cccc2S(=O)(=O)N[C@@H](CSCCCN)C(=O)N1CCC(CCO)CC1 |r|

CCC1CCN(CC1)C(=O)C(Cc1nc2ccccc2s1)NS(=O)(=O)c1cccc2CC(C)(C)CNc12

CC1(C)CNc2c(C1)cccc2S(=O)(=O)N[C@@H](CSCCCN)C(=O)N1CCC(CCF)CC1 |r|

CC[C@@H]1CC(N2[C@@H]1[C@H](C[C@@](N)(CC(C)=C)C2=O)OC)C(=O)NCc1ccc(cc1)C(N)=N

CO[C@H]1C[C@@](O)(Cc2ccccc2)C(=O)N2[C@H]1CC[C@H]2C(=O)NCc1ccc(cc1)C(N)=N

CC[C@@H]1CC(N2[C@@H]1[C@H](C[C@@](N)(CC1=CCCCC1)C2=O)OC)C(=O)NCc1ccc(cc1)C(N)=N |t:13|

CC[C@@H]1CC(N2[C@@H]1[C@H](C[C@@](N)(Cc1ccccc1)C2=O)OC)C(=O)NCc1ccc(cc1)C(N)=N

OC(=O)[C@@H]1[C@@H](CC2CCNCC2)C(=O)N1C(=O)N1CCN(CC1)C(=O)CCCCCc1ccccc1

OC(=O)[C@@H]1[C@@H](CC2CCNCC2)C(=O)N1C(=O)N1CCN(CC1)C(=O)Cc1ccc(OCc2ccccc2)cc1

CC(C)(C)NC(=O)N1CCN(CC1)C(=O)N1[C@@H]([C@@H](CCCNC(N)=N)C1=O)C(O)=O

CC(C)(C)NC(=O)N1CCN(CC1)C(=O)N1[C@@H]([C@@H](CC2CCNCC2)C1=O)C(O)=O

[#6]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7]

NC(=[NH2+])Nc1ccc(cc1)[N+]([O-])=O

[#7]\[#6](-[#7])=[#7]\c1cccc(Cl)c1

NC(=[NH2+])Nc1ccc(cc1)C([O-])=O

[#7]\[#6](-[#7])=[#7]\c1ccccc1Cl

NC(=N)Nc1ccc(cc1)C(F)(F)F

[#6]-[#8]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7]

CCc1ccc(NC(N)=[NH2+])cc1

COC(=O)c1ccc(NC(N)=[NH2+])cc1

[#7]\[#6](-[#7])=[#7]\c1cccc(c1)C(F)(F)F

NC(=[NH2+])Nc1ccc(F)cc1

[#7]\[#6](-[#7])=[#7+]/c1ccccc1-[#7+](-[#8-])=O

NC(=[NH2+])Nc1ccc(Br)cc1

COc1ccccc1NC(N)=[NH2+]

Cc1ccccc1NC(N)=[NH2+]

NC(=[NH2+])Nc1ccc(\C=C\C(O)=O)cc1

NC(=[NH2+])Nc1ccccc1N

[#7]\[#6](-[#7])=[#7]\c1ccccc1

[#7]-[#6@H](-[#6](-c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1 |r|

CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C=O |r|

[#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O |r|

[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O |r|

[#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O |r|

CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C=O |r|

[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O |r|

[#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O |r|

[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O |r|

[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O |r|

[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](-[#6])=O)-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O |r|

CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C=O |r|

CC1(C)C2CCC1(CCS(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)S(C)(=O)=O)C(=O)C2 |TLB:37:36:1:5.4|

CCOC(=O)N1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1

NC(=N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(CC2)C(=O)C2CCCCC2)c1

CN1CCN(CC1)C(=O)[C@@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1

Cc1c(C)c(c(C)c2CCC(C)(C)Oc12)S(=O)(=O)N[C@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)S(C)(=O)=O

NC(=N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(CC2)C=O)c1

NC(=N)c1cccc(C[C@@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(CCO)CC2)c1

CC1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1

CCCCCC(=O)N1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1

CCCCS(=O)(=O)N1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1

NC(=N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(CCO)CC2)c1

Cc1c(C)c(c(C)c2CCC(C)(C)Oc12)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)S(C)(=O)=O

Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1

CN(C)C(=O)N1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1

CC(C)(C)c1ccc(cc1)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)S(C)(=O)=O

NC(=N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(CC2)C(=O)Oc2ccccc2)c1

NC(=N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(CC2)C(=O)c2ccc3ccccc3c2)c1

CCS(=O)(=O)N1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1

CCCS(=O)(=O)N1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1

CC1(C)C2CCC1(CCS(=O)(=O)N[C@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)S(C)(=O)=O)C(=O)C2 |TLB:37:36:1:5.4|

COc1cc(C)c(c(C)c1C)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)S(C)(=O)=O

CS(=O)(=O)N1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccccc1

CCN(CC)C(=O)N1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1

NC(=N)c1cccc(C[C@@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(CC2)C=O)c1

NC(=N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(CC2)c2ccccc2)c1

CS(=O)(=O)N1CCN(CC1)C(=O)[C@@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1

CCCC(=O)N1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1

CC(=O)N1CCN(CC1)C(=O)[C@H](Cc2cccc(c2)C(=N)N)NS(=O)(=O)c3ccc4ccccc4c3

NC(=N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(CC2)S(=O)(=O)c2ccc3ccccc3c2)c1

CN1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1

CC(=O)N1CCN(CC1)C(=O)[C@@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1

COC(=O)N1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1

CS(=O)(=O)N1CCN(CC1)C(=O)C(N)Cc1cccc(c1)C(N)=N

CS(=O)(=O)N1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc2ccccc12

NC(=N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(CC2)S(=O)(=O)c2ccccc2)c1

CS(=O)(=O)N1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1

CN(C)C(=O)N1CCN(CC1)C(=O)[C@@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1

NC(=N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(CC2)C(=O)c2ccccc2)c1

NC1CCC(CNC(=O)[C@@H]2CCCN2C(=O)CC(c2ccccc2)c2ccccn2)CC1 |wU:9.8,(6.95,-10.61,;5.99,-9.43,;5.61,-8.16,;6.25,-6.56,;4.9,-5.8,;3.53,-5.18,;3.37,-3.64,;1.96,-3.02,;.71,-3.93,;1.8,-1.5,;2.95,-.48,;2.31,.93,;.81,.77,;.49,-.74,;-.92,-1.34,;-1.08,-2.88,;-2.16,-.45,;-2.16,1.09,;-.85,1.85,;.49,1.09,;1.83,1.85,;1.83,3.39,;.49,4.16,;-.85,3.39,;-3.51,1.85,;-3.51,3.41,;-4.82,4.18,;-6.16,3.41,;-6.13,1.85,;-4.82,1.11,;5.32,-6.97,;4.68,-8.66,)|

NC1CCC(CNC(=O)[C@@H]2CCCN2C(=O)CC2c3ccccc3C=Cc3ccccc23)CC1 |wU:9.8,c:26,(10.27,-10.54,;9.32,-9.36,;8.93,-8.11,;9.57,-6.52,;8.23,-5.75,;6.86,-5.12,;6.7,-3.58,;5.27,-2.98,;4.05,-3.87,;5.12,-1.45,;6.29,-.43,;5.65,.98,;4.15,.82,;3.83,-.68,;2.42,-1.29,;2.27,-2.82,;1.18,-.39,;1.18,1.14,;-.35,1.17,;-.93,-.27,;-2.46,-.49,;-3.41,.72,;-2.84,2.16,;-1.31,2.38,;-.96,3.88,;.45,4.52,;1.82,3.82,;2.94,4.87,;4.4,4.42,;4.75,2.92,;3.61,1.87,;2.14,2.32,;8.65,-6.9,;8.01,-8.59,)|

NC1CCC(CNC(=O)[C@@H]2CCCN2C(=O)CC(c2cccnc2)c2ccc3OCOc3c2)CC1 |wU:9.8,(3.95,-11.95,;2.99,-10.74,;1.67,-9.97,;2.29,-8.27,;1.9,-7.1,;.49,-6.47,;.33,-4.95,;-1.06,-4.31,;-2.31,-5.22,;-1.22,-2.77,;-.09,-1.75,;-.71,-.35,;-2.24,-.51,;-2.56,-2,;-3.97,-2.64,;-4.13,-4.16,;-5.21,-1.7,;-5.23,-.17,;-6.56,.6,;-6.56,2.15,;-7.87,2.92,;-9.22,2.15,;-9.21,.6,;-7.87,-.16,;-3.89,.6,;-2.54,-.17,;-1.21,.6,;-1.21,2.15,;-.06,3.2,;-.71,4.62,;-2.25,4.43,;-2.56,2.91,;-3.89,2.14,;3.22,-7.87,;2.58,-9.48,)|

NC1CCC(CNC(=O)[C@@H]2CCCN2C(=O)CC(C2CCCCC2)C2CCCCC2)CC1 |wU:9.8,(15.67,-13.97,;14.71,-12.78,;14.32,-11.52,;14.96,-9.91,;13.61,-9.14,;12.23,-8.51,;12.07,-6.97,;10.66,-6.35,;9.41,-7.26,;10.5,-4.82,;11.66,-3.8,;11.02,-2.39,;9.51,-2.55,;9.19,-4.05,;7.77,-4.66,;7.61,-6.2,;6.52,-3.76,;6.52,-2.22,;7.84,-1.44,;9.19,-2.21,;10.5,-1.44,;10.5,.1,;9.15,.87,;7.84,.09,;5.18,-1.45,;5.18,.1,;3.83,.87,;2.51,.1,;2.51,-1.45,;3.83,-2.22,;14.03,-10.31,;13.39,-12.01,)|

NC1CCC(CNC(=O)[C@@H]2CCCN2C(=O)CC(c2ccccc2)c2cccnc2)CC1 |wU:9.8,(5.07,-10.18,;4.11,-8.99,;3.7,-7.74,;4.34,-6.14,;3.02,-5.37,;1.62,-4.73,;1.45,-3.19,;.06,-2.58,;-1.19,-3.48,;-.1,-1.04,;1.04,-.01,;.42,1.4,;-1.11,1.24,;-1.43,-.27,;-2.84,-.88,;-3.01,-2.42,;-4.07,.02,;-4.1,1.56,;-2.76,2.33,;-1.41,1.56,;-.09,2.33,;-.09,3.87,;-1.43,4.64,;-2.76,3.87,;-5.42,2.33,;-5.42,3.87,;-6.74,4.64,;-8.09,3.87,;-8.07,2.33,;-6.74,1.56,;3.41,-6.52,;2.79,-8.22,)|

NC1CCC(CNC(=O)[C@@H]2CCCN2C(=O)CC(c2ccccc2)c2ccccc2)CC1 |wU:9.8,(18.93,-14,;17.97,-12.81,;16.65,-12.04,;17.27,-10.34,;16.88,-9.19,;15.48,-8.55,;15.31,-7.01,;13.92,-6.4,;12.67,-7.29,;13.76,-4.86,;14.9,-3.83,;14.28,-2.42,;12.75,-2.58,;12.43,-4.09,;11.02,-4.7,;10.86,-6.24,;9.79,-3.8,;9.76,-2.26,;8.44,-1.49,;7.09,-2.26,;5.78,-1.49,;5.78,.05,;7.09,.82,;8.44,.05,;11.1,-1.49,;12.43,-2.26,;13.76,-1.49,;13.76,.05,;12.42,.82,;11.08,.05,;18.2,-9.96,;17.56,-11.56,)|

NC1CCC(CNC(=O)[C@@H]2CCCN2C(=O)CC(c2ccccc2)c2ccncc2)CC1 |wU:9.8,(4.43,-12.54,;3.47,-11.35,;3.06,-10.09,;3.71,-8.48,;2.38,-7.71,;.97,-7.08,;.81,-5.54,;-.58,-4.92,;-1.83,-5.83,;-.74,-3.38,;.4,-2.36,;-.22,-.94,;-1.76,-1.1,;-2.08,-2.61,;-3.49,-3.22,;-3.65,-4.77,;-4.75,-2.32,;-4.75,-.78,;-3.41,-.01,;-2.06,-.78,;-.73,-.01,;-.73,1.53,;-2.08,2.3,;-3.41,1.53,;-6.07,-.01,;-6.07,1.54,;-7.39,2.31,;-8.74,1.54,;-8.73,-.01,;-7.39,-.77,;2.77,-8.88,;2.15,-10.58,)|

NC1CCC(CNC(=O)[C@@H]2CCCN2C(=O)C(NS(=O)(=O)Cc2ccccc2)C(c2ccccc2)c2ccccc2)CC1 |wU:9.8,(16.05,-4.09,;16.82,-5.42,;16.81,-7.08,;17.34,-8.54,;16.12,-9.36,;16.57,-10.83,;15.52,-11.95,;14.02,-11.6,;12.97,-12.72,;13.56,-10.13,;14.5,-8.9,;13.63,-7.64,;12.11,-8.1,;12.12,-9.64,;10.86,-10.51,;10.97,-12.05,;9.46,-9.85,;8.2,-10.74,;6.87,-11.5,;6.09,-10.16,;7.64,-12.86,;5.51,-12.28,;4.18,-11.51,;4.18,-9.97,;2.85,-9.2,;1.52,-9.97,;1.52,-11.53,;2.85,-12.28,;9.33,-8.33,;7.93,-7.68,;7.8,-6.14,;6.4,-5.49,;5.14,-6.38,;5.28,-7.92,;6.68,-8.56,;10.59,-7.44,;9.81,-6.11,;10.59,-4.77,;12.13,-4.77,;12.89,-6.11,;12.13,-7.44,;16.29,-7.89,;15.73,-6.52,)|

CCOC(=O)C(Oc1ccc2CCN(Cc2c1)C(N)=N)c1ccc(O[C@H]2CCN(C2)C2=CC(=O)CC(C)(C)C2)cc1 |t:33|

NC(=N)N1CCc2ccc(OC(C(O)=O)c3ccc(OC4CCOCC4)cc3)cc2C1

CC1(C)CC(=O)C=C(C1)N1CC[C@@H](C1)Oc1ccc(cc1)C(Oc1ccc2CCN(Cc2c1)C(N)=N)C(O)=O |c:6|

CCOC(=O)C(Oc1ccc2CCN(Cc2c1)C(N)=N)c1ccc(OC2CCOCC2)cc1

CCOC(=O)C(Oc1ccc2CCN(Cc2c1)C(N)=N)c1ccc(OC2CCN(CC2)C(N)=N)cc1

CCOC(=O)C(Oc1ccc2CCN(Cc2c1)C(N)=N)c1ccc(OC2CCN(CC2)C(C)=O)cc1

NC(=N)N1CCc2ccc(OC(C(O)=O)c3ccc(O[C@H]4CCNC4)cc3)cc2C1

NC(=N)N1CCC(CC1)Oc1ccc(cc1)C(Oc1ccc2CCN(Cc2c1)C(N)=N)C(O)=O

CCOC(=O)C(Oc1ccc2CCN(Cc2c1)C(N)=N)c1ccc(OC2CCNCC2)cc1

CCOC(=O)C(Oc1ccc2CCN(Cc2c1)C(N)=N)c1ccc(O[C@H]2CCNC2)cc1

CCOC(=O)C(Oc1ccc2CCN(Cc2c1)C(N)=N)c1ccc(O[C@H]2CCN(C2)C(N)=N)cc1

CC(=N)N1CCC(CC1)Oc1ccc(cc1)C(Oc1ccc2CCN(Cc2c1)C(N)=N)C(O)=O

NC(=N)N1CCc2ccc(OC(C(O)=O)c3ccc(OC4CCNCC4)cc3)cc2C1

CCOC(=O)C(Oc1ccc2CCN(Cc2c1)C(N)=N)c1ccc(OC2CCN(CC2)C(C)=N)cc1

CCOC(=O)C(Oc1ccc2CCN(Cc2c1)C(N)=N)c1ccc(O[C@H]2CCN(C2)C(=O)OCC=C)cc1

CCOC(=O)C(Oc1ccc2CCN(Cc2c1)C(N)=N)c1ccc(OC2CCN(CC2)C(=O)OCC=C)cc1

CCOC(=O)C(Oc1ccc2CCN(Cc2c1)C(N)=N)c1ccc(O[C@H]2CCN(CC=C)C2)cc1

CC(=N)N1CC[C@@H](C1)Oc1ccc(cc1)[C@H](Cc1ccc2ccc(cc2c1)C(N)=N)C(O)=O

COc1ccc2ccc(cc2c1)S(=O)(=O)N[C@H]1CCN(Cc2cccc(c2)C(N)=N)C1=O |r|

NC(=N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3ccc4ccccc4c3)C2=O)c1

COc1ccc2ccc(cc2c1)S(=O)(=O)N(C)[C@H]1CCN(Cc2csc(c2)C(N)=N)C1=O |r|

CC1(C)CNc2c(C1)cccc2S(=O)(=O)NC(CCCNC(N)=N)C(=O)N1CCC(CCO)CC1

CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(nn2-c2cccc(CN)c2)C(F)(F)F)c(F)c1

NC(=N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](NCC(O)=O)C(c2ccccc2)c2ccccc2)s1

NCc1ccccc1-n1nc(cc1C(=O)Nc1ccc(cc1F)-c1ccccc1S(N)(=O)=O)C(F)(F)F

NC(=N)N1CCc2ccc(OCC3(CCN(CC3)c3ccncc3)C(O)=O)cc2C1

CC(=N)N1CCC(C1)Oc1ccc(cc1)C(Cc1ccc2cc[n+](cc2c1)C(N)=N)C(O)=O

NC(=N)N1CCc2ccc(OCC3(CCN(CC3)c3ccncn3)C(O)=O)cc2C1

COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC[C@H]1CCC[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(=O)[C@@H](N)Cc2c[nH]c3ccccc23)C(=O)[C@@H](N)Cc2c[nH]c3ccccc23)C1=O)C(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)[C@@H](N)Cc1ccccc1

CC[C@H](C)[C@H](N)C(=O)[C@H](NC(=O)[C@@H](NC(=O)CC[C@H]1CCC[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(=O)[C@@H](N)Cc2c[nH]c3ccccc23)C(=O)[C@@H](N)Cc2c[nH]c3ccccc23)C1=O)C(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)OC

COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC[C@H]1CCC[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(=O)[C@@H](N)Cc2c[nH]c3ccccc23)C(=O)[C@@H](N)Cc2c[nH]c3ccccc23)C1=O)C(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)[C@@H](N)Cc1ccc(O)cc1

COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC[C@H]1CCC[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(=O)[C@@H](N)Cc2c[nH]c3ccccc23)C(=O)[C@@H](N)Cc2c[nH]c3ccccc23)C1=O)C(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)[C@@H](N)C(C)C

COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC[C@H]1CCC[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(=O)[C@@H](N)Cc2c[nH]c3ccccc23)C(=O)[C@@H](N)Cc2c[nH]c3ccccc23)C1=O)C(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)[C@@H](N)Cc1c[nH]c2ccccc12

COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC[C@H]1CCC[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(=O)[C@@H](N)Cc2c[nH]c3ccccc23)C(=O)[C@@H](N)Cc2c[nH]c3ccccc23)C1=O)C(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)[C@@H](N)CC(C)C

COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC[C@H]1CCC[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(=O)[C@@H](N)Cc2c[nH]c3ccccc23)C(=O)[C@@H](N)Cc2c[nH]c3ccccc23)C1=O)C(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)[C@H](C)N

NC(=N)c1ccc(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)s1 |c:12|

NC(=N)c1csc(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)n1 |c:12|

Cc1cc(CNC(=O)[C@@H]2C=CCN2C(=O)C(CC2CCCCC2)NCC(O)=O)sc1C(N)=N |c:9|

NC(=N)c1ccc(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cn1 |c:12|

NC(=N)c1coc(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)c1 |c:12|

c1cc(ccc1C(=O)N[C@H]2CCCC[C@H]2NC(=O)c3ccc4c(c3)[nH]cc4Cl)N5C=CC=CC5=O

Clc1ccc(s1)C(=O)N[C@@H]1CCC[C@@H]1NC(=O)c1ccc(cc1)C1(CN2CCCC2)CC1

c1cc(ccc1C(=O)N[C@H]2CCC[C@H]2NC(=O)c3ccc(s3)Cl)N4C=CC=CC4=O

Clc1ccc(s1)C(=O)N[C@@H]1CCC[C@@H]1NC(=O)c1ccc(cc1)N1CCCCC1=O

[#6]-[#8]-[#6](=O)-[#7]-[#6](-[#6]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7])P(=O)([#8]-c1ccc(-[#7]-[#6](-[#6])=O)cc1)[#8]-c1ccc(-[#7]-[#6](-[#6])=O)cc1

[#7]\[#6](-[#7])=[#7]\c1ccc(-[#6]-[#6](-[#7]-[#6](=O)-[#8]-[#6]-c2ccccc2)P(=O)([#8]-c2ccccc2)[#8]-c2ccccc2)cc1

[#6]-[#6](-[#6])-c1cc(-[#6](-[#6])-[#6])c(c(c1)-[#6](-[#6])-[#6])S(=O)(=O)[#7]-[#6](-[#6]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7])P(=O)([#8]-c1ccccc1)[#8]-c1ccccc1 |w:19.19|

[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6](-[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1)P(=O)([#8]-c1ccccc1)[#8]-c1ccccc1

[#6]-[#8]-[#6](=O)-[#7]-[#6](-[#6]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7])P(=O)([#8]-c1ccccc1)[#8]-c1ccccc1

NC(=N)c1ccc(cc1)C(NC(=O)OCc1ccccc1)P(=O)(Oc1ccccc1)Oc1ccccc1

NC(=N)c1ccc(CC(NC(=O)OCc2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1

[#7]\[#6](-[#7])=[#7]\c1ccc(-[#6]-[#6](-[#7]-[#6](=O)-c2ccccc2)P(=O)([#8]-c2ccccc2)[#8]-c2ccccc2)cc1 |w:9.9|

[#6]-[#6](=O)-[#7]-c1ccc(-[#8]P(=O)([#8]-c2ccc(-[#7]-[#6](-[#6])=O)cc2)[#6](-[#6]-c2ccc(cc2)\[#7]=[#6](\[#7])-[#7])-[#7]S([#6])(=O)=O)cc1

[#7]\[#6](-[#7])=[#7]\c1ccc(-[#6]-[#6](-[#7]S(=O)(=O)[#6]-c2ccccc2)P(=O)([#8]-c2ccccc2)[#8]-c2ccccc2)cc1 |w:9.9|

[#6]-[#6]-[#8]-[#6](=O)-[#7]-[#6](-[#6]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7])P(=O)([#8]-c1ccccc1)[#8]-c1ccccc1

[#7]\[#6](-[#7])=[#7]\c1ccc(-[#6]-[#6](-[#7]S(=O)(=O)c2cccc3ccccc23)P(=O)([#8]-c2ccccc2)[#8]-c2ccccc2)cc1 |w:9.9|

[#6]S(=O)(=O)[#7]-[#6](-[#6]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7])P(=O)([#8]-c1ccccc1)[#8]-c1ccccc1 |w:5.4|

[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#8])-[#7]S(=O)(=O)[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7]

NC(=N)c1ccc(CCC(NC(=O)OCc2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1

[#6]-[#6](=O)-[#7]-c1ccc(-[#8]P(=O)([#8]-c2ccc(-[#7]-[#6](-[#6])=O)cc2)[#6](-[#6]-c2ccc(cc2)\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#8]-[#6]-c2ccccc2)cc1

[#6]-[#6](=O)-[#7]-[#6](-[#6]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7])P(=O)([#8]-c1ccccc1)[#8]-c1ccccc1 |w:4.3|

[#7]\[#6](-[#7])=[#7]\c1ccc(-[#6]-[#7]-[#6](=O)-[#8]-[#6]-c2ccccc2)cc1

COc1ccc(cc1)-n1nc(cc1C(=O)Cc1ccc(cc1F)-n1ccccc1=O)C(N)=O

CN(C)Cc1nccn1-c1ccc(NC(=O)c2cc(nn2-c2ccc3onc(N)c3c2)C(F)(F)F)c(F)c1

CN(C1CCN(CC1)c1ccnc(C)c1)C(=O)CCS(=O)(=O)c1ccc2cc(Cl)ccc2c1

[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H](-[#7]S(=O)(=O)[#6]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nc2ccccc2o1

OCc1cn2c(cccc2n1)N1CCN(CC1)C(=O)CCS(=O)(=O)c1ccc2cc(Cl)ccc2c1

COc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(OC)c2=O

COc1cc(c2c(c1)OC(=CC2=O)c3ccc(c(c3)O)O)O

COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](OC(=O)[C@@H](OC(=O)[C@H](C(C)C)N(C)C)C(C)C)C(C)C)[C@@H](C)O |r|

Cc1ncc2CN(C3CCN(CC3)C(=O)[C@H](O)CS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C(=O)n12 |r|

OCc1ncc2CN(C3CCN(CC3)C(=O)CCS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C(=O)n12

Nc1nc(NCC(O)=O)cnc1C(=N)NO

Nc1nc(NCC(=O)OCc2ccccc2)c(Cl)nc1C(=N)NO

Nc1nc(NCC(O)=O)c(Cl)nc1C(=N)NO

NC(=N)c1nc(Cl)c(NCC(=O)OCc2ccccc2)nc1N

NC(=N)c1nc(Cl)c(NCC(O)=O)nc1N

NC(=O)c1nc(Cl)c(NCC(=O)OCc2ccccc2)nc1N

NC(=N)NC(=O)c1nc(Cl)c(NCC(=O)OCc2ccccc2)nc1N

NC(=N)NC(=O)c1nc(Cl)c(NCC(O)=O)nc1N

NC(=N)c1ncc(NCC(O)=O)nc1N

NC(=N)NC(=O)c1ncc(NCC(O)=O)nc1N

[#7]\[#6](-[#7])=[#7]\[#6]-c1cccc(-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]-c2ccccc2)-[#7]S(=O)(=O)[#6]-c2cccc(c2)-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-c2ccc(cc2)-[#6](-[#7])=[#7])c1 |r|

NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(OCC=CCOc4ccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)cc4)cc3)cc1 |r|

NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3cn(CC4=CCC=C(Cn5cc(C[C@@H](NS(=O)(=O)Cc6ccccc6)C(=O)N2)nn5)N4O)nn3)cc1 |r,t:17,20|

CCCCCCCCNC(=O)[C@@H](Cc1ccc(OCc2ccncc2)cc1)NC(=O)[C@H]1CC[C@H](CN)CC1 |r,wU:11.28,33.35,wD:30.31,(18.44,-28.09,;19.77,-28.86,;21.11,-28.09,;22.44,-28.86,;23.77,-28.09,;25.11,-28.86,;26.44,-28.09,;27.77,-28.86,;29.11,-28.09,;30.44,-28.86,;30.44,-30.4,;31.78,-28.09,;31.78,-26.55,;30.44,-25.78,;30.45,-24.24,;29.11,-23.47,;27.78,-24.24,;26.44,-23.47,;25.11,-24.25,;23.78,-23.48,;23.78,-21.94,;22.45,-21.17,;21.11,-21.94,;21.12,-23.49,;22.45,-24.25,;27.78,-25.79,;29.12,-26.55,;33.11,-28.86,;34.44,-28.09,;34.44,-26.55,;35.78,-28.86,;35.77,-30.4,;37.09,-31.17,;38.43,-30.4,;39.76,-31.18,;39.75,-32.72,;38.43,-28.86,;37.1,-28.08,)|

OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC[C@H]1CCC[C@@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)C1=O |r|

[#6]-[#6@H]-1-[#6]-[#6@H](-[#7](-[#6]-1)-[#6](=O)-[#6@@H](-[#6]-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#8])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@H](-[#6]-[#8])-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7] |r|

CCN=CC(=O)N=S(C)(=O)c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1 |w:3.3|

CCN(CC)CC(=O)NS(=C)(=O)c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1

c1cc(ccc1CCN)S(=O)(=O)F

CCCCNC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)Cc1ccc2ccccc2c1)[C@@H](C)CC |r|

NCCCC[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)CCOCCOCCOCCOCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)P(=O)(Oc1ccccc1)Oc1ccccc1

CCOP(F)(=O)CCCCCCCCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12

NCCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)CCOCCOCCOCCOCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)P(=O)(Oc1ccccc1)Oc1ccccc1

NCCCC[C@H](NC(=O)c1ccc(F)c(F)c1)C(=O)c1noc(Cc2ccc(OCCc3ccc(Cl)c(Cl)c3)cc2)n1 |r|

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,)|

C1CC(CCN1)c1nnn[nH]1

O=c1cc(o[nH]1)C1CCNCC1

[#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]-2-[#6]-[#16]-[#6]-c3cc(-[#6]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c4ccc(-[#8])cc4)-[#7]-[#6]-1=O)-[#6](=O)-[#7]-[#6]-[#6](-[#8])=O)cc(-[#6]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-2)c3 |r|

[#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]-2-[#6]-[#16]-[#6]-c3cc(-[#6]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#8])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-4-[#6]-[#6]-[#6]-[#6@H]-4-[#6](=O)-[#7]-2)cc(-[#6]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6]-1=O)-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O)c3 |r|

[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#16])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#16])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#16])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r|

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CS)NC(=O)CN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(O)=O |r,wU:43.52,21.21,4.4,73.75,91.94,wD:53.58,28.37,15.18,8.7,64.66,85.88,(34.21,-17.42,;34.19,-18.94,;35.53,-19.73,;32.84,-19.7,;32.82,-21.23,;31.48,-21.98,;30.16,-21.2,;30.17,-19.66,;28.82,-21.95,;28.87,-23.49,;27.22,-23.79,;26.43,-22.32,;27.57,-21.09,;27.4,-19.56,;28.64,-18.65,;25.99,-18.95,;24.75,-19.86,;23.34,-19.25,;25.82,-17.42,;24.41,-16.81,;23.17,-17.71,;24.16,-15.28,;25.41,-14.36,;24.62,-12.88,;22.97,-13.17,;22.73,-14.83,;21.43,-15.65,;21.48,-17.19,;20.07,-14.93,;18.76,-15.75,;18.81,-17.28,;17.51,-18.1,;17.57,-19.64,;16.26,-20.45,;14.9,-19.74,;16.31,-21.99,;20,-13.39,;18.65,-12.67,;18.59,-11.13,;17.35,-13.49,;15.98,-12.77,;14.68,-13.58,;14.73,-15.12,;13.32,-12.86,;13.27,-11.32,;14.57,-10.51,;14.68,-8.97,;16.16,-8.6,;16.98,-9.91,;15.99,-11.08,;12.01,-13.68,;10.66,-12.96,;10.6,-11.42,;9.35,-13.77,;9.41,-15.31,;8.1,-16.13,;7.99,-13.05,;7.93,-11.52,;9.24,-10.7,;6.58,-10.79,;6.52,-9.25,;34.15,-22.02,;34.13,-23.57,;35.48,-21.28,;36.82,-22.07,;36.8,-23.62,;38.11,-24.4,;38.09,-25.96,;36.74,-26.72,;39.4,-26.73,;38.14,-21.32,;38.16,-19.8,;39.48,-22.11,;40.81,-21.37,;40.82,-19.85,;42.18,-19.08,;42.22,-17.57,;43.57,-16.83,;44.88,-17.63,;46.23,-16.87,;44.85,-19.16,;43.51,-19.9,;42.15,-22.16,;42.13,-23.72,;43.47,-21.42,;44.81,-22.21,;44.8,-23.78,;43.43,-24.53,;46.14,-21.47,;46.15,-19.95,;47.48,-22.26,;48.8,-21.51,;48.82,-20,;50.18,-19.24,;50.19,-17.72,;51.55,-16.95,;51.57,-15.43,;50.15,-22.31,;51.47,-21.57,;50.14,-23.88,)|

C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSCc3cc(CSC[C@H](NC(=O)[C@@H](N)CO)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N4CCC[C@H]4C(=O)N2)cc(CSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](CCCCN)C(O)=O)c3 |r|

[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#16])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#16])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#16])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#8])=O |r|

[#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#16])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#16])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#16])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#8])-[#6](-[#8])=O |r|

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)CN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r,wU:49.53,39.41,15.18,4.4,67.69,78.79,wD:44.46,28.37,21.21,8.7,60.61,61.64,72.73,(35.87,-21.17,;35.39,-22.64,;36.42,-23.78,;33.89,-22.96,;33.41,-24.43,;31.91,-24.74,;30.88,-23.61,;31.35,-22.14,;29.38,-23.93,;28.98,-25.42,;27.31,-25.23,;26.98,-23.59,;28.43,-22.76,;28.71,-21.25,;30.13,-20.65,;27.49,-20.32,;27.67,-18.79,;29.09,-18.19,;26.07,-20.92,;24.84,-19.99,;25.03,-18.46,;23.43,-20.59,;23.32,-22.14,;21.64,-22.27,;21.01,-20.72,;22.26,-19.63,;22.26,-18.08,;23.6,-17.31,;20.94,-17.31,;19.6,-18.08,;18.27,-17.31,;16.94,-18.07,;15.6,-17.3,;14.28,-18.06,;14.28,-19.59,;12.94,-17.29,;20.94,-15.78,;19.58,-15,;18.27,-15.75,;19.58,-13.48,;20.93,-12.7,;18.23,-12.71,;18.23,-11.16,;19.56,-10.39,;16.91,-10.39,;15.57,-11.17,;16.91,-8.84,;15.59,-8.08,;14.25,-8.85,;15.59,-6.53,;16.91,-5.77,;18.26,-6.54,;14.26,-5.77,;14.26,-4.23,;15.59,-3.46,;12.93,-3.46,;12.93,-1.91,;34.45,-25.56,;33.97,-27.03,;35.96,-25.24,;36.98,-26.38,;36.51,-27.85,;35,-28.17,;37.54,-28.99,;38.49,-26.06,;38.96,-24.6,;39.52,-27.2,;41.02,-26.88,;41.49,-25.42,;42.06,-28.03,;41.58,-29.49,;43.56,-27.7,;44.59,-28.85,;44.12,-30.31,;45.15,-31.45,;46.09,-28.52,;46.57,-27.06,;47.13,-29.67,;48.63,-29.34,;49.11,-27.88,;50.61,-27.56,;51.75,-28.58,;53.08,-27.81,;52.76,-26.32,;53.66,-25.07,;53.03,-23.67,;51.5,-23.51,;50.6,-24.75,;51.23,-26.16,;49.66,-30.49,;51.16,-30.17,;49.18,-31.95,)|

CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CS)NC(=O)CN)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(N)=O)C(O)=O |r,wU:57.71,41.50,34.34,13.17,4.4,88.91,wD:71.77,52.54,28.31,21.20,8.8,82.85,(43.75,-11.47,;44.15,-12.95,;45.63,-13.35,;43.06,-14.04,;43.46,-15.52,;42.37,-16.61,;40.89,-16.22,;40.49,-14.73,;39.79,-17.31,;40.19,-18.8,;38.31,-16.92,;37.22,-18.01,;37.62,-19.49,;35.73,-17.61,;35.33,-16.12,;36.42,-15.03,;36.02,-13.54,;37.91,-15.43,;34.65,-18.7,;33.16,-18.3,;32.76,-16.81,;32.07,-19.39,;32.55,-20.87,;31.05,-21.61,;29.88,-20.42,;30.64,-18.93,;30.05,-17.5,;30.99,-16.28,;28.52,-17.31,;27.59,-18.52,;26.07,-18.32,;27.94,-15.88,;26.41,-15.68,;25.47,-16.9,;25.82,-14.25,;26.84,-13.08,;25.73,-11.81,;24.19,-12.47,;24.33,-14.14,;23.24,-15.23,;23.64,-16.72,;21.75,-14.83,;21.35,-13.35,;19.86,-12.95,;19.46,-11.47,;17.97,-11.06,;17.57,-9.57,;18.66,-8.48,;16.08,-9.18,;20.66,-15.92,;19.17,-15.52,;18.77,-14.04,;18.08,-16.61,;18.49,-18.1,;16.6,-16.22,;15.51,-17.31,;15.91,-18.8,;14.03,-16.92,;13.62,-15.43,;14.71,-14.34,;16.23,-14.57,;16.92,-13.2,;15.84,-12.12,;15.91,-10.59,;14.63,-9.75,;13.26,-10.45,;13.18,-11.98,;14.47,-12.82,;12.94,-18.01,;11.45,-17.61,;11.04,-16.12,;10.36,-18.7,;10.76,-20.18,;12.25,-20.58,;8.87,-18.3,;7.78,-19.39,;8.18,-20.88,;6.3,-18.99,;5.21,-20.08,;44.95,-15.93,;45.35,-17.41,;46.04,-14.83,;47.53,-15.23,;47.92,-16.72,;49.41,-17.11,;48.61,-14.14,;48.21,-12.65,;50.1,-14.53,;51.19,-13.45,;50.79,-11.95,;51.88,-10.87,;51.48,-9.38,;49.99,-8.98,;52.56,-8.29,;52.67,-13.84,;53.76,-12.75,;53.08,-15.33,)|

[#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#16])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#16])-[#7]-[#6](=O)-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#16])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](-[#8])=O |r|

[#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#16])-[#7]-[#6](=O)-[#6]-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#16])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#16])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#8])=O |r|

[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#16])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#16])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#16])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7])-[#6@@H](-[#6])-[#8])-[#6](-[#8])=O |r|

NC(=N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](NCC(O)=O)C(c2ccccc2)c2ccccc2)s1 |r|

CCCC(NC(=O)C1N(CC11CCCCC1)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)NC1CC1 |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)C1CCCCC1)C(C)(C)C)C(=O)C(=O)NC1CC1 |r|

CC(C)(C)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CCC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C |r|

CC(C)(C)[C@@H]1NC(=O)OCC(C)(C)CCCCc2cccc3CN(Cc23)C(=O)O[C@@H]2C[C@H](N(C2)C1=O)C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1 |r|

CC(C)CC(=O)Nc1cc(cc(c1)-c1ccc(cc1C(O)=O)C(N)=O)C1CC(C)(c2ccccc2)c2cc(ccc2N1)C(N)=N

CN1CC(=O)N(Cc2cc3cnc(nc3n2C)C(=O)N[C@@H](CCCCN)C#N)C1=O |r|

Cn1c(CN2C(=O)CN(C2=O)c2ccc(F)cc2)cc2cnc(nc12)C(=O)N[C@@H](CCCCN)C#N |r|

COc1ccc(cc1)N1CC(=O)N(Cc2cc3cnc(nc3n2C)C(=O)N[C@@H](CCCCN)C#N)C1=O |r|

CCCc1ccc(cc1)N1CC(=O)N(Cc2cc3cnc(nc3n2C)C(=O)N[C@@H](CCCCN)C#N)C1=O |r|

Cn1c(CN2C(=O)CN(C2=O)c2ccc(cc2)S(N)(=O)=O)cc2cnc(nc12)C(=O)N[C@@H](CCCCN)C#N |r|

Cn1c(CN2C(=O)CN(C2=O)c2ccc(cc2)C(N)=O)cc2cnc(nc12)C(=O)N[C@@H](CCCCN)C#N |r|

Cn1c(CN2C(=O)CN(C2=O)c2ccc(cc2)C#N)cc2cnc(nc12)C(=O)N[C@@H](CCCCN)C#N |r|

Cn1c(CN2C(=O)CN(C2=O)c2cccc(c2)S(N)(=O)=O)cc2cnc(nc12)C(=O)N[C@@H](CCCCN)C#N |r|

Cn1c(CN2C(=O)CN(C2=O)c2cccc(c2)C(N)=O)cc2cnc(nc12)C(=O)N[C@@H](CCCCN)C#N |r|

Cn1c(CN2C(=O)CN(C2=O)c2cccc(c2)C#N)cc2cnc(nc12)C(=O)N[C@@H](CCCCN)C#N |r|

CC(=O)COc1ccc(cc1)N1CC(=O)N(Cc2cc3cnc(nc3n2C)C(=O)N[C@@H](CCCCN)C#N)C1=O |r|

Cn1c(CN2C(=O)CN(C2=O)c2ccc(OCC(N)=O)cc2)cc2cnc(nc12)C(=O)N[C@@H](CCCCN)C#N |r|

Cn1c(CN2C(=O)CN(C2=O)c2ccc(OCC#N)cc2)cc2cnc(nc12)C(=O)N[C@@H](CCCCN)C#N |r|

Cn1c(CN2C(=O)CN(C2=O)c2ccc(Oc3ccccc3)cc2)cc2cnc(nc12)C(=O)N[C@@H](CCCCN)C#N |r|

COc1ccc(Oc2ccc(cc2)N2CC(=O)N(Cc3cc4cnc(nc4n3C)C(=O)N[C@@H](CCCCN)C#N)C2=O)cc1 |r|

Cn1c(CN2C(=O)CN(C2=O)c2ccc(OCc3ccncc3)cc2)cc2cnc(nc12)C(=O)N[C@@H](CCCCN)C#N |r|

Cn1c(CN2C(=O)CN(C2=O)c2ccc(Oc3ccc4ncccc4c3)cc2)cc2cnc(nc12)C(=O)N[C@@H](CCCCN)C#N |r|

Cn1c(CN2C(=O)CN(C2=O)c2ccc(Oc3ccccc3C(N)=O)cc2)cc2cnc(nc12)C(=O)N[C@@H](CCCCN)C#N |r|

Cn1c(CN2C(=O)CN(C2=O)c2ccc(Oc3ccccc3)c(c2)C(N)=O)cc2cnc(nc12)C(=O)N[C@@H](CCCCN)C#N |r|

Cn1c(CN2C(=O)CN(C2=O)c2ccc(OCc3ccncc3)c(c2)C(N)=O)cc2cnc(nc12)C(=O)N[C@@H](CCCCN)C#N |r|

Cn1c(CN2CN(CC2=O)c2ccc(F)cc2)cc2cnc(nc12)C(=O)N[C@@H](CCCCN)C#N |r|

Cn1c(CN2CN(CC2=O)c2ccc(Oc3ccccc3)cc2)cc2cnc(nc12)C(=O)N[C@@H](CCCCN)C#N |r|

Cn1c(CN2CC(=O)N(CC2=O)c2ccc(Oc3ccccc3)cc2)cc2cnc(nc12)C(=O)N[C@@H](CCCCN)C#N |r|

[Br-].NC(=[NH2+])SCc1ccc(CS(=O)(=O)Oc2ccc(cc2)[N+]([O-])=O)cc1

NC(=[NH2+])c1ccc(cc1)[N+]([O-])=O

NC(=N)c1cccc(CO)c1

Cc1ccccc1C(N)=N

Cl.NC(=[NH2+])c1cccc(c1)[N+]([O-])=O

NC(=N)c1cccc(c1)C(O)=O

NC(=N)c1cccc(Cc2ccccc2)c1

Cl.NC(=N)c1cccc(N)c1

NC(=N)c1cccc(c1)-c1ccccc1

CN(C)c1cccc(c1)C(N)=N

COc1cccc(c1)C(N)=N

Cc1ccc(cc1C)C(N)=N

Cc1cc(C)cc(c1)C(N)=N

NC(=N)c1ccc(CC(=O)C(O)=O)cc1

NC(=N)c1cccc(OCCCOc2ccccc2)c1

NC(=N)c1cccc(CC(=O)C(O)=O)c1

NC(=N)c1cccc(c1)C(=N)Nc1cccc2ccccc12

[H]/N=C(\c1ccc(cc1)CO)/N

CN1CCC(CC1)c1cc(=O)[nH]o1

Cn1oc(cc1=O)C1CCNCC1

Cc1c(O)noc1C1CCNCC1

CC1(CCNCC1)c1cc(O)no1

C[C@@H]1C[C@@H](CCN1)c1cc(=O)[nH]o1 |r|

O=c1cc([nH]o1)C1CCNCC1

O=c1cc(o[nH]1)[C@@H]1CCN[C@H](Cc2ccccc2)C1 |r|

O=c1cc(o[nH]1)[C@H]1CCN[C@H](Cc2ccccc2)C1 |r|

O=c1cc(o[nH]1)[C@@H]1CCN[C@@H](Cc2ccccc2)C1 |r|

c1ccc(cc1)C[C@H]2C[C@H](CCN2)C3=CC(=O)NO3

CC(C)C[C@H]1C[C@H](CCN1)c1cc(=O)[nH]o1 |r|

CC(C)(C)C[C@H]1C[C@H](CCN1)c1cc(=O)[nH]o1 |r|

CC(C)(C)CC[C@H]1C[C@H](CCN1)c1cc(=O)[nH]o1 |r|

O=c1cc(o[nH]1)[C@H]1CCN[C@@H](CC2CCCCC2)C1 |r|

O=c1cc(o[nH]1)[C@H]1CCN[C@@H](CCc2ccccc2)C1 |r|

Fc1ccccc1C[C@H]1C[C@H](CCN1)c1cc(=O)[nH]o1 |r|

Fc1cccc(C[C@H]2C[C@H](CCN2)c2cc(=O)[nH]o2)c1 |r|

Fc1ccc(C[C@H]2C[C@H](CCN2)c2cc(=O)[nH]o2)cc1 |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,)|

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|

B1([C@H](CC[C@H](O1)CC(=O)O)NC(=O)Cc2cccs2)O

Cn1c(CN2C(=O)CN(C2=O)c2ccc(Oc3ccncc3)cc2)nc2ccc(cc12)C(=O)N[C@@H](CCCCN)C#N |r|

CCCn1c2cc(ccc2oc1=O)N1CC(=O)N(Cc2cc3cnc(nc3n2C)C(=O)N[C@@H](CCCCN)C#N)C1=O |r|

Cn1c(CN2C(=O)CN(C2=O)c2ccc(Oc3ccncc3)cc2)cc2cnc(nc12)C(=O)N[C@@H](CCCCN)C#N |r|

Cn1c(CN2C(=O)CN(C2=O)c2ccc3oc(=O)n(C)c3c2)cc2cnc(nc12)C(=O)N[C@@H](CCCCN)C#N |r|

Cn1c(CN2C(=O)CN(C2=O)c2ccc3oc(=O)n(Cc4ccncc4)c3c2)cc2cnc(nc12)C(=O)N[C@@H](CCCCN)C#N |r|

Cn1c(CN2C(=O)CN(C2=O)c2ccc(Oc3ccccc3)cc2)nc2cc(ccc12)C(=O)N[C@@H](CCCCN)C#N |r|

CC(C)Cn1c2cc(ccc2oc1=O)N1CC(=O)N(Cc2cc3cnc(nc3n2C)C(=O)N[C@@H](CCCCN)C#N)C1=O |r|

Cn1c(CN2C(=O)CN(C2=O)c2ccc3n(Cc4ccncc4)c(=O)oc3c2)cc2cnc(nc12)C(=O)N[C@@H](CCCCN)C#N |r|

Cn1c(CN2C(=O)CN(C2=O)c2ccc(Oc3ccccc3)cc2)nc2ccc(cc12)C(=O)N[C@@H](CCCCN)C#N |r|

NCCCC[C@H](NC(=O)c1nc2cc(CN3C(=O)CN(C3=O)c3ccc(F)cc3)ccc2o1)C#N |r|

Cn1c(CN2C(=O)CN(C2=O)c2ccc3n(C)c(=O)oc3c2)cc2cnc(nc12)C(=O)N[C@@H](CCCCN)C#N |r|

CC(C)Cn1c2ccc(cc2oc1=O)N1CC(=O)N(Cc2cc3cnc(nc3n2C)C(=O)N[C@@H](CCCCN)C#N)C1=O |r|

CCCn1c2ccc(cc2oc1=O)N1CC(=O)N(Cc2cc3cnc(nc3n2C)C(=O)N[C@@H](CCCCN)C#N)C1=O |r|

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,)|

[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@]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|

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(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(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(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(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(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(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(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(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,)|

CCCCCCNC(=O)[C@H](Cc1ccc(OCc2cccnc2)cc1)NC(=O)c1ccc(CN)cc1 |r|

CC(C)C[C@H](NC(=O)[C@H](N)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)Nc1ccc(cc1)[N+]([O-])=O |r|

CC[C@@H](C)[C@@H](N)C(=O)N[C@@H](Cc1ccc(OCc2cccc(OCc3ccncc3)c2)cc1)C(=O)N[C@@H](CCCCN)C#N |r|

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(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(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(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(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,)|

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(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(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(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,)|

COC(=O)Nc1ccc(cc1)c2ccnc(c2)[C@H](Cc3ccccc3)NC(=O)C4CCC(CC4)CN

COC(=O)Nc1ccc(cc1)-c1ccnc(c1)[C@H](Cc1ccccc1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r|

c1ccc(cc1)C[C@@H](c2cc(ccn2)c3ccc4c(c3)c(n[nH]4)O)NC(=O)C5CCC(CC5)CN

C[C@H]1COC(=O)Nc2ccc(c(CN(C)C(=O)[C@H](Nc3ccc4c(N)ncc(F)c4c3)c3ccc1c(C)c3)c2)S(=O)(=O)C1CC1 |r|

COC(=O)Nc1ccc(c(c1)[C@H]1CCCN1C(=O)[C@H](Nc1cc2C(=O)NCc2cc1F)c1ccc(OC)c(OC)c1)S(=O)(=O)C(C)C |r|

COC(=O)Nc1ccc(c(c1)[C@H]1CCCN1C(=O)[C@H](Nc1ccc2cc[nH]c(=O)c2c1)c1ccc(OC)c(OC)c1)S(=O)(=O)C(C)C |r|

Cc1nc(N)ccc1CNC(=O)c1cnn(Cc2ccc(Cn3cccn3)cc2)c1

Cc1nc(N)cc2OCCC\C=C\CCOc3cc(Cn4cccn4)ccc3Cn3cc(cn3)C(=O)NCc12 |t:11|

Cc1nc(N)cc2OCCC=CCCCOc3cc(Cn4cccn4)ccc3Cn3cc(cn3)C(=O)NCc12

Cc1nc(N)cc2OCC\C=C/CCCOc3cc(Cn4cccn4)ccc3Cn3cc(cn3)C(=O)NCc12 |c:10|

Cc1c2c(cc(n1)N)OCC/C=C/CCCOc3cc(ccc3Cn4cc(cn4)C(=O)NC2)Cn5cccn5

[#6]-[#6]-[#6](-[#6])-[#6](-[#7]-[#6](=O)-[#6](-[#8])-[#6]-c1ccc(-[#8])c(Cl)c1)-[#6](=O)-[#7]-1-[#6]-2-[#6]-[#6](-[#6]-[#6]-[#6]-2-[#6]-[#6]-1-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#8]S([#8])(=O)=O

NC(=N)N1CCC[C@H](NC(=O)C2CC3CCC(O)CC3N2C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](O)Cc2ccc(OS(O)(=O)=O)cc2)C1O

[#6]-[#6]-[#6](-[#6])-[#6](-[#7]-[#6](=O)-[#6](-[#8])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-1-[#6]-2-[#6]-[#6](-[#6]-[#6]-[#6]-2-[#6]-[#6]-1-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#8]S([#8])(=O)=O

COC(=O)Nc1ccc(cc1)-c1nc([nH]c1Cl)[C@H](Cc1ccccc1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r|

COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](C\C=C\CCC(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r,t:17|

COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCCCC(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r|