Compound Name

SMILES String

NC(=[NH2+])c1ccc2nc([nH]c2c1)-c1ccccc1O

COc1ccc(O)c(c1)-c1nc2ccc(cc2[nH]1)C(N)=[NH2+]

NC(=[NH2+])c1ccc2nc([nH]c2c1)-c1cc(ccc1O)[N+]([O-])=O

NC(=[NH2+])c1ccc2[nH]c(cc2c1)-c1ccccc1O

COc1ccccc1-c1nc2ccc(cc2[nH]1)C(N)=[NH2+]

NC(=[NH2+])c1ccc2nc([nH]c2c1)-c1ccc[nH]c1=O

NC(=[NH2+])c1ccc2nc([nH]c2c1)C(=O)N(O)Cc1cccc(Oc2ccccc2)c1

NC(=[NH2+])c1ccc2nc(NC(=O)Nc3ccccc3)[nH]c2c1

c1ccc(cc1)C(=[NH2+])N

NC(=[NH2+])c1ccc2nc([nH]c2c1)-c1ncccc1O

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

c1cc2c(cc(s2)C(=[NH2+])N)c(c1)I

c1ccc2c(c1)cc(s2)C(=[NH2+])N

c1cc2cc(sc2nc1)C(=[NH2+])N

NC(=[NH2+])c1ccc2nc([nH]c2c1)-c1cc(F)ccc1O

NC(=[NH2+])c1ccc2nc([nH]c2c1)-c1cccc(-c2ccccc2)c1[O-]

NC(=[NH2+])c1ccc2nc([nH]c2c1)-c1cc(ccc1[O-])[N+]([O-])=O

NC(=[NH2+])c1ccc2[nH]c(cc2c1)-c1ccccc1[O-]

Cc1cc(-c2cc3cc(ccc3[nH]2)C(N)=[NH2+])c([O-])c(c1)-c1ccccc1

Cc1cc(Br)c([O-])c(c1)-c1cc2cc(ccc2[nH]1)C(N)=[NH2+]

Cc1cc(Br)c([O-])c(c1)-c1nc2ccc(cc2[nH]1)C(N)=[NH2+]

Cc1cc(Cl)c([O-])c(c1)-c1cc2cc(ccc2[nH]1)C(N)=[NH2+]

NC(=[NH2+])c1ccc2[nH]c(cc2c1)-c1cc(CC(O)=O)cc(Br)c1[O-]

NC(=[NH2+])c1ccc2nc([nH]c2c1)-c1cc(OC(F)(F)F)ccc1[O-]

NC(=[NH2+])c1ccc2[nH]c(cc2c1)-c1cccc(OC2CCCC2)c1[O-]

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

NC(=[NH2+])c1cc2cc([nH]c2cc1Cl)-c1cccc(OC2CCCC2)c1[O-]

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

NC(=[NH2+])c1ccc2[nH]c(cc2c1)-c1cc(Cl)cc(-c2ccccc2)c1[O-]

COc1cc(-c2cc3cc(C(N)=[NH2+])c(Cl)cc3[nH]2)c([O-])c(c1)-c1ccccc1

CN(C)C(=O)c1cc(-c2cc3cc(C(N)=[NH2+])c(Cl)cc3[nH]2)c([O-])c(c1)-c1ccccc1

CN(C)C(=O)c1cc(-c2cc3cc(C(N)=[NH2+])c(F)cc3[nH]2)c([O-])c(c1)-c1ccccc1

COc1cc(-c2cc3cc(ccc3[nH]2)C(N)=[NH2+])c([O-])c(c1)-c1ccccc1

CN(C)C(=O)c1cc(-c2cc3cc(ccc3[nH]2)C(N)=[NH2+])c([O-])c(c1)-c1ccccc1

NC(=[NH2+])c1ccc2[nH]c(cc2c1)-c1cc(cc(-c2ccccc2)c1[O-])[N+]([O-])=O

NC(=[NH2+])c1ccc2nc([nH]c2c1)-c1cc(cc(Br)c1[O-])[C@@H](CC([O-])=O)C([O-])=O |r|

NC(=[NH2+])c1ccc2nc([nH]c2c1)-c1cc(cc(-c2ccccc2)c1[O-])[C@@H](CC([O-])=O)C([O-])=O |r|

COc1ccccc1-c1cc(cc(-c2nc3ccc(cc3[nH]2)C(N)=[NH2+])c1[O-])[C@@H](CC([O-])=O)C([O-])=O |r|

NC(=[NH2+])c1ccc2nc([nH]c2c1)-c1cc(cc(c1[O-])-c1ccccc1F)[C@@H](CC([O-])=O)C([O-])=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|

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

NC(=N)Nc1ccc(cc1)C(F)(F)F

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

[#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]-1-[#6]-[#6]-[#8]-[#6]-[#6]-1

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

[#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]C([#6])([#6]-[#7]S(=O)(=O)c1ccc2c(Cl)cnc(\[#7]=[#6](/[#7])-[#7])c2c1)[#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@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]-[#6@H](-[#7](-[#6]-c1ccccc1)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]-1)-[#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|

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

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

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

[#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

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

[#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

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

CC(C)c1cc(c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc2cccc(c2)C(=N)N)C(=O)N3CCN(CC3)C(=O)CCN)C(C)C

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

[#7]\[#6](-[#7])=[#7]\c1ccc(-[#6]-[#7]-[#6](=O)-[#7]C23[#6]-[#6]-4-[#6]-[#6](-[#6]-[#6](-[#6]-4)-[#6]2)-[#6]3)cc1 |TLB:22:13:20:17.16.18,THB:22:17:20:14.21.13,18:17:14:21.20.19,18:19:14:17.16.22,12:13:20:17.16.18|

[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

Fc1ccc(cc1)C(=O)n1cc(Cl)cn1

COC(=O)c1ccnn1C(=O)c1ccc(Cl)cc1

[O-][N+](=O)c1cccc(c1)C(=O)n1cc(Cl)cn1

Cc1ccc(C(=O)c2ccn(n2)C(=O)c2ccc(F)cc2)c(C)c1

[O-][N+](=O)c1cnn(c1)C(=O)c1ccccc1

O=C(Nc1ccccc1)c1ccn(n1)C(=O)c1ccccc1

Cc1ccc(cc1)C(=O)n1cc(Br)cn1

Clc1ccc(cc1Cl)C(=O)n1cccn1

Cc1cc(nn1C(=O)c1ccccc1F)[N+]([O-])=O

Fc1cccc(F)c1C(=O)n1cc(Br)cn1

COc1cc(cc(OC)c1OC)C(=O)n1ccc(C)n1

Cc1ccc(cc1)C(=O)n1ccc(n1)[N+]([O-])=O

[O-][N+](=O)c1ccn(n1)C(=O)c1ccccc1

Cc1ccccc1C(=O)n1cc(cn1)[N+]([O-])=O

Cc1ccccc1C(=O)n1cc(Cl)cn1

Cc1cccc(c1)C(=O)n1cc(Br)cn1

Cc1ccccc1C(=O)n1cc(Br)cn1

CC(=O)Nc1ccc(cc1)C(=O)n1ccc(C)n1

Clc1cnn(c1)C(=O)c1ccccc1Cl

Cc1ccccc1C(=O)n1cccn1

Fc1cc(Cl)c(cc1F)C(=O)n1cc(Br)cn1

CC(C)(C)c1ccc(cc1)C(=O)n1cc(Cl)cn1

Cc1nn(C(=O)c2ccccc2F)c(C)c1Cl

Cc1nn(C(=O)c2ccc(Cl)cc2)c(C)c1Cl

COc1ccc(cc1)C(=O)n1nc(C)c(Br)c1C

Brc1ccccc1C(=O)n1cccn1

COc1cc(cc(OC)c1OC)C(=O)n1nc(C)c(C)c1C

[#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|

Clc1c(OCCBr)oc(=O)c2cc(ccc12)N(=O)=O

Clc1c(OCCCBr)oc(=O)c2cc(ccc12)N(=O)=O

Clc1c(OCCBr)oc(=O)c2ccccc12

Clc1c(OCCCBr)oc(=O)c2ccccc12

Clc1c(OCCCCBr)oc(=O)c2ccccc12

NC(=N)SCCOc1oc(=O)c2ccccc2c1Cl

NC(=N)SCCCOc1oc(=O)c2ccccc2c1Cl

NC(=N)SCCCCOc1oc(=O)c2ccccc2c1Cl

Nc1ccc2c(Cl)c(OCCBr)oc(=O)c2c1

NC(=N)SCCOc1oc(=O)c2cc(N)ccc2c1Cl

NC(=N)SCCCOc1oc(=O)c2cc(N)ccc2c1Cl

Clc1c(OCCBr)oc(=O)c2cc(NC(=O)c3ccccc3)ccc12

Clc1c(OCCCBr)oc(=O)c2cc(NC(=O)c3ccccc3)ccc12

NC(=N)SCCOc1oc(=O)c2cc(NC(=O)c3ccccc3)ccc2c1Cl

NC(=N)SCCCOc1oc(=O)c2cc(NC(=O)c3ccccc3)ccc2c1Cl

BrCCOc1cc2ccc(cc2c(=O)o1)N(=O)=O

BrCCCOc1cc2ccc(cc2c(=O)o1)N(=O)=O

FC(F)(F)C(=O)c1c(OCCCBr)oc(=O)c2ccccc12

Nc1ccc2c(Cl)c(OCCCBr)oc(=O)c2c1

Nc1ccc2cc(OCCBr)oc(=O)c2c1

CN(CC#C)C(=O)c1ccc2ccc(N)nc2c1

c1ccc2cnc(cc2c1)N

CS(=O)(=O)Nc1cc(CCc2ccccc2)cc2ccc(cc12)C(N)=N

CN1CCc2ccc(cc2C1c1cccnc1)C1CC1c1ccc2cc(ccc2c1)C(N)=N

[H]/N=C(/c1ccc2cc(ccc2c1)/C=C/c3cccc(c3)CCO)\N

NC(=N)c1ccc2cc(\C=C\CCc3cccnc3)cc(Br)c2c1

COC\C=C\c1cc(cc2ccc(cc12)C(N)=N)C1CC1c1ccc2CCN(C)C(C(C)C)c2c1

Nc1ccc2nc(N)ccc2c1

CS(=O)(=O)n1cc(cn1)-c1cc(cc2ccc(cc12)C(N)=N)C(=O)Nc1ccccc1

NC(=N)NC(=O)c1nc(Cl)c(NCc2cc(Cl)cc(Cl)c2)nc1N

CC(C)Oc1ccc2cc(ccc2c1)C(N)=N

COc1ccc2ccc(cc2c1-c1cnn(c1)S(C)(=O)=O)C(N)=N

NC(=N)NC(=O)c1ccc(Cl)c(c1)S(N)(=O)=O

[H]/N=C(/c1ccc2cc(ccc2c1)C(=O)Nc3ccc(cc3)CN)N

CN1CCc2ccc(cc2C1C1CCC1)C1CC1c1ccc2cc(ccc2c1)C(N)=N

COC(=O)Nc1cc(cc2ccc(cc12)C(N)=N)C(=O)Nc1ccc(CN)cc1

CC(C)CN(CC(C)C)C(=O)c1ccc2ccc(N)nc2c1

NC(=N)c1ccc2cc(ccc2c1)C#Cc1cccc(OC2CCCC2)c1

CN1CCc2ccc(\C=C\c3ccc4cc(ccc4c3)C(N)=N)cc2C1C1CCCCC1

COc1cc2ccc(cc2c(OC)c1OC)C(N)=N

COc1ccc2ccc(cc2c1-c1cnn(c1)C(C)C)C(N)=N

[H]/N=C(/c1ccc2cc(ccc2c1)C#Cc3ccc4c(c3)CCNC4)\N

COC(=O)Nc1cc(cc2ccc(cc12)C(N)=N)C(=O)Nc1ccccc1

NC(=N)c1ccc2cc(ccc2c1)C(=O)Nc1ccc2CCN=C(C3CCCCC3)c2c1 |t:24|

COC(=O)Nc1ccc2nc(N)ccc2c1

CC(C)C1=NCCc2ccc(NC(=O)c3cc(Br)c4cc(ccc4c3)C(N)=N)cc12 |t:3|

NC(=N)c1ccc2cc(ccc2c1)C(=O)Nc1ccc2CCN=C(c3ccccc3)c2c1 |t:24|

COc1cc(NC(=O)c2ccc3cc(ccc3c2)C(N)=N)cc(OC(C)C)c1

Nc1ccc2cccc(NC(=O)NCC=C)c2n1

CN(CC#N)C(=O)c1ccc2ccc(N)nc2c1

COC(=O)Nc1ccc2nc(ccc2c1)C(N)=N

CC(C)C1N(C)CCc2ccc(cc12)C1CC1c1cc(\C=C\C2CC2)c2cc(ccc2c1)C(N)=N

[H]/N=C(/c1ccc2ccc(c(c2c1)OCC(=O)N)OC)\N

COc1cc(cc2ccc(cc12)C(N)=N)C1CC1c1ccc2CCN(C)C(C(C)C)c2c1

Nc1cnc2ccccc2n1

CCOc1cc(OCC)c(\C=C\c2cc(Br)c3cc(ccc3c2)C(N)=N)cc1OCC

[H]/N=C(/c1ccc2cc(ccc2c1)C(=O)Nc3ccccc3)N

NC(=N)c1ccc2cc(NS(=O)(=O)c3ccccc3)ccc2c1

NC(=N)c1ccc2cc(cc(-c3ncccn3)c2c1)C(=O)Nc1ccccc1

[H]/N=C(\c1ccc2cccc(c2c1)NC(=O)OC)/N

[H]/N=C(\c1ccc2cccc(c2c1)N)/N

[H]/N=C(/c1ccc2ccc(c(c2c1)OCCCBr)OC)\N

[H]/N=C(c1ccc2ccccc2c1)/N

[H]/N=C(/c1ccc2cc(ccc2c1)NC(=O)Nc3ccccc3)\N

Nc1ccc2cccc(OCCC(C#N)(c3ccccc3)c3ccccc3)c2n1

NC(=N)c1ccc2cc(ccc2c1)C1OC1c1ccccc1

Oc1cc(cc(O)c1O)C(=O)Oc1cc(cc(O)c1O)C(=O)OCC1OC(OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)C(OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)C(OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)C1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1

Oc1cc(cc(O)c1O)C(=O)OCCOC(=O)c1cc(O)c(O)c(O)c1

Oc1cc(cc(O)c1O)C(=O)O[C@@H]1CCCC[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1

Oc1cc(cc(O)c1O)C(=O)O[C@@H]1CCCC[C@H]1OC(=O)c1cc(O)c(O)c(O)c1

Oc1cc(cc(O)c1O)C(=O)Oc1ccccc1OC(=O)c1cc(O)c(O)c(O)c1

Oc1cc(cc(O)c1O)C(=O)OC[C@H]1OC(OC(=O)c2cc(O)c(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1 |r,w:15.16|

Oc1cc(cc(O)c1O)C(=O)OCC(COC(=O)c1cc(O)c(O)c(O)c1)OC(=O)c1cc(O)c(O)c(O)c1

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)NCCCCCCCN |r|

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

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

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(Oc4cc(cc(c4C3=O)O)O)c5ccc(c(c5)O)O)O)O)O)O)O)O

CCCC(=O)OC1C(C)OC(OCC2OC(Oc3c(oc4cc(O)cc(O)c4c3=O)-c3ccc(O)c(O)c3)C(O)C(O)C2O)C(O)C1O

CCCCCC(=O)OC1C(C)OC(OCC2OC(Oc3c(oc4cc(O)cc(O)c4c3=O)-c3ccc(O)c(O)c3)C(O)C(O)C2O)C(O)C1O

CCCCCCCC(=O)OC1C(C)OC(OCC2OC(Oc3c(oc4cc(O)cc(O)c4c3=O)-c3ccc(O)c(O)c3)C(O)C(O)C2O)C(O)C1O

CCCCCCCCCCCC(=O)OC1C(C)OC(OCC2OC(Oc3c(oc4cc(O)cc(O)c4c3=O)-c3ccc(O)c(O)c3)C(O)C(O)C2O)C(O)C1O

CCCCCCCCCCCCCC(=O)OC1C(C)OC(OCC2OC(Oc3c(oc4cc(O)cc(O)c4c3=O)-c3ccc(O)c(O)c3)C(O)C(O)C2O)C(O)C1O

CCCCCCCCCCCCCCCC(=O)OC1C(C)OC(OCC2OC(Oc3c(oc4cc(O)cc(O)c4c3=O)-c3ccc(O)c(O)c3)C(O)C(O)C2O)C(O)C1O

CCCCCCCCCCCCCCCCCC(=O)OC1C(C)OC(OCC2OC(Oc3c(oc4cc(O)cc(O)c4c3=O)-c3ccc(O)c(O)c3)C(O)C(O)C2O)C(O)C1O

CCCCCCCC\C=C/CCCCCCCC(=O)OC1C(C)OC(OCC2OC(Oc3c(oc4cc(O)cc(O)c4c3=O)-c3ccc(O)c(O)c3)C(O)C(O)C2O)C(O)C1O

CCCC\C=C/C\C=C/CCCCCCCC(=O)OC1C(C)OC(OCC2OC(Oc3c(oc4cc(O)cc(O)c4c3=O)-c3ccc(O)c(O)c3)C(O)C(O)C2O)C(O)C1O

CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OC1C(C)OC(OCC2OC(Oc3c(oc4cc(O)cc(O)c4c3=O)-c3ccc(O)c(O)c3)C(O)C(O)C2O)C(O)C1O

CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC1C(C)OC(OCC2OC(Oc3c(oc4cc(O)cc(O)c4c3=O)-c3ccc(O)c(O)c3)C(O)C(O)C2O)C(O)C1O

CCCCCCCC\C=C/CCCCCCCCCC(=O)OC1C(C)OC(OCC2OC(Oc3c(oc4cc(O)cc(O)c4c3=O)-c3ccc(O)c(O)c3)C(O)C(O)C2O)C(O)C1O

OCC1OC(Oc2cc(O)cc(O)c2C(=O)CCc2ccc(O)cc2)C(O)C(O)C1O

CCCCCCCCCCCC(=O)OCC1OC(Oc2cc(O)cc(O)c2C(=O)CCc2ccc(O)cc2)C(O)C(O)C1O

CCCCCCCCCCCCCC(=O)OCC1OC(Oc2cc(O)cc(O)c2C(=O)CCc2ccc(O)cc2)C(O)C(O)C1O

CCCCCCCCCCCCCCCC(=O)OCC1OC(Oc2cc(O)cc(O)c2C(=O)CCc2ccc(O)cc2)C(O)C(O)C1O

CCCCCCCCCCCCCCCCCC(=O)OCC1OC(Oc2cc(O)cc(O)c2C(=O)CCc2ccc(O)cc2)C(O)C(O)C1O

OCC1OC(Oc2cc3ccc(=O)oc3cc2O)C(O)C(O)C1O

CCCCCCCCCCCC(=O)OCC1OC(Oc2cc3ccc(=O)oc3cc2O)C(O)C(O)C1O

CCCCCCCCCCCCCC(=O)OCC1OC(Oc2cc3ccc(=O)oc3cc2O)C(O)C(O)C1O

CCCCCCCCCCCCCCCC(=O)OCC1OC(Oc2cc3ccc(=O)oc3cc2O)C(O)C(O)C1O

CCCCCCCCCCCCCCCCCC(=O)OCC1OC(Oc2cc3ccc(=O)oc3cc2O)C(O)C(O)C1O

c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O

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

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|

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|

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

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

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

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

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

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

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|

CCCCC(NS(=O)(=O)c1ccc(C)cc1)C(=O)Nc1ccc(cc1)C(N)=N

CCCCC(NS(=O)(=O)c1ccc(C)cc1)C(=O)Nc1ccc(cc1F)C(N)=N

NC(=N)c1ccc(NC(=O)[C@H](NS(=O)(=O)c2ccc(Cl)cc2)C2CCCCC2)cc1 |r|

NC(=N)c1ccc(NC(=O)[C@H](NS(=O)(=O)c2ccc(F)cc2)C2CCCCC2)cc1 |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|

Cc1ccc(cc1)C(=O)N[C@H](C1CCCCC1)C(=O)Nc1ccc(cc1)C(N)=N |r|

Cc1ccc(NC(=O)N[C@H](C2CCCCC2)C(=O)Nc2ccc(cc2)C(N)=N)cc1 |r|

NC(=N)c1ccc(NC(=O)[C@H](NS(=O)(=O)c2ccc(cc2)C(F)(F)F)C2CCCCC2)cc1 |r|

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

Cc1ccc(cc1)S(=O)(=O)NC(CCc1ccccc1)C(=O)Nc1ccc(cc1)C(N)=N

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

CN(C)C(=O)N1CCN(CC1)C(=O)[C@@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1

NC(=N)c1ccc(\C=C2/CCCC\C(=C/c3ccc(cc3)C(N)=N)C2=O)cc1

Cc1ccc(cc1)S(=O)(=O)NCC(=O)N[C@@H](Cc2cccc(c2)C(=N)N)C(=O)OC

CC(C)CC(NS(=O)(=O)c1ccc(C)cc1)C(=O)Nc1ccc(cc1)C(N)=N

CCCCC(NS(=O)(=O)c1ccc(C)cc1)C(=O)Nc1ccc(Br)cc1

Cc1ccc(cc1)S(=O)(=O)NCC(Cc1ccccc1)C(=O)Nc1ccc(cc1)C(N)=N

Cc1ccc(cc1)S(=O)(=O)NC(C1CCCC1)C(=O)Nc1ccc(cc1)C(N)=N

Cc1ccc(cc1)S(=O)(=O)NC(CC(=O)Nc1ccc(cc1)C(N)=N)C1CCCCC1

CC(C)C(NS(=O)(=O)c1ccc(C)cc1)C(=O)Nc1ccc(cc1)C(N)=N

CC(C)CC(N(C)S(=O)(=O)c1ccc(C)cc1)C(=O)Nc1ccc(cc1)C(N)=N

Cc1ccc(cc1)S(=O)(=O)NC(C1CCOCC1)C(=O)Nc1ccc(cc1)C(N)=N

Cc1ccc(cc1)S(=O)(=O)N1CCCC1C(=O)Nc1ccc(cc1)C(N)=N

CCCCC(NS(=O)(=O)c1ccc(C)cc1)C(=O)Nc1cccc(c1)C(N)=N

Cc1ccc(cc1)S(=O)(=O)N[C@H](C1CCCCC1)C(=O)Nc1ccc(cc1)C(N)=N |r|

COc1ccc(cc1)S(=O)(=O)N[C@H](C1CCCCC1)C(=O)Nc1ccc(cc1)C(N)=N |r|

NC(=N)c1ccc(NC(=O)[C@H](NS(=O)(=O)c2ccccc2)C2CCCCC2)cc1 |r|

Cc1ccc(cc1)S(=O)(=O)NC(CC1CCCC1)C(=O)Nc1ccc(cc1)C(N)=N

Cc1ccc(cc1)S(=O)(=O)NC(C(=O)Nc1ccc(cc1)C(N)=N)c1ccccc1

COc1ccc(c(OC)n1)-c1nc(C(=O)NC(N)=N)c(N)nc1N1CCCCCC1

NC(=N)NC(=O)c1nc(-c2ccco2)c(nc1N)N1CCCCCC1

NC(=N)NC(=O)c1nc(c(nc1N)N1CCCCCC1)-c1cncc2ccccc12

NC(=N)NC(=O)c1nc(-c2ccsc2)c(nc1N)N1CCCCCC1

COc1cc(OC)cc(c1)-c1nc(C(=O)NC(N)=N)c(N)nc1N1CCCCCC1

NC(=N)NC(=O)c1nc(-c2cnc(NCCO)nc2)c(nc1N)N1CCCCCC1

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

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

c1cnc(nc1)Nc2cc(cc3c2cc(cc3)C(=N)N)C(=O)Nc4ccc(cc4)CN

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(-c2ccccc2)c(nc1N)N1CCCCCC1

CSc1ccc(cc1)-c1nc(C(=O)NC(N)=N)c(N)nc1N1CCCCCC1

NC(=N)NC(=O)c1nc(-c2ccc3OCOc3c2)c(nc1N)N1CCCCCC1

Cn1cc(cn1)-c1nc(C(=O)NC(N)=N)c(N)nc1N1CCCCCC1

NC(=N)NC(=O)c1nc(-c2cc3ccccc3[nH]2)c(nc1N)N1CCCCCC1

NC(=N)NC(=O)c1nc(-c2cccs2)c(nc1N)N1CCCCCC1

NC(=N)NC(=O)c1nc(c(nc1N)N1CCCCCC1)-c1cccnc1F

NC(=N)NC(=O)c1nc(-c2cncnc2)c(nc1N)N1CCCCCC1

COc1ccc(c(OC)c1)-c1nc(C(=O)NC(N)=N)c(N)nc1N1CCCCCC1

COc1cc(c(OC)nn1)-c1nc(C(=O)NC(N)=N)c(N)nc1N1CCCCCC1

CNc1ncc(cn1)-c1nc(C(=O)NC(N)=N)c(N)nc1N1CCCCCC1

CC(C)Nc1ncc(cn1)-c1nc(C(=O)NC(N)=N)c(N)nc1N1CCCCCC1

NC(=N)NC(=O)c1nc(Nc2ncccn2)c(nc1N)N1CCCCCC1

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

NC(=N)NC(=O)c1nc(-c2cc3ccccc3s2)c(nc1N)N1CCCCCC1

NC(=N)NC(=O)c1nc(-c2ccc(cc2)C(F)(F)F)c(nc1N)N1CCCCCC1

NC(=N)NC(=O)c1nc(-c2cnn(CCN3CCOCC3)c2)c(nc1N)N1CCCCCC1

NC(=N)NC(=O)c1nc(-c2ccoc2)c(nc1N)N1CCCCCC1

COc1ncc(c(OC)n1)-c1nc(C(=O)NC(N)=N)c(N)nc1N1CCCCCC1

NC(=N)NC(=O)c1nc(-c2cnc(N)nc2)c(nc1N)N1CCCCCC1

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|

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|

CC(C)(C)[C@@H](Oc1nc(Oc2cc(cc(c2)-c2cccc(CN)c2)C#N)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|

NCc1cccc(c1)-c1cccc(Oc2nc(OCC(O)=O)c(F)cc2F)c1

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|

CC[C@@H](Oc1nc(Oc2cc(C)cc(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)(C)[C@@H](Oc1nc(Oc2cccc(c2)-c2cccc(CN)c2)c(F)cc1F)C(O)=O |r|

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

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

Cn1ccc2cc(ccc12)C(N)=N

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

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

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

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

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

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

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

NC(=N)c1ccc(Cn2ccc3ccccc23)cc1

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

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

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

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

NC(=N)c1ccc2[nH]ccc2c1

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

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

NC(=N)c1ccc2n(Cc3ccccc3)ccc2c1

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

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

CCn1ccc2cc(ccc12)C(N)=N

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

COCCCC(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

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

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

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](NC(=O)OCc1ccccc1)C(c1ccccc1)c1ccccc1)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

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

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

[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](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](C)NC2=O)C(O)=O |r|

[H][C@@]12CCCN1C(=O)[C@@H](N)CSSC[C@@H](NC(=O)[C@H](CCCCNC(C)=O)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](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|

NC(=N)Nc1ccc(CNc2c(nc3ccccn23)C2CCNCC2)cc1

NCCOc1c(Cl)cc(Nc2cnc3ccccn23)cc1Cl

CCCCNC(=O)c1ccc2nc(c(NCc3ccc(NC(N)=N)cc3)n2c1)-c1cccnc1

NC(=N)Nc1ccc(CNc2c(nc3ccc(cn23)C(F)(F)F)-c2cccnc2)cc1

Cc1ccc2nc(c(NCc3ccc(NC(N)=N)cc3)n2c1)-c1cccnc1

CCCCNC(=O)c1ccn2c(NCc3ccc(NC(N)=N)cc3)c(nc2c1)-c1cccnc1

NC(=N)Nc1ccc(CNc2c(nc3ccccn23)-c2ccc(F)cc2)cc1

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

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

CCc1nc2ccccn2c1NCc1ccc(NC(N)=N)cc1

NCc1ccc(Nc2cnc3ccccn23)cc1

NCCOc1ccc(Nc2cnc3ccccn23)cc1

NC(=N)Nc1ccc(CCNc2cnc3ccccn23)cc1

NC(=N)Nc1ccc(CNc2cnc3ccccn23)cc1

NC(=N)Nc1ccc(CNc2cnc3cc(ccn23)C(=O)NCc2cccc(F)c2)cc1

NC(=N)Nc1ccc(CNc2cnc3cc(ccn23)C(=O)NC2CCCC2)cc1

COC(=O)c1ccn2c(NCc3ccc(NC(N)=N)cc3)c(nc2c1)-c1cccnc1

CN1CCN(CCNC(=O)c2ccn3c(NCc4ccc(NC(N)=N)cc4)cnc3c2)CC1

NC(=N)Nc1ccc(CNc2c(nc3cc(ccn23)C(O)=O)-c2cccnc2)cc1

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

CCc1ccc(cc1)-c1nc2ccccn2c1NCc1ccc(NC(N)=N)cc1

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

NC(=N)Nc1ccc(CNc2cnc3cc(ccn23)C(=O)NC2CC2)cc1

Cc1cccn2c(NCc3ccc(NC(N)=N)cc3)c(nc12)-c1cccnc1

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

NC(=N)Nc1ccc(CNc2c(Cc3cccc(Cl)c3)nc3ccccn23)cc1

NC(=N)Nc1ccc(CNc2c(nc3ccccn23)-c2cccnc2)cc1

NC(=N)NCCCCNc1cnc2ccccn12

NC(=N)Nc1ccc(CNc2c(nc3ccc(cn23)C(N)=O)-c2cccnc2)cc1

NC(=N)Nc1ccc(CNc2cnc3cc(ccn23)C(=O)NCCO)cc1

NC(=N)Nc1ccc(CNc2c(nc3ccccn23)-c2ccccc2)cc1

NC[C@H]1CC[C@@H](CC1)Nc1cnc2ccccn12 |r,wU:5.8,wD:2.1,(8.67,-5.11,;8.28,-3.94,;6.77,-3.62,;6.28,-2.16,;4.77,-1.86,;3.75,-3.01,;4.24,-4.47,;5.75,-4.78,;2.24,-2.7,;1.76,-1.24,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)|

NC(=N)Nc1ccc(CNc2c(nc3ccccn23)-c2cc(Cl)cc(Cl)c2)cc1

NC(=N)Nc1ccc(CNc2c(Cc3ccccc3)nc3ccccn23)cc1

NC(=N)Nc1ccc(CNc2c(nc3ccc(F)cn23)-c2cccnc2)cc1

NC(=N)Nc1ccc(CCNc2c(nc3cnccn23)-c2cccc(Cl)c2)cc1

NC(=N)Nc1ccc(CNc2c(nc3ccccn23)-c2cccc(F)c2)cc1

NCc1nc2ccccn2c1NCc1ccc(NC(N)=N)cc1

Clc1ccc(OCCNc2cnc3ccccn23)c(Cl)c1

CCc1nc2ccccn2c1NCCc1ccc(NC(N)=N)cc1

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|

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(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|

Cn1c(CN2C(=O)CN(C2=O)c2ccc(F)cc2)nc2ccc(cc12)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|

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(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|

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

[H][C@@]12CC[C@@]3(C)C[C@@]1(C\C3=N/OCC1(C)COC1)CC[C@]1([H])[C@@](C)(CCC[C@@]21C)C(=O)OCC |r,THB:10:9:3.2.1:6|

[H][C@@]12CC[C@@]3(C)C[C@@]1(C\C3=N/OCc1ccsc1)CC[C@]1([H])[C@@](C)(CCC[C@@]21C)C(=O)OCC |r,THB:10:9:1.2.3:6|

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

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

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

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(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

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

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

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

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

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,)|

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

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

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

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

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

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

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

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

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

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](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](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|

CC1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1

CC(C)OC(=O)C(Cc1cccc(c1)C(N)N)NC(=O)CNS(=O)(=O)c1ccc2ccccc2c1

CC1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2C(=O)c3ccccc3C(=O)c2c1

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

COC(=O)C1CCCN(C1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1

[H]/N=C(/c1cccc(c1)C[C@@H](C(=O)N2CCC(CC2)C(=O)OC)NS(=O)(=O)c3ccc4ccccc4c3)\N

Cc1ccc(cc1)S(=O)(=O)NC(Cc1cccc(c1)C(N)N)C(=O)N1CCCCC1

CNC(=O)C(Cc1cccc(c1)C(N)N)NC(=O)CNS(=O)(=O)c1ccc2ccccc2c1

CC1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc(C)cc1

CC1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc2ccccc12

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)NCc1ccccc1

NC(N)c1ccc(CC(NC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)cc1

NC(=N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(CC2)c2ccccc2)c1

CCOC(=O)C1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1

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

[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)N2CCCCC2)c1

CC1CCN(CC1)C(=O)C(N)Cc1cccc(c1)C(N)=N

CC1CCCN(C1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1

NC(N)c1ccc(\C=C2/CCCC\C(=C/c3ccc(cc3)C(N)N)C2=O)cc1

c1ccc(cc1)C(=N)N

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

CC1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NC(=O)OC(C)(C)C

CC1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1c(C)cc(C)cc1C

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)OCc1ccccc1

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

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

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

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

NC(=N)c1ccc(NCc2nc(c[nH]2)-c2ccccc2)cc1OCc1cccnc1

N[C@H](CO)c1cccc(c1)-c1cccc(COc2ccccc2CC(O)=O)c1 |r|

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

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|

Cc1cccc2CC(OB(O)c12)c1ccc(C(N)=N)c(OCc2cccnc2)c1

NC(=N)c1ccc(cc1OCc1ccccc1Cl)C1Cc2ccccc2B(O)O1

NC(=N)c1ccc(cc1OCc1cccc(Cl)c1)C1Cc2ccccc2B(O)O1

NC(=N)c1ccc(CC2OB(O)c3cc(F)ccc23)cc1OCc1cccnc1

NC(=N)c1ccc(CC2OB(O)c3ccc(F)cc23)cc1OCc1cccnc1

Cc1ccc2B(O)OC(Cc3ccc(C(N)=N)c(OCc4cccnc4)c3)c2c1

COc1ccc2B(O)OC(Cc3ccc(C(N)=N)c(OCc4cccnc4)c3)c2c1

NC(=N)c1ccc(cc1OCc1cccnc1)[C@@H]1Cc2ccc(cc2B(O)O1)C(F)(F)F

NC(=N)c1ccc(CC2OB(O)c3ccccc23)cc1OCc1cccnc1

NC(=N)c1ccc(CC2OB(O)c3cc(ccc23)C(F)(F)F)cc1OCc1cccnc1

NC(=N)c1ccc(cc1OCc1cccnc1)C1Cc2cc(Cl)c(F)cc2B(O)O1

NC(=N)c1ccc(cc1OCc1cccnc1)C1Cc2ccc(cc2B(O)O1)C(F)(F)F

NC(=N)c1ccc(cc1OCc1cccnc1)C1Cc2ccccc2B(O)O1

NC(=N)c1ccc(cc1OCc1cccnc1)C1Cc2ccc(F)cc2B(O)O1

NC(=N)c1ccc(cc1OCc1cccnc1)[C@H]1Cc2ccc(cc2B(O)O1)C(F)(F)F

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

COC(=O)C1CCCCN1C(=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)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)N1CCOCC1

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

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)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)C1CCN(CC1)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

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

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

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

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

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)N1CCN(CC1)S(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)N1CCCC(C1)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)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)N1CCCCC1

NC(=N)NC(=O)c1nc(-c2cc3cc(F)ccc3o2)c(N)nc1N

COc1ncc(c(OC)n1)-c1nc(C(=O)NC(N)=N)c(N)nc1N

NC(=N)NC(=O)c1nc(c(N)nc1N)-c1ccc2occc2c1

COc1ccc2cc(oc2c1)-c1nc(C(=O)NC(N)=N)c(N)nc1N

NC(=N)NC(=O)c1nc(-c2cc3cc(ccc3o2)C#N)c(N)nc1N

NC(=N)NC(=O)c1nc(-c2cc3cc(Br)ccc3o2)c(N)nc1N

NC(=N)NC(=O)c1nc(-c2cc3cc(Cl)ccc3o2)c(N)nc1N

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

Cn1cc(cn1)-c1nc(C(=O)NC(N)=N)c(N)nc1N

NC(=N)NC(=O)c1nc(-c2ccco2)c(N)nc1N

NC(=N)NC(=O)c1nc(-c2cccs2)c(N)nc1N

COc1ccc(c(OC)n1)-c1nc(C(=O)NC(N)=N)c(N)nc1N

NC(=N)NC(=O)c1nc(c(N)nc1N)-c1ccc(cc1)C(F)(F)F

CSc1ccc(cc1)-c1nc(C(=O)NC(N)=N)c(N)nc1N

NC(=N)NC(=O)c1nc(c(N)nc1N)-c1cncnc1

NC(=N)NC(=O)c1nc(-c2cc3ccccc3s2)c(N)nc1N

NC(=N)NC(=O)c1nc(c(N)nc1N)-c1ccc2OCCc2c1

COc1ccc2oc(cc2c1)-c1nc(C(=O)NC(N)=N)c(N)nc1N

Cc1ccc2oc(cc2c1)-c1nc(C(=O)NC(N)=N)c(N)nc1N

NC(=N)NC(=O)c1nc(-c2ccoc2)c(N)nc1N

COc1ncc(cn1)-c1nc(C(=O)NC(N)=N)c(N)nc1N

NC(=N)NC(=O)c1nc(c(N)nc1N)-c1ccccc1

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|

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|

C[C@H](NC(=O)[C@@](C)(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)NS(=O)(=O)CCc1ccccc1)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

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

NC(=N)N1CCC[C@@H](NC(=O)[C@H]2CCCCN2C(=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

CC(O)[C@@H](NC(=O)OCc1ccccc1)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

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](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](Cc4c[nH]c5ccccc45)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N3)NC(=O)[C@@H](NC2=O)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@@H](N)CCCCN |r|

CC[C@H](C)[C@@H]1NC(=O)[C@H](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|

c1ccc2c(c1)[nH]c(n2)N

Cc1cccc2sc(cc12)C(N)=N

Nc1nc2ccc(O)cc2[nH]1

[#7]\[#6](-[#7])=[#7]\c1ccccc1

NC(=N)c1ccc(N)cc1

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

CSc1sc(cc1-c1csc(Nc2ccc(cc2)C2CCCCC2)n1)C(N)=N

CSc1sc(cc1-c1csc(Nc2cccc(OCC(N)=O)c2)n1)C(N)=N

CSc1sc(cc1-c1csc(Nc2ccccc2C(C)C)n1)C(N)=N

CSc1sc(cc1-c1csc(NCCN2CCCCC2)n1)C(N)=N

CSc1sc(cc1-c1csc(Nc2ccc(cc2)\N=N\c2ccccc2)n1)C(N)=N

CSc1sc(cc1-c1csc(Nc2ccc(Cc3ccccc3)cc2)n1)C(N)=N

Cc1sc(cc1-c1csc(Nc2ccccc2)n1)C(N)=N

CSc1sc(cc1-c1csc(N)n1)C(N)=N

CSc1sc(cc1-c1csc(Nc2cc(C)c(C)cc2C)n1)C(N)=N

COc1cc(Nc2nc(cs2)-c2cc(sc2C)C(N)=N)cc(OC)c1OC

NC(=N)c1cc2c(I)cccc2s1

CSc1sc(cc1-c1csc(Nc2ccc(cc2)N(C)C)n1)C(N)=N

COc1cc(Nc2nc(cs2)-c2cc(sc2SC)C(N)=N)cc(OC)c1OC

CSc1sc(cc1-c1csc(Nc2ccc(C)cc2Br)n1)C(N)=N

CSc1sc(cc1-c1csc(NCCCc2ccccc2)n1)C(N)=N

CSc1sc(cc1-c1csc(Nc2ccc(Oc3ccc(Cl)cc3)cc2)n1)C(N)=N

COc1cccc(Nc2nc(cs2)-c2cc(sc2SC)C(N)=N)c1

Cc1sc(cc1-c1csc(Nc2ccc(Oc3ccccc3)cc2)n1)C(N)=N

CSc1sc(cc1-c1csc(Nc2ccc3OCOc3c2)n1)C(N)=N

CSc1sc(cc1-c1csc(Nc2ccc(OCc3ccccc3)cc2)n1)C(N)=N

COc1ccc(OC)c(Nc2nc(cs2)-c2cc(sc2SC)C(N)=N)c1

CSc1sc(cc1-c1csc(Nc2ccccc2F)n1)C(N)=N

CSc1sc(cc1-c1csc(Nc2ccccc2Br)n1)C(N)=N

CSc1sc(cc1-c1csc(Nc2ccc(Cl)cc2C)n1)C(N)=N

CSc1sc(cc1-c1csc(NC(c2ccccc2)c2ccccc2)n1)C(N)=N

CSc1sc(cc1-c1csc(NCCN2CCOCC2)n1)C(N)=N

CSc1sc(cc1-c1csc(Nc2ccc(cc2)S(=O)(=O)N2CCCCC2)n1)C(N)=N

CSc1sc(cc1-c1csc(Nc2ccc(Oc3ccc(cn3)C(F)(F)F)cc2)n1)C(N)=N

COc1ccc(cc1)N1CCN(CC1)c1nc(cs1)-c1cc(sc1SC)C(N)=N

Cc1sc(cc1-c1csc(N)n1)C(N)=N

CSc1sc(cc1-c1csc(NCc2ccc(C)cc2)n1)C(N)=N

CSc1sc(cc1-c1csc(Nc2cccc3ccccc23)n1)C(N)=N

COc1cccc(c1)N1CCN(CC1)c1nc(cs1)-c1cc(sc1SC)C(N)=N

CSc1sc(cc1-c1csc(Nc2cccc(C)c2C)n1)C(N)=N

CSc1sc(cc1-c1csc(Nc2ccc(Oc3ccccc3)cc2)n1)C(N)=N

COc1ccc(Nc2nc(cs2)-c2cc(sc2SC)C(N)=N)cc1

CSc1sc(cc1-c1csc(n1)N1CCN(CC1)c1ccccc1F)C(N)=N

CSc1sc(cc1-c1csc(Nc2cccc(Cl)c2C)n1)C(N)=N

NC(=N)c1ccc(CS)s1

CSc1sc(cc1-c1csc(Nc2ccccc2)n1)C(N)=N

CSc1sc(cc1-c1csc(Nc2ccccc2Cl)n1)C(N)=N

CSc1sc(cc1-c1csc(Nc2c(Cl)cccc2Cl)n1)C(N)=N

CSc1sc(cc1-c1csc(Nc2ccc(Nc3ccccc3)cc2)n1)C(N)=N

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|

NC(=N)c1ccc(OCCCCCCOc2ccc(cc2I)C(N)=N)cc1

NC(=N)c1ccc(Oc2ccc(Oc3ccc(cc3)C(N)=N)cc2)cc1

NC(=N)c1ccc(OCCCOc2ccc(cc2Br)C(N)=N)c(Br)c1

c1cc(ccc1C(=N)N)OCCCCCCOc2ccc(cc2)C(=N)N

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|

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

CSc1sc(cc1-c1nc(cs1)-c1ccc2OCCOc2c1)C(N)=N

COc1ccccc1-c1csc(n1)-c1cc(sc1SC)C(N)=N

CSc1sc(cc1-c1nc(cs1)-c1ccc(C)cc1)C(N)=N

CSc1sc(cc1-c1nc(cs1)-c1ccc(Cl)cc1)C(N)=N

CSc1sc(cc1-c1nc(cs1)-c1ccc(cc1)-c1ccccc1)C(N)=N

CSc1sc(cc1-c1nc(cs1)-c1ccc(NS(C)(=O)=O)cc1)C(N)=N

COc1ccc(cc1)-c1csc(n1)-c1cc(sc1SC)C(N)=N

CSc1sc(cc1-c1nc(cs1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(C)cc1)C(N)=N

CSc1sc(cc1-c1cccc(n1)-c1ccccc1)C(N)=N

CSc1sc(cc1-c1nc(cs1)-c1ccccc1C)C(N)=N

CSc1sc(cc1-c1nc(Cc2ccccc2)cs1)C(N)=N

CSc1sc(cc1-c1cccc(c1)-c1ccccc1)C(N)=N

CSc1sc(cc1-c1nc(cs1)-c1ccc2OCCCOc2c1)C(N)=N

CSc1sc(cc1-c1nc(cs1)-c1ccnc(Cl)c1)C(N)=N

COc1ccc(-c2csc(n2)-c2cc(sc2SC)C(N)=N)c(OC)c1

CSc1ccc(s1)C(N)=N

CSc1sc(cc1-c1nc(cs1)-c1ccc(Cl)cc1Cl)C(N)=N

CSc1sc(cc1-c1nc(cs1)-c1cnccc1Cl)C(N)=N

CSc1sc(cc1-c1nc(cs1)-c1ccc2CCCCc2c1)C(N)=N

CSc1sc(cc1-c1nc(cs1)-c1ccc(Cl)c(c1)[N+]([O-])=O)C(N)=N

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

CSc1sc(cc1-c1ccccc1)C(N)=N

CSc1sc(cc1-c1nc(cs1)-c1cccnc1Cl)C(N)=N

CSc1sc(cc1-c1nc(cs1)-c1ccccc1)C(N)=N

CSc1sc(cc1-c1nc(cs1)-c1cccc(NC(=O)c2ccc(F)cc2)c1)C(N)=N

CSc1sc(cc1-c1nc(c(C)s1)-c1ccccc1)C(N)=N

CSc1sc(cc1-c1nc(cs1)C1CCCCC1)C(N)=N

NC(=N)c1cc2c(\C=C\c3ccc4OCOc4c3)cccc2s1

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

CSc1sc(cc1-c1nc(cs1)-c1ccc(cc1)[N+]([O-])=O)C(N)=N

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

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

CSc1sc(cc1-c1nc(c(s1)-c1ccccc1)-c1ccccc1)C(N)=N

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

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

CSc1sc(cc1-c1nc(cs1)-c1cccs1)C(N)=N

CSc1sc(cc1-c1csc(n1)-c1ccccc1)C(N)=N

CSc1sc(cc1-c1nc(cs1)-c1ccc2ccccc2c1)C(N)=N

CSc1sc(cc1-c1nc(cs1)-c1ccc(O)c(C)c1)C(N)=N

CSc1sc(cc1-c1nc(cs1)-c1csc2ccccc12)C(N)=N

CSc1sc(cc1-c1nc(COc2ccccc2)cs1)C(N)=N

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

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

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

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

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

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

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

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

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

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

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

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

Cc1ccc(O)c(c1)-c1cc2cc(ccc2[nH]1)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(Cc2nnn[nH]2)cc(Br)c1O

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

Cc1cccc(-c2nc3ccc(cc3[nH]2)C(N)=N)c1O

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

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

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

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

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

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

NC(=N)c1ccc2nc([nH]c2c1)-c1ccccc1

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

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

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

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

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

COc1c(cccc1-c1ccccc1)-c1cc2cc(ccc2[nH]1)C(N)=N

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

NC(=N)c1ccc2nc([nH]c2c1)-c1ccccc1O

NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(c1)-c1ccccc1

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

Cc1ccc(O)c(c1)-c1nc2ccc(cc2[nH]1)C(N)=N

NC(=N)c1ccc2oc(cc2c1)-c1cccc(-c2ccccc2)c1O

COc1ccc(O)c(c1)-c1nc2ccc(cc2[nH]1)C(N)=N

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

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

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

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

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

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

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

NC(=N)c1ccc2nc([nH]c2c1)-c1cc(Cl)cc(-c2ccccc2)c1O

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

NC(=N)c1ccc2nc([nH]c2c1)-c1cc(Cl)cc(-c2cccc(N)c2)c1O

COc1cc2[nH]c(cc2cc1C(N)=N)-c1cccc(c1O)-c1ccccc1

Cc1cc2[nH]c(cc2cc1C(N)=N)-c1cccc(-c2ccccc2)c1O

NC(=N)c1cc2cc([nH]c2cc1O)-c1cccc(-c2ccccc2)c1O

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

NC(=N)c1ccc2[nH]c(cc2c1Cl)-c1cccc(-c2ccccc2)c1O

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

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

[#6]-c1c(Cl)cnc(\[#7]=[#6](\[#7])-[#7])c1Cl

[#7]\[#6](-[#7])=[#7]\c1ncc(Cl)cc1Cl

[#7]\[#6](-[#7])=[#7]/c1cc(ccn1)-c1ccccc1

[#7]\[#6](-[#7])=[#7]\c1ncccc1-[#8]

[#6]-c1cccnc1\[#7]=[#6](\[#7])-[#7]

[#6]-c1cccc(\[#7]=[#6](\[#7])-[#7])n1

[#6]-[#8]-c1cccnc1\[#7]=[#6](\[#7])-[#7]

[#7]\[#6](-[#7])=[#7]\c1ccc(Br)cn1

[#7]\[#6](-[#7])=[#7]\c1ncc(Cl)cc1Br

[#7]\[#6](-[#7])=[#7]\c1ncc(cc1Cl)C(F)(F)F

[#7]\[#6](-[#7])=[#7]\c1ccc(Cl)cn1

[#7]\[#6](-[#7])=[#7]\c1ccc(Cl)cc1

[#7]\[#6](-[#7])=[#7]\c1ccccn1

[#7]\[#6](-[#7])=[#7]\c1ncc(Br)cc1Cl

[#6]-c1ccc(\[#7]=[#6](\[#7])-[#7])nc1

[#6]-c1ccnc(c1)\[#7]=[#6](\[#7])-[#7]

[#7]\[#6](-[#7])=[#7]\c1ncccn1

[#6]-[#8]-c1ccnc(c1)\[#7]=[#6](\[#7])-[#7]

[#6]-[#8]-[#6]-[#6]-[#8]-c1cc(Cl)cnc1\[#7]=[#6](\[#7])-[#7]

[#7]\[#6](-[#7])=[#7]/c1ncc(Cl)cc1-[#8]-c1ccccc1

[#7]\[#6](-[#7])=[#7]\c1ncc(Cl)cc1C#Cc1ccccc1

[#7]\[#6](-[#7])=[#7]\c1ncc(Cl)cc1-[#6]=[#6]-c1ccc2-[#8]-[#6]-[#8]-c2c1 |w:12.13|

[#7]\[#6](-[#7])=[#7]/c1ncc(Cl)cc1-[#6]-[#6]-[#6](-[#8])=O

[#6]-[#8]-c1ccc(-[#6]=[#6]-c2cc(Cl)cnc2\[#7]=[#6](\[#7])-[#7])cc1 |w:6.5|

[#7]\[#6](-[#7])=[#7]/c1ncc(Cl)cc1-c1ccccc1

[#7]\[#6](-[#7])=[#7]\c1ncc(Cl)cc1-[#6]=[#6]-[#6](-[#8])=O |w:12.13|

[#7]\[#6](-[#7])=[#7]/c1ncc(Cl)cc1-[#8]-[#6]-c1ccccc1

[#7]\[#6](-[#7])=[#7]\c1ncc(Cl)cc1-[#6]=[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#8]-[#6]-[#6]-1 |w:12.13|

[#7]\[#6](-[#7])=[#7]\c1ncc(Cl)cc1-[#6]=[#6]-c1cccc(c1)-[#6](-[#8])=O |w:12.13|

[#7]\[#6](-[#7])=[#7]\c1ncc(Cl)cc1-[#6]=[#6]-c1ccccn1 |w:12.13|

[#6]-[#7]-[#6](=O)-[#6]=[#6]-c1cc(Cl)cnc1\[#7]=[#6](\[#7])-[#7] |w:4.3|

[#7]\[#6](-[#7])=[#7]\c1ncc(Cl)cc1-[#6]=[#6]-c1ccccc1 |w:12.13|

[#7]\[#6](-[#7])=[#7]\c1ncc(Cl)cc1-[#6]=[#6]-[#6](=O)-[#7]-[#6]-c1ccccc1 |w:12.13|

[#7]\[#6](-[#7])=[#7]/c1ncc(Cl)cc1-[#8]-[#6]-[#6](=O)-[#7]-[#6]-c1ccccc1

[#6]-[#7](-[#6]-c1ccccc1)-[#6](=O)-[#6]=[#6]-c1cc(Cl)cnc1\[#7]=[#6](\[#7])-[#7] |w:11.11|

[#7]\[#6](-[#7])=[#7]\c1ncc(Cl)cc1-[#6]=[#6]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1 |w:12.13|

[#7]\[#6](-[#7])=[#7]/c1ncc(Cl)cc1-[#8]-[#6]-[#6](-[#8])=O

COc1ccc(CSc2sc(cc2-c2nc(cs2)-c2ccccc2)C(N)=N)cc1

NC(=N)c1cc(cs1)-c1nc(cs1)-c1ccccc1

CS(=O)c1sc(cc1-c1nc(cs1)-c1ccc(Cl)cc1)C(N)=N

COc1ccc(cc1OC)-c1csc(n1)-c1cc(sc1C)C(N)=N

COc1ccc(cc1OC)-c1csc(n1)-c1cc(sc1SC)C(N)=N

CCc1sc(cc1-c1nc(cs1)-c1ccccc1)C(N)=N

COc1sc(cc1-c1nc(cs1)-c1ccccc1)C(N)=N

NC(=N)c1cc(c(SCc2ccccc2)s1)-c1nc(cs1)-c1ccc(Cl)cc1

Cc1sc(cc1-c1nc(cs1)-c1ccccc1)C(N)=N

CS(=O)(=O)c1sc(cc1-c1nc(cs1)-c1ccc(Cl)cc1)C(N)=N

CC(C)(C)OC(=O)N[C@H](CO)C(=O)NCC(=O)NCc1ccc(cc1)C(N)=N

N[C@@H](CCC(O)=O)C(=O)NCC(=O)NCc1ccc(cc1)C(N)=N |r|

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

CC(C)COC(=O)OC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)N[C@@H](C)C(=O)NCc1ccc(cc1)C(N)=N

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

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

CC(NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NCc1ccc(cc1)C(N)=N

OC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)NCC(=O)NCc1ccc(cc1)C(=N)NO

NC(=N)c1ccc(CNC(=O)[C@H]2CCCN2C(=O)[C@@H](CO)NS(=O)(=O)Cc2ccccc2)cc1

CC(=O)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)NCC(=O)NCc1ccc(cc1)C(N)=N

NC(=N)c1ccc(CNC(=O)CNC(=O)[C@@H](CO)NS(=O)(=O)c2ccc3ccccc3c2)cc1

COC(=O)OC[C@@H](NS(=O)(=O)Cc1ccccc1)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

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

NC(=N)c1ccc(CNC(=O)CNC(=O)[C@@H](CO)NC(=O)OCc2ccccc2)cc1

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)CCc2ccccc2)cc1

NC(=N)c1ccc(CNC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)cc1

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

CC(C)COc1cccc(-c2nc3cc(Cl)c(cc3[nH]2)C(N)=N)c1O

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

NC(=N)c1cc2[nH]c(nc2cc1Cl)-c1cccc(OC2CCCC2)c1O

CCOc1cccc(-c2nc3cc(F)c(cc3[nH]2)C(N)=N)c1O

C[C@H]1CCCC[C@@H]1Oc1cccc(-c2nc3cc(F)c(cc3[nH]2)C(N)=N)c1O

C[C@H]1CCC[C@@H]1Oc1cccc(-c2nc3cc(F)c(cc3[nH]2)C(N)=N)c1O

CCOc1cccc(-c2nc3ccc(cc3[nH]2)C(N)=N)c1O

CCOc1cccc(-c2nc3cc(Cl)c(cc3[nH]2)C(N)=N)c1O

C[C@@H]1CCCC[C@@H]1Oc1cccc(-c2nc3cc(F)c(cc3[nH]2)C(N)=N)c1O

CC(C)COc1cccc(-c2cc3cc(ccc3[nH]2)C(N)=N)c1O

NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(OC2CCCC2)c1O

NC(=N)c1cc2[nH]c(nc2cc1F)-c1cccc(OCC2CCCO2)c1O

NC(=N)c1cc2[nH]c(nc2cc1F)-c1cccc(OC2CCCC2)c1O

C[C@H]1CCC[C@@H](C1)Oc1cccc(-c2nc3cc(F)c(cc3[nH]2)C(N)=N)c1O

NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(Oc2ccccc2)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,)|

C[C@H]1CC(C)(C)C[C@@H]1Oc1cccc(-c2nc3cc(F)c(cc3[nH]2)C(N)=N)c1O

NC(=N)c1ccc2nc([nH]c2c1)-c1cccc(Oc2ccccc2)c1O

NC(=N)c1cc2[nH]c(nc2cc1F)-c1cccc(OC2CCNC2)c1O

CCOc1cccc(-c2cc3cc(ccc3[nH]2)C(N)=N)c1O

NC(=N)c1ccc2nc([nH]c2c1)-c1cccc(OC2CCCC2)c1O

NC(=N)c1cc2[nH]c(nc2cc1F)-c1cccc(OCC2CCCNC2)c1O

NC(=N)c1cc2[nH]c(nc2cc1F)-c1cccc(OC[C@H]2CCCN2)c1O

CC(C)COc1cccc(-c2nc3cc(F)c(cc3[nH]2)C(N)=N)c1O

NC(N)=Nc1ccc(NC(=O)c2ccc(Cl)cc2O)cc1

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

NC(N)=Nc1ccc(NC(=O)c2cc3cc4ccccc4cc3c(Br)c2O)cn1

NC(N)=Nc1ccc(NC(=O)c2cccc(Cl)c2O)cc1

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

Cc1cccc(C(=O)Nc2ccc(cc2)N=C(N)N)c1O

NC(=N)c1ccc(NC(=O)c2ccc(Cl)cc2O)cc1

Cc1ccc(O)c(c1)C(=O)Nc1ccc(cc1)N=C(N)N

NC(N)=Nc1ccc(NC(=O)c2cc(Br)ccc2O)cc1

NC(N)=Nc1ccc(NC(=O)c2cc3cc4ccccc4cc3cc2O)cc1

CCOc1ccc(C(=O)Nc2ccc(cc2)N=C(N)N)c(O)c1

CC(C)Oc1c(O)c(cc2cc3ccccc3cc12)C(=O)Nc1ccc(N=C(N)N)nc1

[#7]\[#6](-[#7])=[#7]/c1ccc(-[#7]-[#6](=O)-c2cccc(c2-[#8])-c2ccccc2)cc1

CC(C)Oc1c(O)c(cc2cc3ccccc3cc12)C(=O)Nc1ccc(cc1)N=C(N)N

Cc1cccc(C(=O)Nc2ccc(cc2)C(N)=N)c1O

COc1c(O)c(cc2cc3ccccc3cc12)C(=O)Nc1ccc(N=C(N)N)nc1

NC(N)=Nc1ccc(NC(=O)c2cc3cc4ccccc4cc3cc2O)cn1

Cc1ccc(O)c(c1)C(=O)Nc1ccc(cc1)C(N)=N

NC(=N)c1ccc(NC(=O)c2cc3cc4ccccc4cc3cc2O)cc1

COc1ccc(O)c(c1)C(=O)Nc1ccc(cc1)N=C(N)N

NC(=N)c1ccc(NC(=O)c2cc(Br)ccc2O)cc1

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

CCOc1ccc(C(=O)Nc2ccc(cc2)C(N)=N)c(O)c1

COc1c(O)c(cc2cc3ccccc3cc12)C(=O)Nc1ccc(cc1)N=C(N)N

COc1ccc(O)c(c1)C(=O)Nc1ccc(cc1)C(N)=N

NC(N)=Nc1ccc(NC(=O)c2ccccc2O)cc1

NC(=N)c1ccc(NC(=O)c2cccc(c2O)-c2ccccc2)cc1

NC(N)=Nc1ccc(NC(=O)c2cc3cc4ccccc4cc3c(I)c2O)cc1

NC(N)=Nc1ccc(NC(=O)c2cc3cc4ccccc4cc3c(I)c2O)cn1

NC([NH-])=[NH+]c1ccc(NC(=O)c2cc(ccc2O)[N+]([O-])=O)cc1

NC(=N)c1ccc(NC(=O)c2cc(ccc2O)[N+]([O-])=O)cc1

COc1cc(C)ccc1C(=O)N(C)c1ccc(cc1)N=C(N)N

NC(N)=Nc1ccc(NC(=O)c2cc3cc4ccccc4cc3c(Br)c2O)cc1

NC(=N)c1ccc(NC(=O)c2cccc(Cl)c2O)cc1

Cc1ccc(CN)cc1NC(=O)CN1CCCCC(NC(=O)c2ccc(cc2)-c2ccccc2)C1=O

NCc1cccc(NC(=O)CN2CCCCC(NC(=O)CC(c3ccccc3)c3ccccc3)C2=O)c1

NCc1ccc(Cl)c(NC(=O)CN2CCCCC(NC(=O)c3ccc(cc3)-c3ccccc3)C2=O)c1

NCc1cccc(NC(=O)CN2CCCCC(NC(=O)c3ccc(cc3)-c3ccccc3)C2=O)c1

NC(=N)c1ccc2cc(ccc2c1)C(=O)Cc1ccccc1

CC(C)CC1=NCCc2ccc(NC(=O)c3ccc4cc(ccc4c3)C(N)=N)cc12 |t:4|

CNC(=O)c1ccc2cc(ccc2c1)C(N)=N

NC(=N)c1ccc2cc(ccc2c1)C(=O)Nc1cccc(Oc2ccccc2)c1

CC(C)[C@H]1c2cc(ccc2CCN1)NC(=O)c3ccc4cc(ccc4c3)C(=N)N

O=C(Nc1ccc2cc(ccc2c1)C#N)c1ccccc1

CC[C@H]1CNCc2c1cc(cc2)NC(=O)c3ccc4cc(ccc4c3)C(=N)N

NC(=N)c1ccc2cc(ccc2c1)C(=O)Nc1ccc(CO)cc1

NC(=N)c1ccc2cc(ccc2c1)C(=O)Nc1ccc(cc1)C(N)=O

NC(=N)c1ccc2cc(ccc2c1)C(=O)Nc1ccc2CCNC(C3CCCC3)c2c1

CC(C)Oc1cc(NC(=O)c2ccc3cc(ccc3c2)C(N)=N)cc(OC(C)C)c1

CN(C(=O)c1ccc2cc(ccc2c1)C(N)=N)c1ccccc1

NC(=N)c1ccc2cc(ccc2c1)C(=O)Nc1ccc2CNCCc2c1

CC(C)Oc1cccc(NC(=O)c2ccc3cc(ccc3c2)C(N)=N)c1

COc1cc(NC(=O)c2ccc3cc(ccc3c2)C(N)=N)cc(OC)c1

CC(C)C1=NCCc2c1cc(cc2)NC(=O)c3ccc4cc(ccc4c3)C(=N)N

CC(C)CC1NCCc2ccc(NC(=O)c3ccc4cc(ccc4c3)C(N)=N)cc12

CCOc1cccc(NC(=O)c2ccc3cc(ccc3c2)C(N)=N)c1

CCc1ccc(NC(=O)c2ccc3cc(ccc3c2)C(N)=N)cc1

NC(=N)c1ccc2cc(ccc2c1)C(=O)Nc1ccc2CCN=C(C3CCCC3)c2c1 |t:24|

CC(C)Oc1cc(NC(=O)c2ccc3cc(ccc3c2)C(N)=N)cc(OC2CCCC2)c1

COc1cccc(NC(=O)c2ccc3cc(ccc3c2)C(N)=N)c1

CCC(CC)Oc1cccc(NC(=O)c2ccc3cc(ccc3c2)C(N)=N)c1

NC(=N)c1ccc2cc(ccc2c1)C(=O)Nc1cccc(CC2CCCC2)c1

[H]/N=C(/c1ccc2cc(ccc2c1)C(=O)Nc3cccc(c3)OC4CCCC4)N

CC(C)C(OC(=O)N1CCN(CC1)C(=O)N1[C@@H]([C@@H](CC2CCNCC2)C1=O)C(O)=O)C(C)C

OC(=O)[C@@H]1[C@@H](CCC2CCCNC2)C(=O)N1C(=O)N1CCN(CC1)C(=O)CCCCCc1ccccc1

C[C@H](NC(=O)[C@@H](CO)NC(=O)OCc1ccccc1)C(=O)NC(CCCNC(N)=N)P(=O)(Oc1ccccc1)Oc1ccccc1

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,)|

[#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

C[C@H](NC(=O)[C@@H](CO)NC(=O)OCc1ccccc1)C(=O)NC(CCCCNC(N)=N)P(=O)(Oc1ccccc1)Oc1ccccc1

C[C@H](NC(=O)[C@@H](CO)NC(=O)OCc1ccccc1)C(=O)NC(CCNC(N)=N)P(=O)(Oc1ccccc1)Oc1ccccc1

C[C@H](NC(=O)[C@@H](CO)NC(=O)OCc1ccccc1)C(=O)NC(c1ccc(CNC(N)=N)cc1)P(=O)(Oc1ccccc1)Oc1ccccc1

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

NC(=N)c1ccc2cc(cc(C3CCOC3)c2c1)C(=O)Nc1ccccc1

COc1ccc2ccc(cc2c1C1CCOC1)C(N)=N

COc1ccc2ccc(cc2c1-c1ccoc1)C(N)=N

CCSc1cc(co1)-c1cc(cc2ccc(cc12)C(N)=N)C(=O)Nc1ccccc1

NC(=N)c1ccc2cc(cc(-c3ccoc3)c2c1)C(=O)Nc1ccccc1

CCS(=O)(=O)c1cc(co1)-c1cc(cc2ccc(cc12)C(N)=N)C(=O)Nc1ccccc1

CCS(=O)(=O)c1cc(co1)-c1cc(cc2ccc(cc12)C(N)=N)C(=O)Nc1cccc(OC2CCCC2)c1

c1cc2ccc(cc2c(c1)Nc3ncccn3)C(=N)N

[H]/N=C(\c1ccc2cc(cc(c2c1)Nc3ncccn3)C(=O)Nc4ccccc4)/N

COc1ccc2ccc(cc2c1-c1ccco1)C(N)=N

COc1ccc2ccc(cc2c1-c1cn[nH]c1)C(N)=N

COc1ccc2ccc(cc2c1-c1cnn(C)c1)C(N)=N

CC(C)Oc1cccc(NC(=O)c2cc(C3CCOC3)c3cc(ccc3c2)C(N)=N)c1

[#7]\[#6](-[#7])=[#7]\c1nccc2cc(Br)ccc12

[#7]\[#6](-[#7])=[#7]/c1nccc2ccc(-[#6]-[#8])cc12

[#6]-[#8]-c1ccc2ccnc(\[#7]=[#6](/[#7])-[#7])c2c1

[#6]-[#8]-c1ccc(cc1-c1ccc2c(Cl)cnc(\[#7]=[#6](/[#7])-[#7])c2c1)C#N

[#7]\[#6](-[#7])=[#7]\c1nccc2c(-[#8]-[#6]-c3ccccc3)cccc12

[#6]-[#8]-c1ccc(cc1)-c1ccc2c(Cl)cnc(\[#7]=[#6](\[#7])-[#7])c2c1

[#7]\[#6](-[#7])=[#7]\c1ncc(Cl)c2ccc(cc12)-c1ccc(cc1)C#N

[#7]\[#6](-[#7])=[#7]\c1ncc(Cl)c2ccc(cc12)-c1ccccc1

[#6]-[#8]-c1ccc(cc1-c1ccc2c(Cl)cnc(\[#7]=[#6](/[#7])-[#7])c2c1)-[#6](-[#8])=O

[#6]-[#8]-c1cccc(c1)-c1ccc2c(Cl)cnc(\[#7]=[#6](/[#7])-[#7])c2c1

[#7]\[#6](-[#7])=[#7]/c1ncc(Br)c2ccccc12

[#6]-[#8]-c1ccccc1-c1ccc2c(Cl)cnc(\[#7]=[#6](/[#7])-[#7])c2c1

[#7]\[#6](-[#7])=[#7]\c1ncc(Cl)c2ccc(cc12)-c1ccc2-[#8]-[#6]-[#8]-c2c1

[#7]\[#6](-[#7])=[#7]/c1ncc(Cl)c2ccccc12

[#7]\[#6](-[#7])=[#7]/c1ncc(Cl)c2ccc(cc12)-c1cccc(c1)C#N

[#7]\[#6](-[#7])=[#7]/c1ncc(Cl)c2ccc(cc12)-c1ccc(cc1)-[#6](-[#8])=O

[#7]\[#6](-[#7])=[#7]/c1nccc2ccc(cc12)-c1ccc2-[#8]-[#6]-[#8]-c2c1

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

[#7]\[#6](-[#7])=[#7]/c1nccc2ccc(-[#8]-[#6]-c3ccccc3)cc12

[#7]\[#6](-[#7])=[#7]/c1nccc2ccc(cc12)-[#6](-[#8])=O

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

[#7]\[#6](-[#7])=[#7]\c1nccc2c(cccc12)-c1ccccc1

[#6]-c1ccc(cc1)-c1ccc2c(Cl)cnc(\[#7]=[#6](\[#7])-[#7])c2c1

[#7]\[#6](-[#7])=[#7]\c1cc2ccccc2cn1

[#7]\[#6](-[#7])=[#7]\c1ccc2ccccc2n1

[#7]\[#6](-[#7])=[#7]/c1nccc2ccccc12

[#6]-c1cnc(\[#7]=[#6](/[#7])-[#7])c2ccccc12

[#6]-[#6](-[#8])-c1ccc2ccnc(\[#7]=[#6](\[#7])-[#7])c2c1

[#7]\[#6](-[#7])=[#7]/c1nccc2c(Br)cccc12

[#6]-[#8]-c1cccc2c(\[#7]=[#6](/[#7])-[#7])nccc12

C[C@@H]1CCC[C@@H](c2cc(ccn2)-c2c(NC1=O)cnn2C(F)F)n1cnc(cc1=O)-c1cc(Cl)ccc1-n1cc(Cl)nn1 |r|

[H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC2=O)C(N)=O |r|

CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(N)=O |r|

[H][C@@]12CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC2=O)[C@@H](C)O)C(N)=O |r|

NC(=N)c1ccc2cc(\C=C\c3ccccc3)ccc2c1

NC(=N)c1ccc2cc(CCc3ccccc3)cc(Nc3ncccn3)c2c1

NC(=N)c1ccc2cc(\C=C\c3ccccc3)cc(-c3ccoc3)c2c1

NC(=N)c1ccc2cc(CCc3ccccc3)ccc2c1

NC(=N)c1ccc2cc(ccc2c1)C1CC1c1ccc2CCN=C(C3CCCCC3)c2c1 |t:25|

NC(=N)c1ccc2cc(cc(Br)c2c1)C1CC1c1ccccc1

NC(=N)c1ccc2cc(\C=C\c3ccccc3)cc(Nc3ncccn3)c2c1

CC(C)C1=NCCc2ccc(cc12)[C@@H]1CC1c1ccc2cc(ccc2c1)C(N)=N |t:3|

NC(=N)c1ccc2cc(\C=C\c3ccccc3)cc(Br)c2c1

CC(C)C1N(C)CCc2ccc(cc12)C1CC1c1ccc2cc(ccc2c1)C(N)=N

CC(C)C1=NCCc2ccc(cc12)[C@H]1CC1c1ccc2cc(ccc2c1)C(N)=N |t:3|

NC(=N)c1ccc2cc(cc(Br)c2c1)C(=O)Nc1ccccc1

NC(=N)c1ccc2cc(cc(-c3ccoc3)c2c1)C1CC1c1ccccc1

CC(C)C1=NCCc2cc(ccc12)C1CC1c1ccc2cc(ccc2c1)C(N)=N |t:3|

NC(=N)c1ccc2cc(cc(Nc3ncccn3)c2c1)C1CC1c1ccccc1

NC(=N)c1ccc2cc(ccc2c1)C1CC1c1ccc2CCN=C(c3ccccc3)c2c1 |t:25|

CN1CCc2ccc(cc2C1C1CCCCC1)C1CC1c1ccc2cc(ccc2c1)C(N)=N

CC(C)C1=NCCc2ccc(cc12)C1CC1c1ccc2cc(ccc2c1)C(N)=N |t:3|

CC1N(C)CCc2ccc(cc12)C1CC1c1ccc2cc(ccc2c1)C(N)=N

CN1CCc2ccc(cc2C1C(C)(C)C)C1CC1c1ccc2cc(ccc2c1)C(N)=N

CC(C)Oc1cccc(c1)C1CC1c1ccc2cc(ccc2c1)C(N)=N

NC(=N)c1ccc2cc(CCc3ccccc3)cc(Br)c2c1

NC(=N)c1ccc2cc(CCc3ccccc3)cc(-c3ccoc3)c2c1

[H]/N=C(/c1ccc2cc(ccc2c1)[C@@H]3C[C@H]3c4ccccc4)\N

NCCCC[C@@H](N1CCN(CC1)C(=O)[C@H](N)CO)C(=O)N1CCN(CC1)[C@H](Cc1ccccc1)C(N)=O |r|

CC[C@H](C)[C@@H](C(N)=O)n1cc(nn1)[C@@H](CO)N1C(=O)N[C@@H](Cc2ccccc2)C1=O |r|

NCCCC[C@H](C(=O)N1CCN(CC1)[C@@H](CO)C(N)=O)n1cc(nn1)[C@@H](Cc1ccccc1)N1C(=O)N[C@@H](CO)C1=O |r|

CC[C@H](C)[C@@H](C(N)=O)n1cc(nn1)[C@@H](CO)NC(=O)N1CCN(CC1)[C@@H](CO)C(=O)N1CCN(CC1)[C@@H](CCCCN)C(O)=O |r|

Cc1ccc(cc1Br)N1C(C(C(=O)c2ccc(Cl)cc2)=C(O)C1=O)c1cccc(F)c1 |t:21|

Cc1cccc2c(cc(nc12)-c1ccccc1)C(=O)N1CCN(CC1)c1c(C)n(C)c(=O)n(C)c1=O

N[C@H](Cc1ccccc1)C(=O)N1CCN(CC1)[C@H](CC(N)=O)C(=O)N1CCN(CC1)[C@H](CO)C(N)=O |r|

NCCCC[C@@H](N1CCN(CC1)C(=O)[C@H](N)CO)C(=O)N1CCN(CC1)[C@@H](Cc1ccccc1)C(N)=O |r|

NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)C1(O)c2ccccc2-c2cnccc12

[O-][N+](=O)c1coc(c1)C1c2[nH]c3ccccc3c2C(c2cc(co2)[N+]([O-])=O)c2[nH]c3ccccc3c12

c1ccc2c3C(c4[nH]c5ccccc5c4C(c3[nH]c2c1)c1cccnc1)c1cccnc1

Cc1cc2cc(ccc2o1)N=C(N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O)C(C#N)C(=O)OCCCCO |w:10.11|

CSc1sc(cc1S(=O)(=O)c1cc(Br)c2n(Cc3cc(F)ccc3F)cnc2c1)C(N)=N

[#6]-[#6]-c1ccc(-[#8]P(=O)([#8]-c2ccc(-[#6]-[#6])cc2)[#6](-[#7]-[#6](=O)-[#8]-[#6]-c2ccccc2)-c2ccc(cc2)\[#7]=[#6](\[#7])-[#7])cc1

[#7]\[#6](-[#7])=[#7]\c1ccc(cc1)-[#6](-[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1)P(=O)([#8]-c1ccc2ccccc2c1)[#8]-c1ccc2ccccc2c1

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

[#6]S(=O)(=O)c1ccc(-[#8]P(=O)([#8]-c2ccc(cc2)S([#6])(=O)=O)[#6](-[#7]-[#6](=O)-[#8]-[#6]-c2ccccc2)-c2ccc(cc2)\[#7]=[#6](\[#7])-[#7])cc1

[#6]-[#16]-c1ccc(-[#8]P(=O)([#8]-c2ccc(-[#16]-[#6])cc2)[#6](-[#7]-[#6](=O)-[#8]-[#6]-c2ccccc2)-c2ccc(cc2)\[#7]=[#6](\[#7])-[#7])cc1

[#6]C([#6])([#6])[#6]C([#6])([#6])c1ccc(-[#8]P(=O)([#8]-c2ccc(cc2)C([#6])([#6])[#6]C([#6])([#6])[#6])[#6](-[#7]-[#6](=O)-[#8]-[#6]-c2ccccc2)-c2ccc(cc2)\[#7]=[#6](\[#7])-[#7])cc1

[#6]C([#6])([#6])c1ccc(-[#8]P(=O)([#8]-c2ccc(cc2)C([#6])([#6])[#6])[#6](-[#7]-[#6](=O)-[#8]-[#6]-c2ccccc2)-c2ccc(cc2)\[#7]=[#6](\[#7])-[#7])cc1

[#6]-[#8]-c1ccc(-[#8]P(=O)([#8]-c2ccc(-[#8]-[#6])cc2)[#6](-[#7]-[#6](=O)-[#8]-[#6]-c2ccccc2)-c2ccc(cc2)\[#7]=[#6](\[#7])-[#7])cc1

[#6]-[#6](-[#6])-c1ccc(-[#8]P(=O)([#8]-c2ccc(cc2)-[#6](-[#6])-[#6])[#6](-[#7]-[#6](=O)-[#8]-[#6]-c2ccccc2)-c2ccc(cc2)\[#7]=[#6](\[#7])-[#7])cc1

[#6]-c1ccc(-[#8]P(=O)([#8]-c2ccc(-[#6])cc2)[#6](-[#7]-[#6](=O)-[#8]-[#6]-c2ccccc2)-c2ccc(cc2)\[#7]=[#6](\[#7])-[#7])cc1

CCOC(=O)N[C@@H](CCCCN)C(=O)c1noc(Cc2ccc(OCCc3ccccc3)cc2)n1

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

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

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,)|

[O-][n+]1ccccc1CCC(NS(=O)(=O)Cc1ccccc1)C(=O)NCC(=O)NCc1cc(Cl)ccc1Cl |w:9.10|

Nc1ccc(CNC(=O)CNC(=O)C(CCc2cccc[n+]2[O-])NS(=O)(=O)Cc2ccccc2)cn1 |w:13.23|

NCc1ccc(Cl)cc1CNC(=O)CNC(=O)[C@@H](CCc1cccc[n+]1[O-])NS(=O)(=O)Cc1ccccc1

CCOC(=O)CN[C@H](CCc1cccc[n+]1[O-])C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1CN

C[C@H](NC(=O)[C@@H](CCc1ccccn1)NS(=O)(=O)Cc1ccccc1)C(=O)NCc1cc(Cl)ccc1CN

CCCS(=O)(=O)NC(CCc1cccc[n+]1[O-])C(=O)NCC(=O)NCc1cc(Cl)ccc1CN |w:7.7|

NCc1ccc(Cl)cc1CNC(=O)CNC(=O)C(CCc1cccc[n+]1[O-])NS(=O)(=O)Cc1ccc(CC(O)=O)cc1 |w:17.18|

NCc1ccc(Cl)cc1CNC(=O)[C@H](CO)NC(=O)[C@@H](CCc1cccc[n+]1[O-])NS(=O)(=O)Cc1ccccc1

NCc1ccc(Cl)cc1CNC(=O)CNC(=O)C(CCc1cccc[n+]1[O-])NC(=O)C(O)=O |w:17.18|

COC(=O)C(=O)NC(CCc1cccc[n+]1[O-])C(=O)NCC(=O)NCc1cc(Cl)ccc1CN |w:7.7|

CCCCCCOC(=O)CN[C@H](CCc1cccc[n+]1[O-])C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1CN

NCc1ccc(Cl)cc1CNC(=O)CNC(=O)C(CCc1cccc[n+]1[O-])NC(=O)CC(O)=O |w:17.18|

NCc1ccccc1CNC(=O)CNC(=O)C(CCc1cccc[n+]1[O-])NS(=O)(=O)Cc1ccccc1 |w:16.27|

CC(C)OC(=O)CS(=O)(=O)NC(CCc1cccc[n+]1[O-])C(=O)NCC(=O)NCc1cc(Cl)ccc1CN |w:11.11|

NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCc1cccc[n+]1[O-])NCC(O)=O

NCc1ccc(Cl)cc1CNC(=O)[C@H](CO)NC(=O)C(CCc1ccccn1)NS(=O)(=O)Cc1ccccc1 |w:19.20|

[O-][n+]1ccccc1CC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)NCC(=O)NCc1cccc(Cl)c1

COC(=O)C(=O)N[C@H](CCc1cccc[n+]1[O-])C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1CN

CCOC(=O)CN[C@H](CCc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1CN

NCc1ccc(Cl)cc1CNC(=O)CNC(=O)C(CCc1cccc[n+]1[O-])NS(=O)(=O)CC(O)=O |w:17.18|

COC(=O)C(=O)NC(CCc1cccc[n+]1[O-])C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1CN |w:7.6|

NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCc1cccc[n+]1[O-])NCC(=O)OC1CCCCC1

[O-][n+]1ccccc1CCC(NS(=O)(=O)Cc1ccccc1)C(=O)NCC(=O)NCc1ccc(Cl)s1 |w:9.10|

COC(=O)Cc1ccc(CS(=O)(=O)NC(CCc2cccc[n+]2[O-])C(=O)NCC(=O)NCc2cc(Cl)ccc2CN)cc1 |w:14.14|

NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCc1cccc[n+]1[O-])NS(=O)(=O)Cc1ccccc1

NCc1ccc(Cl)cc1CNC(=O)CNC(=O)C(CCc1cccc[n+]1[O-])NCC(O)=O |w:17.18|

CCOC(=O)CC(=O)NC(CCc1cccc[n+]1[O-])C(=O)NCC(=O)NCc1cc(Cl)ccc1CN |w:9.9|

CCOC(=O)CN[C@H](CCc1ccccn1)C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1CN

NCc1ccc(Cl)cc1CNC(=O)[C@H](CCC(O)=O)NC(=O)C(CCc1cccc[n+]1[O-])NS(=O)(=O)Cc1ccccc1 |w:22.33|

CON([C@@H](CCC(O)=O)C(=O)NCc1cc(Cl)ccc1CN)C(=O)[C@@H](CCc1cccc[n+]1[O-])NS(=O)(=O)Cc1ccccc1

[O-][n+]1ccccc1CC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)NCC(=O)NCCc1ccncc1

[O-][n+]1ccccc1CCC(NS(=O)(=O)Cc1ccccc1)C(=O)NCC(=O)NCc1cccs1 |w:9.9|

C[C@H](NC(=O)[C@@H](CCc1cccc[n+]1[O-])NS(=O)(=O)Cc1ccccc1)C(=O)NCc1cc(Cl)ccc1CN

NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCc1ccccn1)NCC(O)=O

NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCc1cccc[n+]1[O-])NS(=O)(=O)CC(O)=O

NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCc1ccc(O)cc1)NCC(O)=O

CCN(CC)Cc1ccc(cc1)C(=O)N(CCc2ccccc2OC)[C@@H]3CCNC3

OC[C@@H]1C[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

CCOC(=O)N1C[C@@H](NC(=O)c2ccc(Cl)s2)[C@H](C1)NC(=O)c1ccc(cc1)-n1ccccc1=O

CC(=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

CCS(=O)(=O)N1C[C@@H](NC(=O)c2ccc(Cl)s2)[C@H](C1)NC(=O)c1ccc(cc1)-n1ccccc1=O

O=C(N[C@@H]1C[C@@H](C(=O)NC(CCCCNC(=S)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc32)C(=O)O)N(C(=O)c2cnoc2C2CC2)C1)c1c[nH]nn1

NC(N)Nc1ccc(CC(=O)c2ccccc2)cc1

NCCOc1c(Cl)cc(cc1Cl)C(=O)Nc1ccccc1

CC(C)Oc1cccc(c1)NC(=O)c2cc(c(c(c2)Cl)OCCN)Cl

c1c(cc(c(c1Cl)OCCN)Cl)C(=O)O

Cc1cc(cc(C)c1OCCN)C(=O)Nc1cc(F)cc(c1)N1CCOCC1

CC(C)Oc1cccc(NC(=O)c2cc(C)c(OCCN)c(C)c2)c1

CC(C)Oc1cc(NC(=O)c2cc(C)c(OCCN)c(C)c2)cc(OC(C)C)c1

COc1ccccc1NC(=O)c1cc(Cl)c(OCCN)c(Cl)c1

Cc1cc(cc(c1OCCN)C)C(=O)Nc2cc(cc(c2)Cl)N3CCCCC3

CCOc1c(cc(cc1Cl)N2CCCCC2)NC(=O)c3cc(c(c(c3)C)OCCN)C

CCOc1c(Cl)cc(cc1NC(=O)c1cc(C)c(OC[C@@H](C)N)c(C)c1)N1CCCCC1

C[C@@H](N)COc1c(C)cccc1C |r|

CCOc1ccc(c(c1)NC(=O)c2cc(c(c(c2)C)OCCN)C)OCC

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|

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

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|

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(Oc3ccc(N)c(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

NCc1cccc(c1)-c1cccc(Oc2nc(Oc3cc(ccc3C(O)=O)[N+]([O-])=O)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

Cc1ccc(Oc2nc(Oc3cccc(c3)-c3cccc(CN)c3)c(F)cc2F)c(c1)C(O)=O

Cc1cccc(Oc2nc(Oc3cccc(c3)-c3cccc(CN)c3)c(F)cc2F)c1C(O)=O

Cc1ccc(c(Oc2nc(Oc3cccc(c3)-c3cccc(CN)c3)c(F)cc2F)c1)-n1cnnn1

NCc1cccc(c1)-c1cccc(Oc2nc(Oc3ccccc3CCC(O)=O)c(F)cc2F)c1

NCc1cccc(c1)-c1cccc(Oc2nc(Oc3ccccc3CC(O)=O)c(F)cc2F)c1

NCc1cccc(c1)-c1cccc(Oc2nc(Oc3ccc(cc3)C(O)=O)c(F)cc2F)c1

NCc1cccc(c1)-c1cccc(Oc2nc(Oc3cccc(c3)C(O)=O)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)-c3ccc(CN)cc3)c(F)cc2F)c1

CN(C)Cc1cccc(c1)-c1cccc(Oc2nc(Oc3cc(ccc3C(O)=O)N(C)C)c(F)cc2F)c1

CNCc1cccc(c1)-c1cccc(Oc2nc(Oc3cc(ccc3C(O)=O)N(C)C)c(F)cc2F)c1

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

COC(=O)C(C)Oc1cccc2sc(cc12)C(N)=N

COC(=O)C(Oc1cccc2sc(cc12)C(N)=N)c1ccccc1

CN(C)CCNC(=O)C(Oc1cccc2sc(cc12)C(N)=N)c1ccccc1

NC(=N)c1cc2c(OC(C(=O)Nc3ccccc3)c3ccccc3)cccc2s1

NC(=N)c1cc2c(OC(C(=O)NCc3ccccc3)c3ccccc3)cccc2s1

COc1ccccc1NC(=O)C(Oc1cccc2sc(cc12)C(N)=N)c1ccccc1

COc1cccc(NC(=O)C(Oc2cccc3sc(cc23)C(N)=N)c2ccccc2)c1

COc1ccc(NC(=O)C(Oc2cccc3sc(cc23)C(N)=N)c2ccccc2)cc1

CCOC(=O)c1nccn1-c1ccc(NC(=O)C(Oc2cccc3sc(cc23)C(N)=N)c2ccccc2)cc1

CN(C)C(=O)c1ccc(NC(=O)C(Oc2cccc3sc(cc23)C(N)=N)c2ccccc2)cc1

NC(=N)c1cc2c(OC(C(=O)Nc3ccc(cc3)C(=O)N3CCCC3)c3ccccc3)cccc2s1

NCC(Oc1cccc2sc(cc12)C(N)=N)c1ccccc1

CC(=O)NCC(Oc1cccc2sc(cc12)C(N)=N)c1ccccc1

NC(=N)c1cc2c(OC(CNCc3ccccc3)c3ccccc3)cccc2s1

NC(=N)c1cc2c(OC(CNC(=O)Oc3ccccc3)c3ccccc3)cccc2s1

NC(=N)c1cc2c(OC(CNC(=O)Nc3ccccc3)c3ccccc3)cccc2s1

NC(=N)c1cc2c(OC(CO)c3ccccc3)cccc2s1

CNC(=O)OCC(Oc1cccc2sc(cc12)C(N)=N)c1ccccc1

CCNC(=O)OCC(Oc1cccc2sc(cc12)C(N)=N)c1ccccc1

NC(=N)c1cc2c(OC(COC(=O)Nc3ccccc3)c3ccccc3)cccc2s1

NC(=N)c1cc2c(OC(COC(=O)NCc3ccccc3)c3ccccc3)cccc2s1

NC(=N)c1cc2c(OC(COC(=O)Nc3ccccc3F)c3ccccc3)cccc2s1

NC(=N)c1cc2c(OC(COC(=O)Nc3cccc(F)c3)c3ccccc3)cccc2s1

NC(=N)c1cc2c(OC(COC(=O)Nc3ccc(F)cc3)c3ccccc3)cccc2s1

Cc1ccccc1NC(=O)OCC(Oc1cccc2sc(cc12)C(N)=N)c1ccccc1

COc1ccc(NC(=O)OCC(Oc2cccc3sc(cc23)C(N)=N)c2ccccc2)cc1

COc1ccc(NC(=O)OC[C@H](Oc2cccc3sc(cc23)C(N)=N)c2ccccc2)cc1 |r|

COc1ccc(NC(=O)OC[C@@H](Oc2cccc3sc(cc23)C(N)=N)c2ccccc2)cc1 |r|

CN(C)CCOc1ccc(NC(=O)OCC(Oc2cccc3sc(cc23)C(N)=N)c2ccccc2)cc1

CN1CCN(Cc2ccc(NC(=O)OCC(Oc3cccc4sc(cc34)C(N)=N)c3ccccc3)cc2)CC1

NCc1ccccc1NC(=O)OCC(Oc1cccc2sc(cc12)C(N)=N)c1ccccc1

CNCc1ccccc1NC(=O)OCC(Oc1cccc2sc(cc12)C(N)=N)c1ccccc1

CC(C)CNCc1ccccc1NC(=O)OCC(Oc1cccc2sc(cc12)C(N)=N)c1ccccc1

CN(C)Cc1ccccc1NC(=O)OCC(Oc1cccc2sc(cc12)C(N)=N)c1ccccc1

NC(=N)c1cc2c(OC(COC(=O)Nc3ccccc3CN3CCNCC3)c3ccccc3)cccc2s1

NC(=N)c1cc2c(OC(COC(=O)Nc3ccc(F)cc3F)c3ccccc3)cccc2s1

NC(=N)c1cc2c(OC(COC(=O)Nc3c(F)cccc3F)c3ccccc3)cccc2s1

Cc1noc(C)c1NC(=O)OCC(Oc1cccc2sc(cc12)C(N)=N)c1ccccc1

Cc1cc(NC(=O)OCC(Oc2cccc3sc(cc23)C(N)=N)c2ccccc2)n(C)n1

COCc1cc(NC(=O)OCC(Oc2cccc3sc(cc23)C(N)=N)c2ccccc2)n(C)n1

CNCc1cc(NC(=O)OCC(Oc2cccc3sc(cc23)C(N)=N)c2ccccc2)n(C)n1

Cc1n[nH]c(C)c1NC(=O)OCC(Oc1cccc2sc(cc12)C(N)=N)c1ccccc1

COC(=O)Cn1nc(C)c(NC(=O)OCC(Oc2cccc3sc(cc23)C(N)=N)c2ccccc2)c1C

CNCc1c(NC(=O)OCC(Oc2cccc3sc(cc23)C(N)=N)c2ccccc2)c(C)nn1C

CC(C)NCc1c(NC(=O)OCC(Oc2cccc3sc(cc23)C(N)=N)c2ccccc2)c(C)nn1C

NC(=N)c1cc2c(OC(COC(=O)Nc3ccccc3)c3ccccc3)cc(F)cc2s1

NCc1ccccc1NC(=O)OCC(Oc1cc(F)cc2sc(cc12)C(N)=N)c1ccccc1

CN(C)Cc1ccccc1NC(=O)OCC(Oc1cc(F)cc2sc(cc12)C(N)=N)c1ccccc1

NC(=N)c1cc2c(O[C@H](c3nc(no3)-c3ccccc3)c3ccccc3)cccc2s1 |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]

[#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]

CSCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CS)C(O)=O |r,wU:37.43,19.26,69.82,4.4,89.92,wD:29.34,58.66,83.88,8.15,46.51,96.98,(29.98,-31.85,;28.63,-32.59,;28.61,-34.13,;27.26,-34.88,;27.23,-36.42,;25.89,-37.17,;24.57,-36.37,;24.59,-34.83,;23.22,-37.12,;23.19,-38.66,;24.51,-39.45,;24.49,-41,;25.81,-41.79,;25.78,-43.33,;24.43,-44.08,;27.11,-44.13,;21.9,-36.34,;20.55,-37.09,;20.53,-38.62,;19.23,-36.3,;19.25,-34.75,;20.48,-33.82,;21.96,-34.26,;22.83,-33,;21.91,-31.77,;20.45,-32.28,;17.88,-37.04,;16.56,-36.25,;16.59,-34.7,;15.21,-36.99,;15.18,-38.53,;16.51,-39.32,;17.86,-38.58,;16.48,-40.87,;13.89,-36.19,;12.54,-36.94,;12.52,-38.48,;11.23,-36.15,;11.25,-34.61,;12.6,-33.86,;12.62,-32.31,;11.3,-31.52,;13.98,-31.57,;9.88,-36.89,;8.56,-36.1,;8.58,-34.56,;7.2,-36.84,;7.18,-38.39,;8.5,-39.18,;8.48,-40.72,;9.85,-38.43,;5.88,-36.06,;4.53,-36.8,;4.5,-38.35,;3.21,-36.01,;1.87,-36.76,;.55,-35.96,;.58,-34.42,;-.8,-36.71,;-.83,-38.25,;.5,-39.05,;.47,-40.58,;1.78,-41.38,;1.77,-42.92,;.42,-43.67,;3.09,-43.72,;-2.12,-35.92,;-3.47,-36.66,;-3.49,-38.21,;-4.79,-35.87,;-4.77,-34.33,;-3.51,-33.44,;-2.25,-34.31,;-1.02,-33.38,;-1.52,-31.93,;-.78,-30.58,;-1.57,-29.26,;-3.12,-29.29,;-3.86,-30.64,;-3.07,-31.95,;-6.14,-36.62,;-7.45,-35.82,;-7.43,-34.27,;-8.81,-36.57,;-8.83,-38.1,;-7.52,-38.91,;-10.13,-35.78,;-11.48,-36.52,;-11.5,-38.05,;-12.8,-35.73,;-14.14,-36.47,;-12.77,-34.18,;-11.42,-33.43,;28.55,-37.22,;28.53,-38.76,;29.9,-36.47,;31.22,-37.26,;31.2,-38.81,;32.52,-39.59,;32.57,-36.52,;33.89,-37.31,;32.59,-34.97,)|

[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7])-[#6]-[#16])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#16])-[#6](-[#8])=O |r|

COC(=O)c1nn(C(=O)c2cccc(C)c2)c2ccccc12

COC(=O)c1nn(C(=O)c2ccsc2)c2ccccc12

CC(C)OC(=O)c1nn(C(=O)c2ccccc2)c2ccccc12

FC(F)(F)COC(=O)c1nn(C(=O)c2ccccc2)c2ccccc12

CCCC(=O)n1nc(C(=O)OCC)c2ccccc12

COC(=O)c1nn(C(=O)c2ccccc2)c2ccccc12

NC(=N)NC(=O)c1ccccc1

NC(=N)NC(=O)c1cccnc1

NC(=N)NC(=O)c1ccccn1

NC(=N)NC(=O)c1cnccn1

NC(=N)NC(=O)c1cnc(Cl)c(Cl)c1

COc1cc(N)c(Cl)cc1C(=O)NC(N)=N

NC(=N)NC(=O)c1cnc[nH]1

Nc1noc(n1)-c1nc(Cl)c(N)nc1N

NNC(=O)c1nc(Cl)c(N)nc1N

NC(=N)NC(=O)c1nc(Cl)cnc1N

NC(=N)NC(=O)c1cnc(N)c(Br)n1

COC(=O)CNc1nc(N)c(nc1Cl)C(=O)NC(N)=N

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

CCOC(=O)CCNc1nc(N)c(nc1Cl)C(=O)NC(N)=N

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

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

CCOP(=O)(CNc1nc(N)c(nc1Cl)C(=O)NC(N)=N)OCC

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

CCOP(=O)(CCNc1nc(N)c(nc1Cl)C(=O)NC(N)=N)OCC

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

CCOP(O)(=O)CCNc1nc(N)c(nc1Cl)C(=O)NC(N)=N

CCOP(=O)(NNc1nc(N)c(nc1Cl)C(=O)NC(N)=N)OCC

NC(=N)NC(=O)c1nc(Cl)c(NCC#N)nc1N

NC(=N)NC(=O)c1nc(Cl)c(NCc2nnn[nH]2)nc1N

NC(=N)NC(=O)c1nc(Cl)c(NCCC#N)nc1N

NC(=N)NC(=O)c1nc(Cl)c(NCCc2nnn[nH]2)nc1N

NC(=N)NC(=O)c1nc(Cl)c(NCc2ccccc2)nc1N

NC(=N)NC(=O)c1nc(Cl)c(NCc2ccccn2)nc1N

NC(=N)NC(=O)c1nc(Cl)c(NCc2cccnc2)nc1N

NC(=N)NC(=O)c1nc(Cl)c(NCc2ccncc2)nc1N

NC(=N)NC(=O)c1nc(Cl)c(NCc2ccc(F)cc2)nc1N

NC(=N)NC(=O)c1nc(Cl)c(NCCc2ccccc2)nc1N

CCN(CC)CCNc1nc(N)c(nc1Cl)C(=O)NC(N)=N

CNCCN(C)c1nc(N)c(nc1Cl)C(=O)NC(N)=N

CN(CCNc1nc(N)c(nc1Cl)C(=O)NC(N)=N)Cc1ccccc1

NC(=N)NC(=O)c1nc(Cl)c(NCCNCc2ccccc2)nc1N

NC(=N)NC(=O)c1nc(Cl)c(NCC[n+]2ccccc2)nc1N

NC(=N)NC(=O)c1nc(Cl)c(NCCSCc2ccccc2)nc1N

NC(=N)NC(=O)c1nc(Cl)c(NCCS(=O)(=O)Cc2ccccc2)nc1N

Cc1ccc(cc1)S(=O)(=O)NCCNc1nc(N)c(nc1Cl)C(=O)NC(N)=N

CCN(C(C)C)c1nc(N)c(nc1Cl)C(=O)NC(N)=N

NC(=N)NC(=O)c1ncc(N)nc1N

NC(=N)NC(=O)c1ncc(NCc2ccccc2)nc1N

NC(=N)NC(=O)c1ncc(NCCc2ccccc2)nc1N

NC(=N)NC(=O)c1nc(I)c(N)nc1N

NC(=N)NC(=O)c1nc(Br)c(N)nc1N

NC(=N)NC(=O)c1nc(C#Cc2ccccc2)c(N)nc1N

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

NC(=O)c1ccc2cc(ccc2c1)C(=O)Nc1ccccc1

NC(=O)c1ccc2cc(ccc2c1)C(=O)Nc1ccc(cc1)-c1cccc(c1)C(F)(F)F

COc1ccc2cc(ccc2c1)C(=O)Nc1ccc(cc1)-c1cccc(c1)C(F)(F)F

COC(=O)c1cccc(c1)-c1ccc(NS(=O)(=O)c2ccc3cc(OC)ccc3c2)cc1

O=C(Nc1ccccc1)c1ccc2cc(ccc2c1)C#N

O=C(Nc1ccccc1)c1ccc2ccccc2c1

Brc1ccc2cc(ccc2c1)C(=O)Nc1ccccc1

Nc1ccc2cc(ccc2c1)C(=O)Nc1ccccc1

COc1ccc2cc(ccc2c1)C(=O)Nc1ccccc1

COC(=O)c1ccc2cc(ccc2c1)C(=O)Nc1ccccc1

OC(=O)c1ccc2cc(ccc2c1)C(=O)Nc1ccccc1

COc1cc(NC(=O)c2ccc3cc(ccc3c2)C(N)=O)cc(OC)c1

NCc1ccc(NC(=O)c2ccc3cc(ccc3c2)C(N)=O)cc1

COC(=O)c1cccc(c1)-c1ccc(NC(=O)c2ccc3ccccc3c2)cc1

COc1cccc(c1)-c1ccc(NC(=O)c2ccc3ccccc3c2)cc1

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(Cl)c1

COc1ccc(cc1)-c1ccc(NC(=O)c2ccc3cc(ccc3c2)C(N)=O)cc1OC

COC(=O)c1cccc(c1)-c1ccc(NC(=O)c2ccc3cc(ccc3c2)C(=O)OC)cc1

COc1cccc(c1)-c1ccc(NC(=O)c2ccc3cc(ccc3c2)C#N)cc1

COC(=O)c1cccc(c1)-c1ccc(NC(=O)c2ccc3cc(ccc3c2)C#N)cc1

OC(=O)c1cccc(c1)-c1ccc(NC(=O)c2ccc3cc(ccc3c2)C#N)cc1

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

COc1ccc(cc1)-c1ccc(NC(=O)c2ccc3cc(OC)ccc3c2)cc1

COc1ccc2cc(ccc2c1)C(=O)Nc1ccc(cc1)-c1ccc(OC)c(OC)c1

COc1ccc(cc1)-c1ccc(NC(=O)c2ccc3cc(OC)ccc3c2)cc1OC

COC(=O)c1cccc(c1)-c1ccc(NC(=O)c2ccc3cc(Cl)ccc3c2)cc1

COC(=O)c1cccc(c1)-c1ccc(NC(=O)c2ccc3cc(Br)ccc3c2)cc1

COC(=O)c1cccc(c1)-c1ccc(NC(=O)c2ccc3cc(N)ccc3c2)cc1

COC(=O)c1cccc(c1)-c1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1

COC(=O)c1ccc(cc1)-c1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1

COc1cccc(c1)-c1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1

COc1ccc2cc(ccc2c1)S(=O)(=O)Nc1ccc(cc1)-c1ccccc1

COc1ccc2cc(ccc2c1)S(=O)(=O)Nc1ccc(cc1)-c1cccc(c1)C(N)=O

COc1ccc2cc(ccc2c1)S(=O)(=O)Nc1ccc(cc1)-c1cccc(c1)C(F)(F)F

COc1ccc2cc(ccc2c1)S(=O)(=O)Nc1ccc(cc1)-c1cccc(F)c1

COc1ccc2cc(ccc2c1)S(=O)(=O)Nc1ccc(cc1)-c1cccc(Cl)c1

COc1cccc(c1)-c1ccc(NS(=O)(=O)c2ccc3cc(OC)ccc3c2)cc1

COc1ccc2cc(ccc2c1)S(=O)(=O)Nc1ccc(cc1)-c1cccc(c1)[N+]([O-])=O

COc1ccc2cc(ccc2c1)S(=O)(=O)Nc1ccc(cc1)-c1cccc(N)c1

COC(=O)c1ccc(cc1)-c1ccc(NS(=O)(=O)c2ccc3cc(OC)ccc3c2)cc1

COc1ccc(cc1)-c1ccc(NS(=O)(=O)c2ccc3cc(OC)ccc3c2)cc1

COc1ccc2cc(ccc2c1)S(=O)(=O)Nc1ccc(cc1)-c1ccc(OC)c(OC)c1

COc1ccc(cc1)-c1ccc(NS(=O)(=O)c2ccc3cc(OC)ccc3c2)cc1OC

OC(=O)[C@@H]1[C@@H](CC2CCNCC2)C(=O)N1C(=O)N1CCN(CC1)C(=O)Cc1ccc(OCc2ccccc2)cc1

OC(=O)[C@@H]1[C@@H](CC2CCNCC2)C(=O)N1C(=O)N1CCN(CC1)C(=O)CCCCCc1ccccc1

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

NC(=[NH2+])Nc1ccc(\C=C\C(O)=O)cc1

NC(=[NH2+])Nc1ccc(F)cc1

Cc1ccccc1NC(N)=[NH2+]

NC(=[NH2+])Nc1ccccc1N

[#7]\[#6](-[#7])=[#7]\c1cccc(c1)C(F)(F)F

[#7]\[#6](-[#7])=[#7]\c1ccccc1Cl

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

NC(=[NH2+])Nc1ccc(cc1)C([O-])=O

NC(=[NH2+])Nc1ccc(cc1)[N+]([O-])=O

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

CCc1ccc(NC(N)=[NH2+])cc1

[#7]\[#6](-[#7])=[#7]\c1cccc(Cl)c1

COc1ccccc1NC(N)=[NH2+]

[#7]\[#6](-[#7])=[#7+]/c1ccccc1-[#7+](-[#8-])=O

COC(=O)c1ccc(NC(N)=[NH2+])cc1

NC(=[NH2+])Nc1ccc(Br)cc1

[#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|

NC(=N)NCCCC1NC(=O)CNC(=O)c2cc(NC1=O)ccc2CBr

C[S+](Cc1ccc2NC(=O)C(CCCCN)NC(=O)CNC(=O)c1c2)c1ccccc1

[#6][S+]([#6]-c1ccc2-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-c1c2)c1ccccc1

[#6][S+]([#6])[#6]-c1ccc2-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-c1c2

CC(=O)N1CCN(CC1)C(=O)[C@@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1

CS(=O)(=O)N1CCN(CC1)C(=O)[C@@H](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|

NC(=N)c1cccc(C[C@@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(CCO)CC2)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(C[C@@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(CC2)C=O)c1

CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(nn2-c2cccc(CN)c2)C(F)(F)F)c(F)c1

NCc1ccccc1-n1nc(cc1C(=O)Nc1ccc(cc1F)-c1ccccc1S(N)(=O)=O)C(F)(F)F

c1cc2ccc(nc2c(c1)O)N

Nc1ccc2cccc(Nc3ncccn3)c2n1

c1cc(ccc1C(=O)N[C@H]2CCCC[C@H]2NC(=O)c3ccc4c(c3)[nH]cc4Cl)N5C=CC=CC5=O

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

Clc1ccc(s1)C(=O)N[C@@H]1CCC[C@@H]1NC(=O)c1ccc(cc1)C1(CN2CCCC2)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](=O)-[#7]-[#6](-[#6]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7])P(=O)([#8]-c1ccccc1)[#8]-c1ccccc1 |w:4.3|

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

NC(=N)c1ccc(CC(NC(=O)OCc2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1

[#7]\[#6](-[#7])=[#7]\c1ccc(-[#6]-[#7]-[#6](=O)-[#8]-[#6]-c2ccccc2)cc1

NC(=N)c1ccc(CCC(NC(=O)OCc2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1

[#6]S(=O)(=O)[#7]-[#6](-[#6]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7])P(=O)([#8]-c1ccccc1)[#8]-c1ccccc1 |w:5.4|

[#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]-[#6](=O)-[#8]-[#6]-c2ccccc2)cc1

[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6](-[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1)P(=O)([#8]-c1ccccc1)[#8]-c1ccccc1

[#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

[#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|

[#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

NC(=N)c1ccc(cc1)C(NC(=O)OCc1ccccc1)P(=O)(Oc1ccccc1)Oc1ccccc1

[#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]

[#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|

[#7]\[#6](-[#7])=[#7]\c1ccc(-[#6]-[#6](-[#7]-[#6](=O)-[#8]-[#6]-c2ccccc2)P(=O)([#8]-c2ccccc2)[#8]-c2ccccc2)cc1

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

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|

Nc1nc(NCC(=O)OCc2ccccc2)c(Cl)nc1C(=N)NO

Nc1nc(NCC(O)=O)cnc1C(=N)NO

NC(=N)c1nc(Cl)c(NCC(=O)OCc2ccccc2)nc1N

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

NC(=N)c1ncc(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)c1ncc(NCC(O)=O)nc1N

Nc1nc(NCC(O)=O)c(Cl)nc1C(=N)NO

[#6]-[#6](-[#6])-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#16]-[#6]-c2cc3-[#6]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#16]-[#6]-c(c3)c2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6]-1=O)-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6])-[#7] |r|

OC(=O)c1cccc(Nc2cc(N3CCCCCC3)c3noc4-c5ccccc5C(=O)c2c34)c1

NCCCC[C@H](NC(=O)c1ccc(F)c(F)c1)C(=O)c1noc(Cc2ccc(OCCc3ccc(Cl)c(Cl)c3)cc2)n1 |r|

Nc1ccc2cccc(OCc3ccccc3C#N)c2n1

NC(=N)c1ccc2cc(\C=C\c3ccc4CNCCc4c3)ccc2c1

NC(=N)c1ccc2cccc(C(=O)NO)c2c1

Nc1ccc2cc(O)cc(Nc3ncccn3)c2n1

NCc1ccc(cc1)C#Cc1ccc2cc(ccc2c1)C(N)=N

C1NC=Nc2ccccc12 |c:2|

CN(C)Cc1ccc(\C=C\c2cc(Br)c3cc(ccc3c2)C(N)=N)o1

Nc1ccc2ccc(cc2n1)C(=O)NCc1ccccc1

c1ccc2c(c1)ccnc2N

NC(=N)c1ccc2cc(ccc2c1)C(=O)Nc1ccc2CCCc2c1

CC(C)C1=NCCc2ccc(NC(=O)c3cc(Nc4ncccn4)c4cc(ccc4c3)C(N)=N)cc12 |t:3|

Cc1ccc(CN2CCc3cc(NC(=O)c4ccc5cc(ccc5c4)C(N)=N)ccc3C2)cc1

COc1ccc2ccc(cc2c1Nc1ccccc1)C(N)=N

NC(=N)c1ccc2cccc(NC(=O)OCc3ccccc3)c2c1

CCC(C)\C=C\c1cc(cc2ccc(cc12)C(N)=N)C(=O)OC

Nc1ccc2c(O)cccc2c1

COc1cc(Nc2ncccn2)c2nc(N)ccc2c1

NC(=N)c1ccc2cc(ccc2c1)C(=O)Nc1ccc2CN(CC=C)CCc2c1

NC(=N)c1ccc2cc(Nc3ncccn3)ccc2c1

Nc1ccc2cccc(NS(=O)(=O)c3cc(Br)c(Br)s3)c2n1

Nc1ccc2cccc(NS(=O)(=O)c3ccc4ccccc4c3)c2n1

NC(=N)c1ccc2cc(CCc3ccc4CNCCc4c3)ccc2c1

NC1CCc2ccccc2C1

NC(=N)c1ccc2cc(ccc2c1)C(=O)Nc1ccc2NCCCc2c1

CC(C)Oc1cccc(NC(=O)c2ccc(OCC(N)=N)c(Br)c2)c1

Nc1ccc2cccc(NC(=O)C3CC3)c2n1

NC(=N)c1cc2c(Nc3ncccn3)cccc2s1

NC(=N)NC(=O)c1cc(Br)ccc1N

NC(=N)c1ccc2cc(\C=C(/Cl)c3ccccc3)ccc2c1

NC(=N)NC(=O)c1ccc(\C=C\c2ccccc2)c(Nc2ncccn2)c1

NC(=N)NC(=O)c1nc(-c2ccoc2)c(NCCCc2ccccc2)nc1N

NCc1ccc(NC(=O)c2cc(Nc3ncccn3)c3cc(ccc3c2)C(=N)NO)cc1

NC(=N)c1ccc2cc(CCc3ccc(CN4CCCC4)cc3)cc(Nc3ncccn3)c2c1

NCCc1ccc(cc1)C#Cc1ccc2cc(ccc2c1)C(N)=N

Nc1ccc2cc(NCCc3ccccc3)cc(Nc3ncccn3)c2n1

COc1ccc2ccc(cc2c1Oc1cnccn1)C(N)=N

Nc1ccc2cc(NC(=O)c3ccccc3)ccc2n1

Nc1ccc2cc(NC(=O)CCc3ccccc3)ccc2n1

NC(=N)c1ccc2cc(ccc2c1)-c1ccc(N)cc1

NC(=N)c1ccc2cc(ccc2c1)C(=O)Nc1ccc2OCOc2c1

NC(=N)c1ccc2cc(\C=C\c3ccc(cc3)C(O)CO)ccc2c1

Nc1ccc2cccc(NC(=O)OC=C)c2n1

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)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,)|

[#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|

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|

[H]/N=C(\c1ccc(cc1)Oc2ccc(c(n2)Oc3ccc(cc3)/C(=N\[H])/N)NS(=O)(=O)c4ccc(cc4)F)/N

N[C@H]1CC[C@@H](CC1)NC(=O)c1ccc(Oc2ccc(cc2)C(N)=N)nc1Oc1ccc(cc1)C(N)=N |r,wU:4.7,wD:1.0,(46.68,-10.38,;45.36,-11.18,;44.01,-10.43,;42.69,-11.22,;42.72,-12.76,;44.06,-13.51,;45.38,-12.72,;41.4,-13.56,;40.05,-12.81,;40.02,-11.27,;38.73,-13.6,;37.38,-12.86,;36.06,-13.65,;36.09,-15.19,;34.77,-15.98,;33.42,-15.23,;33.4,-13.7,;32.05,-12.95,;30.73,-13.74,;30.76,-15.28,;32.1,-16.03,;29.38,-13,;28.06,-13.79,;29.36,-11.46,;37.44,-15.94,;38.76,-15.14,;40.1,-15.89,;40.13,-17.43,;41.48,-18.17,;41.5,-19.71,;40.18,-20.51,;38.84,-19.76,;38.81,-18.22,;40.21,-22.05,;41.56,-22.79,;38.89,-22.84,)|

NC(=N)c1ccc(Oc2ccc(N)c(Oc3ccc(cc3)C(N)=N)n2)cc1

NC(=N)c1ccc(Oc2ccc(NS(=O)(=O)c3cccc4cccnc34)c(Oc3ccc(cc3)C(N)=N)n2)cc1

[H]/N=C(\c1ccc(cc1)Oc2ccc(c(n2)Oc3ccc(cc3)/C(=N\[H])/N)NS(=O)(=O)c4ccc5ccccc5c4)/N

NC(=N)c1ccc(Oc2ccc(NS(=O)(=O)c3cc(F)cc(F)c3)c(Oc3ccc(cc3)C(N)=N)n2)cc1

NCCC1CCN(CC1)C(=O)c1cc(Oc2ccc(cc2)C(N)=N)nc(Oc2ccc(cc2)C(N)=N)c1

NCCC1CCN(CC1)C(=O)c1ccc(Oc2ccc(cc2)C(N)=N)nc1Oc1ccc(cc1)C(N)=N

[H]/N=C(\N)/c1ccc(cc1)Oc2nc(cc(c2)C(=O)NC3CCC(CC3)N)Oc4ccc(cc4)/C(=N\[H])/N

NCCCN1CCC(CC1)NC(=O)c1cc(Oc2ccc(cc2)C(N)=N)nc(Oc2ccc(cc2)C(N)=N)c1

NCCCNC(=O)c1ccc(Oc2ccc(cc2)C(N)=N)nc1Oc1ccc(cc1)C(N)=N

NCCC(=O)N1CCC(CC1)NC(=O)c1ccc(Oc2ccc(cc2)C(N)=N)nc1Oc1ccc(cc1)C(N)=N

COc1cc(ccc1O)[C@H]1Oc2cc(ccc2O[C@@H]1CO)[C@H]1Oc2cc(O)cc(O)c2C(O)C1=O |r|

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|

COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)C(C)(C)CO

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|

Cn1c(CN2C(=O)CN(C2=O)c2ccc(Oc3ccncc3)cc2)cc2cnc(nc12)C(=O)N[C@@H](CCCCN)C#N |r|

CN1CCN(CC1)C(=O)C[C@H](NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1)c1nc(c(Cl)[nH]1)-c1ccc2[nH]c(=O)cc(O)c2c1 |r|

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,)|

NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(n1)N1CCCCC1

NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(n1)C1(O)CCCCC1

NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(n1)C1(F)CCCCC1

NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc([n+]1[O-])C1(O)CCCCC1

OC(=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)cc1 |r|

CN1CCN(CC1)C(=O)Nc1ccc(C[C@H](NC(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)C(=O)Nc2ccc(cc2)C(O)=O)cc1 |r|

c1ccc(cc1)C[C@@H](C(=O)NCCc2cc(ccc2n3cnnn3)Cl)NC(=O)c4ccc5c(c4)C(=CC(=O)N5)O

CCCCCCCCNC(=O)[C@H](Cc1ccc(OC(C)(C)C)cc1)NC(=O)[C@H]1CC[C@H](CN)CC1 |r,wU:30.31,wD:27.27,11.11,(17.08,-3.75,;16.01,-3.13,;14.67,-3.89,;13.34,-3.12,;12,-3.88,;10.67,-3.11,;9.34,-3.88,;8,-3.1,;6.67,-3.87,;5.33,-3.09,;5.34,-1.86,;4,-3.86,;3.99,-5.4,;5.33,-6.17,;5.33,-7.71,;6.66,-8.48,;8,-7.71,;9.33,-8.48,;10.66,-7.71,;11.73,-8.32,;10.66,-6.47,;11.73,-7.09,;8,-6.17,;6.66,-5.4,;2.66,-3.08,;2.67,-1.54,;3.73,-.93,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-2.66,2.78,;-1.33,-.77,;,-1.54,)|

CCCCCCCCNC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@H]1CC[C@H](CN)CC1 |r,wU:33.35,wD:30.31,11.11,(17.08,-3.75,;16.01,-3.13,;14.67,-3.89,;13.34,-3.12,;12,-3.88,;10.67,-3.11,;9.34,-3.88,;8,-3.1,;6.67,-3.87,;5.33,-3.09,;5.34,-1.86,;4,-3.86,;3.99,-5.4,;5.33,-6.17,;5.33,-7.71,;6.66,-8.48,;8,-7.71,;9.33,-8.48,;10.66,-7.71,;12,-8.47,;13.33,-7.7,;14.67,-8.47,;14.67,-10.01,;13.33,-10.78,;12,-10.01,;8,-6.17,;6.66,-5.4,;2.66,-3.08,;2.67,-1.54,;3.73,-.93,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-2.66,2.78,;-1.33,-.77,;,-1.54,)|

CCCCCCCCNC(=O)[C@H](Cc1ccc(OCc2cccc(c2)[N+]([O-])=O)cc1)NC(=O)[C@H]1CC[C@H](CN)CC1 |r,wU:36.38,wD:33.34,11.11,(17.08,-3.75,;16.01,-3.13,;14.67,-3.89,;13.34,-3.12,;12,-3.88,;10.67,-3.11,;9.34,-3.88,;8,-3.1,;6.67,-3.87,;5.33,-3.09,;5.34,-1.86,;4,-3.86,;3.99,-5.4,;5.33,-6.17,;5.33,-7.71,;6.66,-8.48,;8,-7.71,;9.33,-8.48,;10.66,-7.71,;12,-8.47,;12,-10.01,;13.33,-10.78,;14.67,-10.01,;14.67,-8.47,;13.33,-7.7,;16,-7.71,;16.01,-6.48,;17.07,-8.32,;8,-6.17,;6.66,-5.4,;2.66,-3.08,;2.67,-1.54,;3.73,-.93,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-2.66,2.78,;-1.33,-.77,;,-1.54,)|

CCCCCCCCNC(=O)[C@H](Cc1ccc(OCc2cccc(N)c2)cc1)NC(=O)[C@H]1CC[C@H](CN)CC1 |r,wU:34.36,wD:31.32,11.11,(17.08,-3.75,;16.01,-3.13,;14.67,-3.89,;13.34,-3.12,;12,-3.88,;10.67,-3.11,;9.34,-3.88,;8,-3.1,;6.67,-3.87,;5.33,-3.09,;5.34,-1.86,;4,-3.86,;3.99,-5.4,;5.33,-6.17,;5.33,-7.71,;6.66,-8.48,;8,-7.71,;9.33,-8.48,;10.66,-7.71,;12,-8.47,;12,-10.01,;13.33,-10.78,;14.67,-10.01,;14.67,-8.47,;15.73,-7.86,;13.33,-7.7,;8,-6.17,;6.66,-5.4,;2.66,-3.08,;2.67,-1.54,;3.73,-.93,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-2.66,2.78,;-1.33,-.77,;,-1.54,)|

CCCCCCCCNC(=O)[C@H](Cc1ccc(OCc2ccccc2C(F)(F)F)cc1)NC(=O)[C@H]1CC[C@H](CN)CC1 |r,wU:37.39,wD:34.35,11.11,(17.08,-3.75,;16.01,-3.13,;14.67,-3.89,;13.34,-3.12,;12,-3.88,;10.67,-3.11,;9.34,-3.88,;8,-3.1,;6.67,-3.87,;5.33,-3.09,;5.34,-1.86,;4,-3.86,;3.99,-5.4,;5.33,-6.17,;5.33,-7.71,;6.66,-8.48,;7.99,-7.71,;9.33,-8.48,;10.66,-7.71,;12,-8.47,;12,-10.01,;13.33,-10.78,;14.67,-10.01,;14.67,-8.47,;13.33,-7.7,;13.33,-6.16,;12.27,-5.55,;14.4,-5.55,;13.33,-4.93,;7.99,-6.17,;6.66,-5.4,;2.66,-3.08,;2.67,-1.54,;3.73,-.93,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-2.66,2.78,;-1.33,-.77,;,-1.54,)|

CCCCCCCCNC(=O)[C@H](Cc1ccc(OCc2cccc(c2)C(F)(F)F)cc1)NC(=O)[C@H]1CC[C@H](CN)CC1 |r,wU:37.39,wD:34.35,11.11,(17.08,-3.75,;16.01,-3.13,;14.67,-3.89,;13.34,-3.12,;12,-3.88,;10.67,-3.11,;9.34,-3.88,;8,-3.1,;6.67,-3.87,;5.33,-3.09,;5.34,-1.86,;4,-3.86,;3.99,-5.4,;5.33,-6.17,;5.33,-7.71,;6.66,-8.48,;7.99,-7.71,;9.33,-8.48,;10.66,-7.71,;12,-8.47,;12,-10.01,;13.33,-10.78,;14.67,-10.01,;14.67,-8.47,;13.33,-7.7,;16,-7.7,;16,-6.47,;17.07,-8.32,;17.07,-7.09,;7.99,-6.17,;6.66,-5.4,;2.66,-3.08,;2.67,-1.54,;3.73,-.93,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-2.66,2.78,;-1.33,-.77,;,-1.54,)|

CCCCCCCCNC(=O)[C@H](Cc1ccc(OCc2ccc(cc2)C(F)(F)F)cc1)NC(=O)[C@H]1CC[C@H](CN)CC1 |r,wU:37.39,wD:34.35,11.11,(17.08,-3.75,;16.01,-3.13,;14.67,-3.89,;13.34,-3.12,;12,-3.88,;10.67,-3.11,;9.34,-3.88,;8,-3.1,;6.67,-3.87,;5.33,-3.09,;5.34,-1.86,;4,-3.86,;3.99,-5.4,;5.33,-6.17,;5.33,-7.71,;6.66,-8.48,;7.99,-7.71,;9.33,-8.48,;10.66,-7.71,;12,-8.47,;13.33,-7.7,;14.67,-8.47,;14.67,-10.01,;13.33,-10.78,;12,-10.01,;16,-10.78,;17.07,-10.17,;16,-12.02,;17.07,-11.4,;7.99,-6.17,;6.66,-5.4,;2.66,-3.08,;2.67,-1.54,;3.73,-.93,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-2.66,2.78,;-1.33,-.77,;,-1.54,)|

CCCCCCCCNC(=O)[C@H](Cc1ccc(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(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(OCc2ccc(cc2)C(O)=O)cc1)NC(=O)[C@H]1CC[C@H](CN)CC1 |r,wU:36.38,wD:33.34,11.11,(17.08,-3.75,;16.01,-3.13,;14.67,-3.89,;13.34,-3.12,;12,-3.88,;10.67,-3.11,;9.34,-3.88,;8,-3.1,;6.67,-3.87,;5.33,-3.09,;5.34,-1.86,;4,-3.86,;3.99,-5.4,;5.33,-6.17,;5.33,-7.71,;6.66,-8.48,;7.99,-7.71,;9.33,-8.48,;10.66,-7.71,;12,-8.47,;13.33,-7.7,;14.67,-8.47,;14.67,-10.01,;13.33,-10.78,;12,-10.01,;16,-10.79,;17.07,-10.17,;16,-12.02,;7.99,-6.17,;6.66,-5.4,;2.66,-3.08,;2.67,-1.54,;3.73,-.93,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-2.66,2.78,;-1.33,-.77,;,-1.54,)|

CCCCCCCCNC(=O)[C@H](Cc1ccc(OCc2cccc3ccccc23)cc1)NC(=O)[C@H]1CC[C@H](CN)CC1 |r,wU:34.36,11.11,wD:37.40,(5.29,.53,;5.3,-.7,;3.97,-1.48,;3.99,-3.02,;2.66,-3.8,;2.67,-5.35,;1.35,-6.13,;1.36,-7.67,;.03,-8.45,;.05,-9.99,;1.12,-10.6,;-1.28,-10.78,;-2.62,-10.02,;-2.63,-8.48,;-3.97,-7.71,;-3.98,-6.17,;-2.65,-5.4,;-2.66,-3.85,;-1.33,-3.08,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;2.66,-.77,;1.33,-1.54,;,-.77,;-1.31,-6.16,;-1.3,-7.7,;-1.27,-12.32,;.07,-13.08,;1.13,-12.45,;.09,-14.62,;1.42,-15.38,;1.43,-16.92,;.1,-17.7,;.12,-19.24,;1.19,-19.85,;-1.24,-16.94,;-1.24,-15.4,)|

CCCCCCCCNC(=O)[C@H](Cc1ccc(OCc2ccc3ccccc3c2)cc1)NC(=O)[C@H]1CC[C@H](CN)CC1 |r,wU:37.40,wD:34.36,11.11,(2.4,5.49,;1.33,6.11,;-.01,5.35,;-1.34,6.12,;-2.68,5.36,;-4.01,6.13,;-5.34,5.37,;-6.68,6.14,;-8.01,5.38,;-9.35,6.15,;-9.34,7.38,;-10.68,5.39,;-10.69,3.85,;-9.35,3.07,;-9.35,1.53,;-8.02,.76,;-6.69,1.53,;-5.35,.76,;-4.02,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.66,-.77,;2.66,.77,;1.33,1.54,;,.77,;-1.33,1.54,;-6.69,3.07,;-8.02,3.84,;-12.02,6.16,;-12.01,7.7,;-10.95,8.31,;-13.35,8.47,;-13.35,10.01,;-14.68,10.78,;-16.01,10.01,;-17.35,10.79,;-17.34,12.02,;-16.01,8.47,;-14.68,7.7,)|

CCCCCCCCNC(=O)[C@H](Cc1ccc(OCc2cccc3cccnc23)cc1)NC(=O)[C@H]1CC[C@H](CN)CC1 |r,wU:34.36,11.11,wD:37.40,(5.29,.53,;5.3,-.7,;3.97,-1.48,;3.99,-3.02,;2.66,-3.8,;2.67,-5.35,;1.35,-6.13,;1.36,-7.67,;.03,-8.45,;.05,-9.99,;1.12,-10.6,;-1.28,-10.78,;-2.62,-10.02,;-2.63,-8.48,;-3.97,-7.71,;-3.98,-6.17,;-2.65,-5.4,;-2.66,-3.85,;-1.33,-3.08,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;2.66,-.77,;1.33,-1.54,;,-.77,;-1.31,-6.16,;-1.3,-7.7,;-1.27,-12.32,;.07,-13.08,;1.13,-12.45,;.09,-14.62,;1.42,-15.38,;1.43,-16.92,;.1,-17.7,;.12,-19.24,;1.19,-19.85,;-1.24,-16.94,;-1.24,-15.4,)|

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

CCCCCCCCNC(=O)[C@H](Cc1ccc(OCc2cccc(OCc3ccncc3)c2)cc1)NC(=O)[C@H]1CC[C@H](CN)CC1 |r,wU:38.40,11.11,wD:41.44,(9.06,-17.57,;7.99,-16.96,;7.99,-15.42,;6.66,-14.64,;6.66,-13.1,;5.32,-12.33,;5.32,-10.79,;3.99,-10.02,;3.99,-8.48,;2.66,-7.71,;1.59,-8.32,;2.66,-6.16,;3.99,-5.4,;5.33,-6.17,;5.33,-7.71,;6.66,-8.48,;8,-7.71,;9.33,-8.48,;10.66,-7.71,;12,-8.47,;12,-10.01,;13.33,-10.78,;14.67,-10.01,;14.67,-8.47,;16,-7.7,;16,-6.16,;17.33,-5.39,;17.33,-3.85,;18.66,-3.08,;20,-3.85,;20,-5.39,;18.66,-6.16,;13.33,-7.7,;8,-6.17,;6.66,-5.4,;1.33,-5.39,;-.01,-6.16,;-.01,-7.39,;-1.34,-5.39,;-2.68,-6.15,;-4.01,-5.37,;-4,-3.83,;-5.34,-3.06,;-6.41,-3.67,;-2.67,-3.07,;-1.34,-3.85,)|

CCCCCCCCNC(=O)[C@H](Cc1ccc(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(c2)C(=O)OCC)cc1)NC(=O)[C@H]1CC[C@H](CN)CC1 |r,wU:38.40,wD:35.36,11.11,(17.08,-3.75,;16.01,-3.13,;14.67,-3.89,;13.34,-3.12,;12,-3.88,;10.67,-3.11,;9.34,-3.88,;8,-3.1,;6.67,-3.87,;5.33,-3.09,;5.34,-1.86,;4,-3.86,;3.99,-5.4,;5.33,-6.17,;5.33,-7.71,;6.66,-8.48,;7.99,-7.71,;9.33,-8.48,;10.66,-7.71,;12,-8.47,;12,-10.01,;13.33,-10.78,;14.67,-10.01,;14.67,-8.47,;13.33,-7.7,;16,-7.71,;16.01,-6.47,;17.34,-8.48,;18.67,-7.71,;19.74,-8.33,;7.99,-6.17,;6.66,-5.4,;2.66,-3.08,;2.67,-1.54,;3.73,-.93,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-2.66,2.78,;-1.33,-.77,;,-1.54,)|

CCCCCCCCNC(=O)[C@H](Cc1ccc(OCc2cccc(c2)C(O)=O)cc1)NC(=O)[C@H]1CC[C@H](CN)CC1 |r,wU:36.38,wD:33.34,11.11,(17.08,-3.75,;16.01,-3.13,;14.67,-3.89,;13.34,-3.12,;12,-3.88,;10.67,-3.11,;9.34,-3.88,;8,-3.1,;6.67,-3.87,;5.33,-3.09,;5.34,-1.86,;4,-3.86,;3.99,-5.4,;5.33,-6.17,;5.33,-7.71,;6.66,-8.48,;7.99,-7.71,;9.33,-8.48,;10.66,-7.71,;12,-8.47,;12,-10.01,;13.33,-10.78,;14.67,-10.01,;14.67,-8.47,;13.33,-7.7,;16,-7.71,;16.01,-6.47,;17.07,-8.32,;7.99,-6.17,;6.66,-5.4,;2.66,-3.08,;2.67,-1.54,;3.73,-.93,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-2.66,2.78,;-1.33,-.77,;,-1.54,)|

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

c1ccc(cc1)C[C@@H](c2cc(ccn2)c3ccc4c(c3)c(n[nH]4)O)NC(=O)C5CCC(CC5)CN

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|

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|

[H][C@]12CSCc3cc(CSC[C@H](NC(=O)[C@@H](C)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)NCC(N)=O)cc(CSC[C@@H](NC(=O)[C@H](C)N)C(=O)N[C@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N2)c3 |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|

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|

NC(=N)Nc1ccc(cc1)[C@H]1C\C(OC(=C)[C@@H]1NC(=O)c1ccccc1)=C/I |r|

NC(=N)Nc1ccc(cc1)C1CC(=C)OC(=C)C1

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|