Compound Name

SMILES String

O=C1NC(=O)C(=C1c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 |c:5|

Cn1cc(C2=C(C(=O)NC2=O)c2cn(C)c3ccccc23)c2ccccc12 |t:4|

Cn1cc(C2=C(C(=O)NC2=O)c2cn(Cc3ccccc3)c3ccccc23)c2ccccc12 |t:4|

Cn1cc(C2=C(C(=O)NC2=O)c2cccc3ccccc23)c2ccccc12 |t:4|

Cn1cc(C2=C(C(=O)NC2=O)c2csc3ccccc23)c2ccccc12 |t:4|

Cn1cc(C2=C(C(=O)NC2=O)c2ccccc2)c2ccccc12 |t:4|

Cn1cc(C2=C(C(=O)NC2=O)c2cn(C)c3ccc(Cl)cc23)c2ccccc12 |t:4|

Cc1ccc2n(C)cc(C3=C(C(=O)NC3=O)c3cn(C)c4ccccc34)c2c1 |t:9|

COc1ccc2n(C)cc(C3=C(C(=O)NC3=O)c3cn(C)c4ccccc34)c2c1 |t:10|

Cn1cc(C2=C(C(=O)NC2=O)c2cn(C)c3ccc(cc23)[N+]([O-])=O)c2ccccc12 |t:4|

Cn1cc(C2=C(C(=O)NC2=O)c2cn(C)c3cc(N)ccc23)c2ccccc12 |t:4|

Cn1cc(C2=C(C(=O)NC2=O)c2cn(C)c3c(N)cccc23)c2ccccc12 |t:4|

Cc1cccc2n(C)cc(C3=C(C(=O)NC3=O)c3cn(C)c4ccccc34)c12 |t:10|

Cn1cc(C2=C(C(=O)NC2=O)c2cn(C)c3cccc([N+]([O-])=O)c23)c2ccccc12 |t:4|

Cc1c(C2=C(C(=O)NC2=O)c2cn(C)c3ccccc23)c2ccccc2n1C |t:3|

Cc1cccc(c1)C1=C(C(=O)NC1=O)c1cn(C)c2ccccc12 |t:8|

Cn1cc(C2=C(C(=O)NC2=O)c2cccc(Cl)c2)c2ccccc12 |t:4|

Cn1cc(C2=C(C(=O)NC2=O)c2cccc(N)c2)c2ccccc12 |t:4|

Cn1cc(C2=C(C(=O)NC2=O)c2ccccc2[N+]([O-])=O)c2ccccc12 |t:4|

Cc1ccc(C)c(c1)C1=C(C(=O)NC1=O)c1cn(C)c2ccccc12 |t:9|

Cn1cc(C2=C(C(=O)NC2=O)c2cc(Cl)cc(Cl)c2)c2ccccc12 |t:4|

O=C1NCc2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21

c1ccc2c(c1)c3c4c(c5c6ccccc6[nH]c5c3[nH]2)C(=O)NC4=O

CN1C(=O)C(=C(C1=O)c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 |c:4|

O=C1OC(=O)C(=C1c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 |c:5|

O=C1NC(=O)C(C1c1c[nH]c2ccccc12)c1c[nH]c2ccccc12

OC1NC(=O)C(=C1c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 |c:5|

O=C1NCC(=C1c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 |c:4|

Cc1[nH]c2ccccc2c1C1=C(C(=O)NC1=O)c1c(C)[nH]c2ccccc12 |t:12|

Oc1ccc2c(c[nH]c2c1)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 |t:12|

CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2cn(C)c3ccccc23)c2ccccc12 |t:9|

COCCn1cc(C2=C(C(=O)NC2=O)c2cn(CCCN(C)C)c3ccccc23)c2ccccc12 |t:7|

CN(C)CCCn1c2ccccc2c2c3C(=O)NC(=O)c3c3c4ccccc4[nH]c3c12

CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:9|

O=C1NC(=O)C(=C1c1c[nH]c2ccccc12)c1cn(CCC2CCCCN2)c2ccccc12 |c:5|

O=C1NC(=O)C(=C1c1c[nH]c2ccccc12)c1cn(CCCN2CCNCC2)c2ccccc12 |c:5|

COC(=O)CCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:9|

COCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:7|

CN(C)CCCn1cc(C2=C(CNC2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:9|

CC(CN(C)C)Cn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:10|

NCCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:7|

CN1CCCC(Cn2cc(C3=C(C(=O)NC3=O)c3c[nH]c4ccccc34)c3ccccc23)C1 |t:10|

O=C1NC(=O)C(=C1c1c[nH]c2ccccc12)c1cn(CCCN2CCOCC2)c2ccccc12 |c:5|

CN1CCCC1CCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:12|

C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC

Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)CCCN

Cn1cc(C2=C(C(=O)NC2=O)c2c3CCCn3c3ccccc23)c2ccccc12 |t:4|

Cn1cc(C2=C(C(=O)NC2=O)c2c3CCCCn3c3ccccc23)c2ccccc12 |t:4|

Cn1cc(C2=C(C(=O)NC2=O)c2c3CCCCCn3c3ccccc23)c2ccccc12 |t:4|

Cn1cc(C2=C(C(=O)NC2=O)c2c3CC(CN)Cn3c3ccccc23)c2ccccc12 |t:4|

Cn1cc(C2=C(C(=O)NC2=O)c2c3CC(CN)CCn3c3ccccc23)c2ccccc12 |t:4|

Cn1cc(C2=C(C(=O)NC2=O)c2c3CC(CCN)CCn3c3ccccc23)c2ccccc12 |t:4|

Cn1cc(C2=C(C(=O)NC2=O)c2c3CCC(CN)Cn3c3ccccc23)c2ccccc12 |t:4|

Cn1cc(C2=C(C(=O)NC2=O)c2c3CCC(CCN)Cn3c3ccccc23)c2ccccc12 |t:4|

Cn1cc(C2=C(C(=O)NC2=O)c2c3CCC(CN)CCn3c3ccccc23)c2ccccc12 |t:4|

Cn1cc(C2=C(C(=O)NC2=O)c2c3CCCC(CN)Cn3c3ccccc23)c2ccccc12 |t:4|

Cn1cc(C2=C(C(=O)NC2=O)c2c3CC(CN)CCCn3c3ccccc23)c2ccccc12 |t:4|

Cn1cc(C2=C(C(=O)NC2=O)c2c3CC(N)CCn3c3ccccc23)c2ccccc12 |t:4|

Cn1cc(C2=C(C(=O)NC2=O)c2c3CCC(N)Cn3c3ccccc23)c2ccccc12 |t:4|

Cn1cc(C2=C(C(=O)NC2=O)c2c3CCC(N)CCn3c3ccccc23)c2ccccc12 |t:4|

Cn1cc(C2=C(C(=O)NC2=O)c2c3CNCCn3c3ccccc23)c2ccccc12 |t:4|

CNCC1CCn2c(C1)c(C1=C(C(=O)NC1=O)c1cn(C)c3ccccc13)c1ccccc21 |t:11|

CN(C)CC1CCn2c(C1)c(C1=C(C(=O)NC1=O)c1cn(C)c3ccccc13)c1ccccc21 |t:12|

Cn1cc(C2=C(C(=O)NC2=O)c2c3CC(C[N+](C)(C)C)CCn3c3ccccc23)c2ccccc12 |t:4|

Cn1cc(C2=C(C(=O)NC2=O)c2c3C[C@@H](CN)CCn3c3ccccc23)c2ccccc12 |r,t:4|

Cn1cc(C2=C(C(=O)NC2=O)c2c3C[C@H](CN)CCn3c3ccccc23)c2ccccc12 |r,t:4|

Cn1c2ccccc2c3c1c4c(c5ccccc5n4CCC#N)c6c3C(=O)NC6

COc1ccc2n(C)c3c(c4C(=O)NCc4c4c5cc(OC)ccc5n(CCC#N)c34)c2c1

CN(C)CCCn1c2ccccc2c2c3CNC(=O)c3c3c4ccccc4[nH]c3c12

CN(C)CCCn1c2ccccc2c2c3CNC(=O)c3c3c4ccccc4n(C)c3c12

Cn1c2ccccc2c2c3C(=O)NCc3c3c4ccccc4n(CCCN)c3c12

CN(C)CC(O)Cn1c2ccccc2c2c3CNC(=O)c3c3c4ccccc4n(C)c3c12

COc1ccc2n(C)c3c(c4C(=O)NCc4c4c5ccccc5n(CC(O)CN(C)C)c34)c2c1

Cn1c2ccccc2c2c3C(=O)NC(=O)c3c3c4ccccc4n(CCC#N)c3c12

COc1ccc2n(C)c3c(c4C(=O)NC(=O)c4c4c5ccccc5n(CCC#N)c34)c2c1

COc1ccc2n(C)c3c(c4C(=O)NC(=O)c4c4c5ccccc5n(CCCC#N)c34)c2c1

CN(C)CC(O)Cn1c2ccccc2c2c3C(=O)NC(=O)c3c3c4ccccc4n(C)c3c12

COc1ccc2n(C)c3c(c4C(=O)NC(=O)c4c4c5ccccc5n(CC(O)CN(C)C)c34)c2c1

OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OC1C2CCC(C2)C1NC(=O)c1ccc(O)cc1 |THB:22:23:25.26:28,30:29:25.26:28|

CN1[C@@H]2CCC1C(NC(=O)c1ccc(O)cc1)[C@H](C2)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1 |r,TLB:19:17:3.4:1,0:1:3.4:6.17.18,THB:7:6:3.4:1|

OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@H]1C2CC[N@@](CC2)CC1NC(=O)c1ccc(O)cc1 |wU:23.24,wD:27.28,(10.28,-8.36,;9.72,-9.8,;10.68,-11,;8.2,-10.03,;7.63,-11.46,;6.11,-11.69,;5.15,-10.49,;5.71,-9.05,;4.23,-8.64,;7.24,-8.82,;7.8,-7.39,;9.32,-7.16,;6.84,-6.18,;5.32,-6.41,;4.75,-7.85,;4.36,-5.21,;4.92,-3.78,;6.44,-3.55,;7.4,-4.75,;8.92,-4.52,;3.96,-2.57,;2.44,-2.8,;4.52,-1.14,;3.56,.06,;2.06,-.28,;.86,.68,;.86,2.22,;2.06,3.18,;2.35,2.03,;2.35,.88,;3.56,2.84,;4.23,1.45,;5.77,1.45,;6.54,2.79,;5.77,4.12,;8.08,2.79,;8.85,4.12,;10.39,4.12,;11.16,2.79,;12.7,2.79,;10.39,1.45,;8.85,1.45,)|

OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@H]1C2CC[N@@](CC2)CC1NC(=O)c1ccc(O)cc1

OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1C2CC(C3CCCC23)[C@H]1NC(=O)c1ccc(O)cc1 |r|

OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@H]1C2CC(C3CCCC23)[C@H]1NC(=O)c1ccc(O)cc1 |r|

CC1(C)C2CCC1(C)C(OC(=O)c1cc(O)c(C(=O)c3c(O)cccc3C(O)=O)c(O)c1)C2NC(=O)c1ccc(O)cc1 |TLB:9:8:5.4:1,33:32:5.4:1|

OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCNC[C@H]1NC(=O)c1ccc(O)cc1 |r|

OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCCC[C@H]1NC(=O)c1ccc(O)cc1 |r|

OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCNC[C@H]1NC(=O)c1ccc(O)cc1 |r|

Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCO)c3ccccc23)c2ccccc12 |t:4|

Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCO)c3ccccc23)c2ccccc12 |t:4|

Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCCO)c3ccccc23)c2ccccc12 |t:4|

Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCCCO)c3ccccc23)c2ccccc12 |t:4|

Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCN)c3ccccc23)c2ccccc12 |t:4|

Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCCN)c3ccccc23)c2ccccc12 |t:4|

Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCCCN)c3ccccc23)c2ccccc12 |t:4|

CNCCCn1cc(C2=C(C(=O)NC2=O)c2cn(C)c3ccccc23)c2ccccc12 |t:8|

Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCC[N+](C)(C)C)c3ccccc23)c2ccccc12 |t:4|

Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCSC(N)=N)c3ccccc23)c2ccccc12 |t:4|

[H]/N=C(/N)\SCCCn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C

Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCCSC(N)=N)c3ccccc23)c2ccccc12 |t:4|

Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCCCSC(N)=N)c3ccccc23)c2ccccc12 |t:4|

Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCN=C(N)N[N+]([O-])=O)c3ccccc23)c2ccccc12 |w:17.17,t:4|

[#6]-n1cc(-[#6]-2=[#6](-[#6](=O)-[#7]-[#6]-2=O)-c2cn(-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])c3ccccc23)c2ccccc12 |t:4|

Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCCC(N)=N)c3ccccc23)c2ccccc12 |t:4|

OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OCCNC(=O)c1ccc(O)cc1

c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)O[C@@H]3CCCNC[C@H]3NC(=O)c4ccc(cc4)O)O)C(=O)O

OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OC1CCCC1NC(=O)c1ccc(O)cc1

Cc1ccc(cc1)S(=O)(=O)N1CCC[C@@H](OC(=O)c2cc(O)c(C(=O)c3c(O)cccc3C(O)=O)c(O)c2)[C@@H](C1)NC(=O)c1ccc(O)cc1 |r|

OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OCC(Cc1ccc(O)cc1)NS(=O)(=O)c1ccccc1

OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OC[C@H](Cc1ccc(O)cc1)NS(=O)(=O)c1ccccc1 |r|

OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OC[C@@H](Cc1ccc(O)cc1)NS(=O)(=O)c1ccccc1 |r|

CS(=O)(=O)NC(COC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1)Cc1ccc(O)cc1

OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OCC(Cc1ccc(O)cc1)NS(=O)(=O)c1ccc2ccccc2c1

OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OCC(Cc1ccc(O)cc1)NC(=O)c1ccccc1

CN(C)C(COC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1)Cc1ccc(O)cc1

CC(CCc1ccc(O)cc1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1

OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OCC(Cc1ccc(O)cc1)NC(=O)c1ccc(O)cc1

OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OCCCc1ccc(O)cc1

OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OCC(NS(=O)(=O)c1ccccc1)c1ccc(O)cc1

OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OCC(COc1ccc(O)cc1)NS(=O)(=O)c1ccccc1

OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OCCCCc1ccc(O)cc1

OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1Cc1ccc(O)cc1 |r|

OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@@H]1Cc1ccc(O)cc1 |r|

OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CNC[C@H]1Cc1ccc(O)cc1 |r|

OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1Oc1ccc(O)cc1 |r|

COC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OC[C@H](Cc1ccc(O)cc1)NS(=O)(=O)c1ccccc1 |r|

COC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1Cc1ccc(O)cc1 |r|

COC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CNC[C@H]1Cc1ccc(O)cc1 |r|

OC(=O)c1ccccc1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCNC[C@H]1NC(=O)c1ccc(O)cc1 |r|

OC(=O)[C@H]1CCCC[C@H]1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCNC[C@H]1NC(=O)c1ccc(O)cc1 |r|

OC(=O)[C@@H]1CCCC[C@H]1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCNC[C@H]1NC(=O)c1ccc(O)cc1 |r|

Oc1ccc(cc1)C(=O)N[C@@H]1CNCCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2ccccc2O)c(O)c1 |r|

Oc1ccc(cc1)C(=O)N[C@@H]1CNCCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2O)c(O)c1 |r|

COc1cccc(OC)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCNC[C@H]1NC(=O)c1ccc(O)cc1 |r|

OC(=O)c1cccc2oc3cc(cc(O)c3c(=O)c12)C(=O)O[C@@H]1CCCNC[C@H]1NC(=O)c1ccc(O)cc1 |r|

Oc1ccc(cc1)C(=O)N[C@@H]1CNC[C@H]1OC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 |r|

OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CNC[C@H]1NC(=O)c1ccc(O)cc1 |r|

OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1 |r|

OC(=O)c1cccc(O)c1C(=O)c1ccc(cc1O)C(=O)O[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1 |r|

OC(=O)c1cccc(O)c1C(=O)c1ccc(cc1)C(=O)O[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1 |r|

COc1cc(cc(OC)c1C(=O)c1c(O)cccc1O)C(=O)O[C@@H]1CCCNC[C@H]1NC(=O)c1ccc(O)cc1 |r|

OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(CO[C@@H]2CCC[C@H]2NC(=O)c2ccc(O)cc2)cc1O |r|

OC(=O)c1ccccc1NC(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CNC[C@H]1NC(=O)c1ccc(O)cc1 |r|

OC(=O)CN(C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CNC[C@H]1NC(=O)c1ccc(O)cc1)c1ccccc1 |r|

OC(=O)c1cccc(O)c1Cc1c(O)cc(cc1O)C(=O)O[C@@H]1CCCNC[C@H]1NC(=O)c1ccc(O)cc1 |r|

Oc1ccc(cc1)C(=O)N[C@@H]1CNCCC[C@H]1OC(=O)c1cc(O)c(C2OC(=O)c3cccc(O)c23)c(O)c1 |r|

OC(=O)c1ccc2ccccc2c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CNC[C@H]1NC(=O)c1ccc(O)cc1 |r|

Oc1ccc(cc1)C(=O)N[C@@H]1CNC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)ccc3ccccc23)c(O)c1 |r|

Oc1ccc(cc1)C(=O)N[C@@H]1CNCCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2ccc3ccccc3c2O)c(O)c1 |r|

Oc1ccc(cc1)C(=O)N[C@@H]1CNC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)ccc3CCCCc23)c(O)c1 |r|

COc1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCNC[C@H]1NC(=O)c1ccc(O)cc1 |r|

Oc1ccc(cc1)C(=O)N[C@@H]1CCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C#N)c(O)c1 |r|

NCCOc1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1 |r|

OC(=O)COc1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1 |r|

Oc1ccc(cc1)C(=O)N[C@@H]1CCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2NS(=O)(=O)C(F)(F)F)c(O)c1 |r|

Oc1ccc(cc1)C(=O)N[C@@H]1CCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2-c2nnn[nH]2)c(O)c1 |r|

Cn1nnc(n1)-c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1 |r|

Cn1nnnc1-c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1 |r|

c1c2c-3c(c(c1O)O)OC(=O)c4c3c(c(c(c4)O)O)OC2=O

Oc1cc2[nH]c(=O)c3cc(O)c(O)cc3c2cc1O

Oc1ccc2c3cc(O)c(O)cc3[nH]c(=O)c2c1O

CCn1c2cc(O)c(O)cc2c2cc(O)c(O)cc2c1=O

CCn1c2cc(O)c(O)cc2c2ccc(O)c(O)c2c1=O

Oc1cc2n(Cc3ccccc3)c(=O)c3cc(O)c(O)cc3c2cc1O

Oc1cc2n(Cc3ccccc3)c(=O)c3c(O)c(O)ccc3c2cc1O

Oc1cc2n(Cc3ccc(cc3)[N+]([O-])=O)c(=O)c3cc(O)c(O)cc3c2cc1O

Oc1ccc2c3cc(O)c(O)cc3n(Cc3ccc(cc3)[N+]([O-])=O)c(=O)c2c1O

Oc1cc2n(Cc3ccc(Cl)c(Cl)c3)c(=O)c3cc(O)c(O)cc3c2cc1O

Oc1ccc2c3cc(O)c(O)cc3n(Cc3ccc(Cl)c(Cl)c3)c(=O)c2c1O

Oc1cc2n(Cc3ccc(cc3)S(=O)(=O)c3ccccc3)c(=O)c3cc(O)c(O)cc3c2cc1O

Oc1ccc2c3cc(O)c(O)cc3n(Cc3ccc(cc3)S(=O)(=O)c3ccccc3)c(=O)c2c1O

Oc1cc2[nH]c3cc(O)c(O)cc3c2cc1O

Oc1ccc2c([nH]c3cc(O)c(O)cc23)c1O

Oc1cc2[nH]c3c(O)c(O)cc(Br)c3c2cc1O

Oc1cc2n(Cc3ccccc3)c3cc(O)c(O)cc3c2cc1O

Oc1cc2n(Cc3ccccc3)c3c(O)c(O)ccc3c2cc1O

Oc1cc2n(C(=O)c3ccccc3)c3cc(O)c(O)cc3c2cc1O

Oc1cc2n(C(=O)c3ccccc3)c3c(O)c(O)ccc3c2cc1O

Oc1cc2n(Cc3cccnc3)c3cc(O)c(O)cc3c2cc1O

Oc1ccc2c3cc(O)c(O)cc3n(CCCc3ccccc3)c2c1O

Oc1cc2n(Cc3ccc(cc3)C#N)c3c(O)c(O)ccc3c2cc1O

Oc1cc2n(Cc3ccc(cc3)C#N)c3c(O)c(O)cc(Br)c3c2cc1O

Oc1cc2n(Cc3ccc(cc3)C(F)(F)F)c3c(O)c(O)ccc3c2cc1O

Oc1cc2n(Cc3c(Cl)cccc3Cl)c3c(O)c(O)ccc3c2cc1O

Oc1cc2n(Cc3ccc(Br)cc3)c3c(O)c(O)ccc3c2cc1O

Cc1cccc(Cn2c3cc(O)c(O)cc3c3ccc(O)c(O)c23)c1

Oc1cc2n(Cc3ccc(cc3)S(=O)(=O)c3ccccc3)c3c(O)c(O)ccc3c2cc1O

Oc1cc2n(C(=O)c3ccc(Br)cc3)c3c(O)c(O)ccc3c2cc1O

Oc1cc2n(C(=O)c3ccc(cc3)-c3ccccc3)c3c(O)c(O)ccc3c2cc1O

Oc1ccc2c3cc(O)c(O)cc3n(C(=O)c3ccc4ccccc4c3)c2c1O

Oc1ccc2c(c1O)n(C(=O)c1cccc(c1)[N+]([O-])=O)c1cc(O)c(O)cc21

Oc1cc2n(C(=O)c3ccc(cc3)C(F)(F)F)c3c(O)c(O)ccc3c2cc1O

Oc1cc2n(C(=O)c3ccc(cc3)C(F)(F)F)c3c(O)c(O)cc(Br)c3c2cc1O

CC(C)(C)c1ccc(cc1)C(=O)n1c2cc(O)c(O)cc2c2ccc(O)c(O)c12

CC(C)(C)c1ccc(cc1)C(=O)n1c2cc(O)c(O)cc2c2c(Br)cc(O)c(O)c12

CS(=O)(=O)c1ccc(cc1)C(=O)n1c2cc(O)c(O)cc2c2ccc(O)c(O)c12

CS(=O)(=O)c1ccc(cc1)C(=O)n1c2cc(O)c(O)cc2c2c(Br)cc(O)c(O)c12

Oc1ccc2c3cc(O)c(O)cc3n(C(=O)CCc3ccccc3)c2c1O

Oc1cc2n(c3cc(O)c(O)cc3c2cc1O)S(=O)(=O)c1ccccc1

Oc1ccc2c3cc(O)c(O)cc3n(c2c1O)S(=O)(=O)c1ccccc1

Oc1cc2n(c3c(O)c(O)ccc3c2cc1O)S(=O)(=O)c1cc(Cl)ccc1Cl

Oc1cc2n(c3c(O)c(O)ccc3c2cc1O)S(=O)(=O)Cc1ccccc1

Oc1ccc2c(c1O)n(c1cc(O)c(O)cc21)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O

OCCCNc1cncc(c1)-c1cncc(Nc2cccc(Cl)c2)n1

O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1n3CCNCc4cccc(c34)c21

Fc1ccc2[nH]c3c(c4C(=O)NC(=O)c4c4c5cccc6CNCCn(c56)c34)c2c1

Fc1ccc2c(c1)[nH]c1c2c2C(=O)NC(=O)c2c2c3cccc4CNCCn(c34)c12

Fc1cc2[nH]c3c(c4C(=O)NC(=O)c4c4c5cccc6CNCCn(c56)c34)c2cc1F

FC(F)(F)c1ccc2c(c1)[nH]c1c2c2C(=O)NC(=O)c2c2c3cccc4CNCCn(c34)c12

CS(=O)(=O)N1CCn2c3c(C1)cccc3c1c3C(=O)NC(=O)c3c3c4ccccc4[nH]c3c21

Cn1cnc(c1)S(=O)(=O)N1CCn2c3c(C1)cccc3c1c3C(=O)NC(=O)c3c3c4ccccc4[nH]c3c21

NCC(=O)N1CCn2c3c(C1)cccc3c1c3C(=O)NC(=O)c3c3c4ccccc4[nH]c3c21

CC(C)N1CCn2c3c(C1)cccc3c1c3C(=O)NC(=O)c3c3c4ccccc4[nH]c3c21

O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1n3CCCCNCc4cccc(c34)c21

OCC1CCc2cccc3c4c5C(=O)NC(=O)c5c5c6ccccc6[nH]c5c4n1c23

OCC1Cc2cccc3c4c5C(=O)NC(=O)c5c5c6ccccc6[nH]c5c4n(C1)c23

OCC1CCn2c3c1cccc3c1c3C(=O)NC(=O)c3c3c4ccccc4[nH]c3c21

OCC1CCc2cccc3c4c5C(=O)NC(=O)c5c5c6ccc(F)cc6[nH]c5c4n1c23

OCC1Cc2cccc3c4c5C(=O)NC(=O)c5c5c6ccc(F)cc6[nH]c5c4n(C1)c23

OCC1Cc2cccc3c4c5C(=O)NC(=O)c5c5c6ccc(Br)cc6[nH]c5c4n(C1)c23

OCC1Cc2cccc3c4c5C(=O)NC(=O)c5c5c6ccc(cc6[nH]c5c4n(C1)c23)C(F)(F)F

COc1ccc2c(c1)[nH]c1c2c2C(=O)NC(=O)c2c2c3cccc4CC(CO)Cn(c34)c12

OCC1CCc2cccc3c4c5C(=O)NC(=O)c5c5c(ccc6ccccc56)c4n1c23

OCC1Cc2cccc3c4c5C(=O)NC(=O)c5c5c(ccc6ccccc56)c4n(C1)c23

CNCC1Cc2cccc3c4c5C(=O)NC(=O)c5c5c6ccc(F)cc6[nH]c5c4n(C1)c23

Cn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3cc(F)ccc23)c2ccccc12 |t:4|

Cn1c2ccccc2c2c3C(=O)NC(=O)c3c3c4ccc(F)cc4[nH]c3c12

Cn1c2ccccc2c2c3C(=O)NC(=O)c3c3c4ccc(Br)cc4[nH]c3c12

OCCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:7|

OCCCn1c2ccccc2c2c3C(=O)NC(=O)c3c3c4ccccc4[nH]c3c12

CNCCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:8|

CNCCCn1c2ccccc2c2c3C(=O)NC(=O)c3c3c4ccccc4[nH]c3c12

Cn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:4|

Cn1c2ccccc2c2c3C(=O)NC(=O)c3c3c4ccccc4[nH]c3c12

COc1ccc2c(c1)[nH]c1c3[nH]c4cc(OC)ccc4c3c3C(=O)NC(=O)c3c21

Cn1cc(C2=C(C(=O)NC2=O)c2cn(CC(O)CO)c3ccccc23)c2ccccc12 |t:4|

Cn1c2ccccc2c2c3C(=O)NC(=O)c3c3c4ccccc4n(CC(O)CO)c3c12

O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1ccc3cc[nH]c3c21

Cn1ccc2ccc3c4[nH]c5ccccc5c4c4C(=O)NC(=O)c4c3c12

CCn1ccc2ccc3c4[nH]c5ccccc5c4c4C(=O)NC(=O)c4c3c12

Cn1ccc2ccc3c4[nH]c5cccc(F)c5c4c4C(=O)NC(=O)c4c3c12

Cn1ccc2ccc3c4[nH]c5cccc(Br)c5c4c4C(=O)NC(=O)c4c3c12

Cn1ccc2ccc3c4[nH]c5cccc(CO)c5c4c4C(=O)NC(=O)c4c3c12

Cn1ccc2ccc3c4[nH]c5ccc(F)cc5c4c4C(=O)NC(=O)c4c3c12

Cc1ccc2[nH]c3c(c4C(=O)NC(=O)c4c4c5n(C)ccc5ccc34)c2c1

COc1ccc2[nH]c3c(c4C(=O)NC(=O)c4c4c5n(C)ccc5ccc34)c2c1

Cn1ccc2ccc3c4[nH]c5cc(F)ccc5c4c4C(=O)NC(=O)c4c3c12

Cn1ccc2ccc3c4[nH]c5cc(Br)ccc5c4c4C(=O)NC(=O)c4c3c12

Cn1ccc2ccc3c4[nH]c5cc(ccc5c4c4C(=O)NC(=O)c4c3c12)C(F)(F)F

Cn1ccc2ccc3c4[nH]c5cc(ccc5c4c4C(=O)NC(=O)c4c3c12)C#N

Cc1ccc2c(c1)[nH]c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12

CCc1ccc2c(c1)[nH]c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12

Oc1ccc2c(c1)[nH]c1c2c2C(=O)NC(=O)c2c2c3[nH]ccc3ccc12

Cn1ccc2ccc3c4[nH]c5cc(O)ccc5c4c4C(=O)NC(=O)c4c3c12

COc1ccc2c(c1)[nH]c1c2c2C(=O)NC(=O)c2c2c3[nH]ccc3ccc12

COc1ccc2c(c1)[nH]c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12

CCOc1ccc2c(c1)[nH]c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12

Cn1ccc2ccc3c4[nH]c5cc(OCc6ccccc6)ccc5c4c4C(=O)NC(=O)c4c3c12

COc1cccc2c1[nH]c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12

Cn1ccc2ccc3c4[nH]c5c(CCO)cccc5c4c4C(=O)NC(=O)c4c3c12

Cn1ccc2ccc3c4[nH]c5c(CCCO)cccc5c4c4C(=O)NC(=O)c4c3c12

Cc1cc2ccn(C)c2c2c3C(=O)NC(=O)c3c3c4ccccc4[nH]c3c12

Cn1ccc2cc(F)c3c4[nH]c5ccccc5c4c4C(=O)NC(=O)c4c3c12

COc1cc2c3[nH]c4ccccc4c3c3C(=O)NC(=O)c3c2c2n(C)ccc12

Cc1cc2ccn(C)c2c2c3C(=O)NC(=O)c3c3c4ccc(F)cc4[nH]c3c12

COc1ccc2c(c1)[nH]c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3cc(C)c12

Cc1cc2ccn(C)c2c2c3C(=O)NC(=O)c3c3c4ccc(cc4[nH]c3c12)C(F)(F)F

OCCCn1c2ccccc2c2c3C(=O)NC(=O)c3c3c4[nH]ccc4ccc3c12

Cn1ccc2ccc3c4n(CCCO)c5ccccc5c4c4C(=O)NC(=O)c4c3c12

CCn1ccc2ccc3c4n(CCCO)c5ccccc5c4c4C(=O)NC(=O)c4c3c12

COc1ccc2c(c1)n(CCO)c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12

COc1ccc2c(c1)n(CCCO)c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12

Cc1cc2ccn(C)c2c2c3C(=O)NC(=O)c3c3c4ccccc4n(C)c3c12

Cc1cc2ccn(C)c2c2c3C(=O)NC(=O)c3c3c4ccccc4n(CCCCO)c3c12

COc1ccc2c(c1)n(CCN1CCC[C@H]1CO)c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12 |r|

COc1ccc2c(c1)n(CCN1CCCCC1)c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12

COc1ccc2c(c1)n(CCNCCO)c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12

COc1ccc2c(c1)n(CCN[C@H]1CC[C@H](O)CC1)c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12 |r,wU:15.16,wD:12.12,(-7.72,-2.27,;-7.56,-.74,;-6.15,-.12,;-5.99,1.42,;-4.58,2.04,;-3.34,1.14,;-3.5,-.4,;-4.91,-1.02,;-2.09,-1.02,;-1.77,-2.53,;-2.92,-3.56,;-2.6,-5.06,;-3.74,-6.1,;-5.07,-5.33,;-6.41,-6.1,;-6.41,-7.64,;-7.74,-8.41,;-5.07,-8.41,;-3.74,-7.64,;-1.06,.12,;-1.83,1.46,;-1.06,2.79,;-1.54,4.25,;-3,4.73,;-.29,5.16,;.95,4.25,;2.42,4.73,;.48,2.79,;1.25,1.46,;2.79,1.46,;3.82,2.6,;3.5,4.11,;5.23,1.97,;5.06,.44,;3.56,.12,;2.79,-1.21,;1.25,-1.21,;.48,.12,)|

COc1ccc2c(c1)n(CCCN1CCC(CC1)C(N)=O)c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12

COc1ccc2c(c1)n(CCCN1CCC(O)CC1)c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12

COc1ccc2c(c1)n(CCCN1CCN(C)CC1)c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12

COc1ccc2c(c1)n(CCCNCCO)c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12

COc1ccc2c(c1)n(CCCN1CCOCC1)c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12

COc1ccc2c(c1)n(CCCN1CCSCC1)c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12

COC(=O)C1CCN(CCc2cccc3c2[nH]c2c3c3C(=O)NC(=O)c3c3c4n(C)ccc4ccc23)CC1

Cn1ccc2ccc3c4[nH]c5c(CCN6CCC(CC6)C(N)=O)cccc5c4c4C(=O)NC(=O)c4c3c12

Cn1ccc2ccc3c4[nH]c5c(CCN6CCNCC6)cccc5c4c4C(=O)NC(=O)c4c3c12

Cn1ccc2ccc3c4[nH]c5c(CCN6CCC(O)CC6)cccc5c4c4C(=O)NC(=O)c4c3c12

Cn1ccc2ccc3c4[nH]c5c(CCN6CCC[C@H]6CO)cccc5c4c4C(=O)NC(=O)c4c3c12 |r|

Cn1ccc2ccc3c4[nH]c5c(CCN6CCCCC6)cccc5c4c4C(=O)NC(=O)c4c3c12

Cn1ccc2ccc3c4[nH]c5c(CCNCCO)cccc5c4c4C(=O)NC(=O)c4c3c12

Cn1ccc2ccc3c4[nH]c5c(CCN6CCOCC6)cccc5c4c4C(=O)NC(=O)c4c3c12

Cn1ccc2ccc3c4[nH]c5c(CCN6CCSCC6)cccc5c4c4C(=O)NC(=O)c4c3c12

Cn1ccc2ccc3c4[nH]c5c(CCN[C@H]6CC[C@H](O)CC6)cccc5c4c4C(=O)NC(=O)c4c3c12 |r,wU:18.18,wD:15.14,(3.5,4.11,;3.82,2.6,;5.23,1.97,;5.06,.44,;3.56,.12,;2.79,-1.21,;1.25,-1.21,;.48,.12,;-1.06,.12,;-2.09,-1.02,;-3.5,-.4,;-4.91,-1.02,;-5.07,-2.55,;-6.44,-3.25,;-6.52,-4.79,;-7.89,-5.49,;-9.23,-4.72,;-10.56,-5.49,;-10.56,-7.03,;-11.89,-7.8,;-9.23,-7.8,;-7.89,-7.03,;-6.15,-.12,;-5.99,1.42,;-4.58,2.04,;-3.34,1.14,;-1.83,1.46,;-1.06,2.79,;-1.54,4.25,;-3,4.73,;-.29,5.16,;.95,4.25,;2.42,4.73,;.48,2.79,;1.25,1.46,;2.79,1.46,)|

CN1CCN(CCCc2cccc3c2[nH]c2c3c3C(=O)NC(=O)c3c3c4n(C)ccc4ccc23)CC1

Cn1ccc2ccc3c4[nH]c5c(CCCNCCO)cccc5c4c4C(=O)NC(=O)c4c3c12

Cn1ccc2ccc3c4[nH]c5c(CCCN6CCOCC6)cccc5c4c4C(=O)NC(=O)c4c3c12

CCN(CC)CCCc1cccc2c1[nH]c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12

Cn1ccc2ccc3c4[nH]c5c(CCCN[C@H]6CC[C@H](O)CC6)cccc5c4c4C(=O)NC(=O)c4c3c12 |r,wU:19.19,wD:16.15,(3.5,4.11,;3.82,2.6,;5.23,1.97,;5.06,.44,;3.56,.12,;2.79,-1.21,;1.25,-1.21,;.48,.12,;-1.06,.12,;-2.09,-1.02,;-3.5,-.4,;-4.91,-1.02,;-5.07,-2.55,;-6.44,-3.25,;-6.84,-4.74,;-8.32,-5.14,;-9.66,-4.37,;-9.66,-2.83,;-10.99,-2.06,;-12.33,-2.83,;-13.66,-2.06,;-12.33,-4.37,;-10.99,-5.14,;-6.15,-.12,;-5.99,1.42,;-4.58,2.04,;-3.34,1.14,;-1.83,1.46,;-1.06,2.79,;-1.54,4.25,;-3,4.73,;-.29,5.16,;.95,4.25,;2.42,4.73,;.48,2.79,;1.25,1.46,;2.79,1.46,)|

Brc1cccc2[nH]c3c4[nH]c5ccccc5c4c4C(=O)NC(=O)c4c3c12

Brc1ccc2[nH]c3c4[nH]c5ccccc5c4c4C(=O)NC(=O)c4c3c2c1

Brc1ccc2c(c1)[nH]c1c3[nH]c4ccccc4c3c3C(=O)NC(=O)c3c21

Brc1cccc2c1[nH]c1c3[nH]c4ccccc4c3c3C(=O)NC(=O)c3c21

Fc1ccc2c(c1)[nH]c1c3[nH]c4ccccc4c3c3C(=O)NC(=O)c3c21

Clc1ccc2c(c1)[nH]c1c3[nH]c4ccccc4c3c3C(=O)NC(=O)c3c21

Cc1ccc2c(c1)[nH]c1c3[nH]c4ccccc4c3c3C(=O)NC(=O)c3c21

FC(F)(F)c1ccc2c(c1)[nH]c1c3[nH]c4ccccc4c3c3C(=O)NC(=O)c3c21

COc1ccc2c(c1)[nH]c1c3[nH]c4ccccc4c3c3C(=O)NC(=O)c3c21

COc1ccc2c(c1)[nH]c1c3[nH]c4cc(Br)ccc4c3c3C(=O)NC(=O)c3c21

c1cc(c(c(c1)F)C(=O)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N)F

Cc1ccc(F)c(C(=O)n2nc(Nc3ccc(cc3)S(N)(=O)=O)nc2N)c1F

Cc1ccsc1C(=O)n1nc(Nc2ccc(cc2)S(N)(=O)=O)nc1N

c1cc(c(c(c1)F)NC(=S)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N)F

CN1C(=O)N(C(=O)S1)Cc2ccccc2

CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|

Nc1nccc(n1)-c1c[nH]c2cccc(O)c12

Nc1nccc(n1)-c1c[nH]c2cc(Br)cc(O)c12

Nc1nccc(n1)-c1c[nH]c2ccc(Br)cc12

Nc1nccc(n1)-c1c[nH]c2cc(Br)ccc12

Nc1nccc(n1)-c1c[nH]c2c(Br)ccc(O)c12

Nc1nccc(n1)-c1c[nH]c2cc(Br)c(Br)cc12

Nc1nccc(n1)-c1c[nH]c2ccccc12

Nc1nccc(n1)-c1cc2cc(Br)ccc2[nH]1

Nc1nccc(n1)-c1cc2ccccc2[nH]1

CN(C)c1ccc(O)c(c1)C(=O)c1ccc(cc1)C(=O)N[C@@H]1CCCNC[C@H]1NC(=O)c1ccncc1 |r|

CC1(C)CCCNC1c1ccc(O)c(C(=O)c2ccc(cc2)C(=O)N[C@@H]2CCCNC[C@H]2NC(=O)c2ccncc2)c1F |r|

Oc1ccc(cc1C(=O)c1ccc(cc1)C(=O)N[C@@H]1CCCNC[C@H]1NC(=O)c1ccncc1)N1CCCCC1 |r|

CC1(C)CCCN(C1)c1ccc(O)c(c1)C(=O)c1ccc(cc1)C(=O)N[C@@H]1CCCNC[C@H]1NC(=O)c1ccncc1 |r|

CC1(C)CCN(CC1)c1ccc(O)c(c1)C(=O)c1ccc(cc1)C(=O)N[C@@H]1CCCNC[C@H]1NC(=O)c1ccncc1 |r|

COc1ccc(O)c(C(=O)c2ccc(cc2)C(=O)O[C@@H]2CCCNC[C@H]2NC(=O)c2ccncc2)c1F |r|

COc1ccc(O)c(C(=O)c2ccc(cc2)C(=O)N[C@@H]2CCCNC[C@H]2NC(=O)c2ccncc2)c1F |r|

COc1ccc(O)c(C(=O)c2ccc(CO[C@@H]3CCCNC[C@H]3NC(=O)c3ccncc3)cc2)c1F |r|

COc1ccc(O)c(C(=O)c2ccc(NC[C@@H]3CCCNC[C@H]3NC(=O)c3ccncc3)cc2)c1F |r|

COc1ccc(O)c(C(=O)c2ccc(CN[C@@H]3CCCNC[C@H]3NC(=O)c3ccncc3)cc2)c1F |r|

COc1ccc(O)c(C(=O)c2ccc(\C=C\[C@@H]3CCCNC[C@H]3NC(=O)c3ccncc3)cc2)c1F |r|

c1cc2cnccc2c(c1)S(=O)(=O)N3CCCNCC3

C[C@H]1CNCCCN1S(=O)(=O)c1cccc2cncc(C)c12 |r|

C[C@@H](N)[C@H]1CC[C@@H](CC1)C(=O)Nc1ccncc1 |r,wU:3.2,1.1,wD:6.9,(3.37,.47,;2.6,-.86,;3.37,-2.2,;1.06,-.86,;-.27,-1.63,;-1.61,-.86,;-1.61,.68,;-.27,1.45,;1.06,.68,;-2.94,1.45,;-2.94,2.99,;-4.27,.68,;-5.61,1.45,;-5.61,2.99,;-6.94,3.76,;-8.28,2.99,;-8.28,1.45,;-6.94,.68,)|

[H][C@@]12C[C@@](O)(C(=O)OCCCCCC)[C@@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|

O=c1[nH]ccc2c(cccc12)S(=O)(=O)N1CCCNCC1

COc1ccc(cc1)-c1oc2ncnc(NCCO)c2c1-c1ccc(OC)cc1

OCCNc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1

CN(CCO)c1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1

OC(=O)CNc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1

OCCNc1ncnc2[nH]c(c(-c3ccccc3)c12)-c1ccccc1

CC(O)CNc1ncnc2[nH]c(c(-c3ccccc3)c12)-c1ccccc1

OCC(O)CNc1ncnc2[nH]c(c(-c3ccccc3)c12)-c1ccccc1

N[C@H](COc1cncc(\C=C\c2ccncc2)c1)Cc1c[nH]c2ccccc12 |r|

N[C@H](COc1cncc(c1)-c1ccc2cnccc2c1)Cc1c[nH]c2ccccc12 |r|

Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|

Clc1ccccc1COCCNCCNS(=O)(=O)c1cccc2cnccc12

Clc1cccc(COCCNCCNS(=O)(=O)c2cccc3cnccc23)c1

c1cc2cnccc2c(c1)S(=O)(=O)NCCNCCOCc3ccc(cc3)Cl

O=S(=O)(NC1CCNCC1)c1cccc2cnccc12

N[C@H]1CC[C@@H](CC1)NS(=O)(=O)c1cccc2cnccc12 |r,wU:1.0,wD:4.7,(1.72,8.34,;.18,8.34,;-.59,7.01,;-2.13,7.01,;-2.9,8.34,;-2.13,9.68,;-.59,9.68,;-4.44,8.34,;-5.78,7.57,;-5.78,9.11,;-7.26,7.97,;-5.78,6.03,;-7.11,5.26,;-7.11,3.72,;-5.78,2.95,;-4.44,3.72,;-3.11,2.95,;-1.77,3.72,;-1.77,5.26,;-3.11,6.03,;-4.44,5.26,)|

Clc1ccc(COC[C@@H]2C[C@@H](CN2)NS(=O)(=O)c2cccc3cnccc23)cc1 |r|

Clc1ccc(CO[C@H]2CN[C@H](CNS(=O)(=O)c3cccc4cnccc34)C2)cc1 |r|

Clc1ccc(CO[C@@H]2CN[C@H](CNS(=O)(=O)c3cccc4cnccc34)C2)cc1 |r|

Cc1cncc2cccc(c12)S(=O)(=O)N[C@@H]1CN[C@H](COCc2ccc(Cl)cc2)C1 |r|

Clc1ccc(COC[C@@H]2C[C@@H](CN2)NS(=O)(=O)c2cccc3c2cc[nH]c3=O)cc1 |r|

CNCCNS(=O)(=O)c1cccc2c1ccnc2

c1cc2cnccc2c(c1)S(=O)(=O)NCCNC\C=C\c3ccc(cc3)Br

Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c1 |r|

CNCc1ccc(cc1)-c1ncnc2nc[nH]c12

CNCc1cccc(c1)-c1ncnc2nc[nH]c12

NC(Cc1ccccc1)c1ccc(cc1)-c1ncnc2nc[nH]c12

CNCC(c1ccc(Cl)cc1)c1ccc(cc1)-c1ncnc2nc[nH]c12

Clc1ccc(cc1)C1(CCNCC1)c1ccc(cc1)-c1ncnc2nc[nH]c12

Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2cccc(F)c2F)c1 |r|

Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccc(Br)cc2)c1 |r|

Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2cccc(c2)C(F)(F)F)c1 |r|

N[C@H](COc1cncc(c1)-c1cc2cn[nH]c2cn1)Cc1cccc(c1)C(F)(F)F |r|

N[C@H](COc1cncc(c1)-c1cc2c(Cl)n[nH]c2cn1)Cc1cccc(c1)C(F)(F)F |r|

Cc1n[nH]c2cnc(cc12)-c1cncc(OC[C@@H](N)Cc2cccc(c2)C(F)(F)F)c1 |r|

Cc1n[nH]c2cnc(cc12)-c1cncc(OC[C@@H](N)Cc2cccc(F)c2F)c1 |r|

Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2cccc(OCC3CCCCC3)c2)c1 |r|

COc1cc(ccc1O)-c1ccc2c(n[nH]c2c1)-c1nc2ccccc2[nH]1

c1ccc2[nH]c(nc2c1)-c1n[nH]c2ccccc12

NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]ccc12 |w:7.18,t:1|

N[C@H](COc1cncc(c1)-c1ccc2[nH]ncc2c1)Cc1c[nH]c2ccccc12 |r|

N[C@H](COc1cncc(c1)-c1ccc2[nH]nc(Cl)c2c1)Cc1c[nH]c2ccccc12 |r|

N[C@H](COc1cncc(c1)-c1ccc2[nH]nc(c2c1)C(F)(F)F)Cc1c[nH]c2ccccc12 |r|

N[C@H](COc1cncc(c1)-c1cc2c(Cl)n[nH]c2cc1N)Cc1c[nH]c2ccccc12 |r|

N[C@H](COc1cncc(c1)-c1cc2cn[nH]c2cn1)Cc1c[nH]c2ccccc12 |r|

Cc1n[nH]c2cnc(cc12)-c1cncc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c1 |r|

Cc1n[nH]c2cnc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|

N[C@H](COc1cncc(c1)-c1cc2c(Cl)n[nH]c2cn1)Cc1ccccc1 |r|

N[C@H](COc1cncc(c1)-c1cc2c(C=C)n[nH]c2cn1)Cc1ccccc1 |r|

N[C@H](COc1cncc(c1)-c1cc2c(n[nH]c2cn1)-c1ccco1)Cc1ccccc1 |r|

N[C@H](COc1cncc(c1)-c1cc2c(n[nH]c2cn1)-c1ccccc1)Cc1ccccc1 |r|

N[C@H](COc1cnc(Cl)c(c1)-c1ccc2cnccc2c1)Cc1c[nH]c2ccccc12 |r|

N[C@H](COc1cnc(C#C)c(c1)-c1ccc2cnccc2c1)Cc1c[nH]c2ccccc12 |r|

N[C@H](COc1cncc(c1)-c1ccc2cnc(F)cc2c1)Cc1c[nH]c2ccccc12 |r|

N[C@H](COc1cncc(c1)-c1ccc2cnc(N)cc2c1)Cc1c[nH]c2ccccc12 |r|

O=C(Nc1nc(cs1)-c1ccncc1)C1COc2ccccc2O1

O=C(Nc1ccc(cc1)-c1ccncc1)C1COc2ccccc2O1

O=C(Nc1ccc(cc1)-c1cn[nH]c1)C1COc2ccccc2O1

COc1cc(ccc1NC(=O)C1COc2ccccc2O1)-c1cn[nH]c1

CN(C)CCOc1cc(ccc1NC(=O)C1COc2ccccc2O1)-c1cn[nH]c1

[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H]-1-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-1-[#8])-n1cnc2c(-[#7])ncnc12)-[#6](-[#7])=O |r|

NC(=O)CCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|

[#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H]-1-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-1-[#8])-n1cnc2c(-[#7])ncnc12)-[#6](-[#7])=O |r|

[#7]-[#6]-[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H]-1-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-1-[#8])-n1cnc2c(-[#7])ncnc12)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#7])=O |r|

[#7]-[#6]-[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H]-1-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-1-[#8])-n1cnc2c(-[#7])ncnc12)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O |r|

[#7]-[#6]-[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H]-1-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-1-[#8])-n1cnc2c(-[#7])ncnc12)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O |r|

[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H]-1-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-1-[#8])-n1cnc2c(-[#7])ncnc12)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O |r|

[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6@@H](-[#8])-[#6@@H](-[#6]-1)-n1cnc2c(-[#7])ncnc12)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O |r|

Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCCCCCC(O)=O |r|

NC(=O)CCCNC(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|

NC(=O)CCCCCNC(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|

NCCCC[C@@H](NC(=O)CCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(N)=O |r|

NCCNC(=O)CCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|

NCCCNC(=O)CCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|

NCCCCNC(=O)CCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|

Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCCCCCC(=O)NCCO |r|

Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCCCCCC(=O)NCc1ccccc1 |r|

NC(=O)[C@H](Cc1ccc(cc1)C(=O)c1ccccc1)NC(=O)CCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|

NC(=O)[C@@H](Cc1ccc(cc1)C(=O)c1ccccc1)NC(=O)CCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|

[#7]-[#6]-[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H]-1-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-1-[#8])-n1cnc2c(-[#7])ncnc12)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#7])=O |r|

[#7]-[#6]-[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H]-1-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-1-[#8])-n1cnc2c(-[#7])ncnc12)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#7])=O |r|

[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H]-1-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-1-[#8])-n1cnc2c(-[#7])ncnc12)-[#6](-[#7])=O |r|

[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H]-1-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-1-[#8])-n1cnc2c(-[#7])ncnc12)-[#6](-[#7])=O |r|

[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H]-1-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-1-[#8])-n1cnc2c(-[#7])ncnc12)-[#6](-[#7])=O |r|

[#7]-[#6]-[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H]-1-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-1-[#8])-n1cnc2c(-[#7])ncnc12)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O |r|

[#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H]-1-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-1-[#8])-n1cnc2c(-[#7])ncnc12)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O |r|

[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H]-1-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-1-[#8])-n1cnc2c(-[#7])ncnc12)-[#6](-[#7])=O |r|

[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-[#7]S(=O)(=O)c1cccc2cnccc12)-[#6](-[#7])=O |r|

[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6@@H](-[#8])-[#6@@H](-[#6]-1)-n1cnc2c(-[#7])ncnc12)-[#6](-[#7])=O |r|

Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1

CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1

CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|

[H][C@@]12C[C@@H]([C@H](OC)[C@@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |TLB:11:10:9:4.3.2,17:33:9:4.3.2,THB:24:32:9:4.3.2,5:4:9:10.31.33.32,30:31:9:4.3.2|

Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1

CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13

COc1ccccc1CNC(=O)Cn1nnc(n1)-c1ccncc1

O=C(Cn1nnc(n1)-c1ccncc1)N1CCc2ccccc12

Fc1ccccc1Cn1nnc2c(ncnc12)-n1ccnc1

CCc1cc2c(s1)N=CNC2=O

Cc1cccc(NC(=O)CSc2nnc([nH]2)-c2ccncc2)c1

O=C(CSc1nnc([nH]1)-c1ccncc1)c1ccccc1

CCN1CCN(Cc2nnnn2C(C)(C)C)CC1

C(c1ccccc1)n1ncc2c1ncn1c(nnc21)-c1ccncc1

O=C(CCCOc1ccccc1)Nc1ccncc1

COc1ccc2c(Cl)c(sc2c1)C(N)=O

CCCN(C(=O)c1cccs1)c1nnc(s1)-c1ccncc1

CCn1c(SCC(=O)Nc2cccc(NC(=O)c3cccs3)c2)nnc1-c1ccncc1

CN(C(=O)COc1ccccc1)c1nnc(s1)-c1ccncc1

c1[nH]c2ccccc2c1-c1ccncc1

Cc1c2[nH]c3ccccc3c2c(C)c2cnccc12

C[C@H]1CNCC[N@]1S(=O)(=O)c2cccc3c2ccnc3

C1CCC(CC1)Nc1ncnc2nc[nH]c12

COc1ccc2[nH]c3c(ncn(Cc4ccco4)c3=O)c2c1

Cc1cc2c(ccc3[nH]onc23)n1

Fc1cc2nc([nH]c2cc1F)-c1ccncc1

C1CCN(C1)c1nc(nc2ccccc12)-c1ccncc1

C(Sc1nnc(o1)-c1ccncc1)c1nc2ccccc2[nH]1

CCOc1nc(nc2ccccc12)-c1ccncc1

CC1CCCCN1c1nc(nc2ccccc12)-c1ccncc1

Cc1cccc(c1)-n1ncc2c(N)ncnc12

C(c1ccccc1)n1ncc2c1ncn1nc(nc21)-c1ccncc1

COC(=O)CNc1nc(nc2ccccc12)-c1ccncc1

COCCCNc1nc(nc2ccccc12)-c1ccncc1

Clc1ccc(CSc2nnc(o2)-c2ccncc2)cc1

CCC1CCCCN1c1nc(nc2ccccc12)-c1ccncc1

Nc1c(c2Nc3ccccc3Nc2n1N=CC1=CC(=O)C(=O)C=C1)S(=O)(=O)c1cccc(Cl)c1 |w:14.16,c:25,t:19|

CC1(C)Cc2c(CO1)c(nc1n[nH]c(N)c21)-c1ccco1

COc1ccc2n(C)c3c(ncn(Cc4ccco4)c3=O)c2c1

C(c1nnc2sc(nn12)-c1cccnc1)n1nnc2ccccc12

COc1cc2c(cc1NC(=O)COC(=O)Cn1cnc3ccccc13)oc1ccccc21

CC(OC(=O)c1ccncc1)C(=O)Nc1cccc(Cl)c1

Fc1ccccc1N1CCN(CC1)c1ncnc2n[nH]cc12

O=C(OCn1nnc2ccccc2c1=O)c1ccc2ncsc2c1

Nc1ncnc2n(ncc12)-c1ccccc1

Clc1ccc(OCCN2CCN(CC2)c2ncnc3sccc23)cc1

COC(=O)c1nnn(-c2nonc2N)c1-c1cccs1

CCOC(=O)c1nnn(-c2nonc2N)c1-c1cccs1

Cc1cc2ccccc2c(=O)n1CC(=O)Nc1ccc2OCOc2c1

C1COC2(CCN(CC2)c2ncnc3nc[nH]c23)O1

CCc1c([nH]c(C)c1C(C)=O)C(=O)NCc1ccc2OCOc2c1

C1CC(=CCN1)c1c[nH]c2ccccc12 |c:2|

Nc1nonc1-n1nncc1-c1ccccc1

C1CCN(C1)c1ncnc2nc[nH]c12

Nc1[nH]nc2nc(nc(-c3ccccc3)c12)N1CCCC1

Cc1nn(c2CCc3cnc(N)nc3-c12)-c1ccccn1

CCOC(=O)c1ccc(Nc2ncnc3nc[nH]c23)cc1

COc1ccc(cc1)-c1nc(nc2n[nH]c(N)c12)N1CCOCC1

FC(F)Sc1ccc(Nc2ncnc3nc[nH]c23)cc1

Cc1csc(NC(=O)CSc2nnc(o2)-c2ccncc2)n1

Cn1c(SCc2ccc(Br)cc2)nnc1-c1ccncc1

C(c1nnc2sc(nn12)-c1cccnc1)n1cnc2ccccc12

Cc1onc(c1C(=O)Nc1nnc(s1)-c1ccncc1)-c1ccccc1

O=C1c2ccccc2-c2ncnc3cccc1c23

O=C(Cc1cccs1)Nc1nnc(s1)-c1ccncc1

Cc1ccc(SCc2nc(no2)-c2ccncc2)cc1

CCOC(=O)c1nc[nH]c1C(=O)Nc1ccncc1

CCn1c(SCC(=O)Nc2nccs2)nnc1-c1ccncc1

CN1CCN(CC1)c1nc(nc2ccccc12)-c1ccncc1

C(Nc1nc(cs1)-c1ccncc1)c1ccco1

Cc1ccc(cc1)S(=O)(=O)NCCSc1nnnn1-c1ccc(cc1)C(N)=O

COc1ccc(OCCSc2ncnc3nc[nH]c23)cc1

Cc1ccc(o1)-c1nc2cnccn2c1Nc1ccc2OCOc2c1

CC(=O)n1cc(-c2ccncc2)c2ccccc12

COc1ccc(cc1)-c1nc2cnccn2c1Nc1ccc2OCOc2c1

CC1Cc2ccccc2N1c1ncnc2nc[nH]c12

C1CCN(CC1)c1ncnc2nc[nH]c12

CCCCc1ccc(Nc2ncnc3nc[nH]c23)cc1

CCOC(=O)N1CCN(CC1)c1ncnc2nc[nH]c12

OC1CCN(CC1)c1ncnc2nc[nH]c12

C(Cc1c[nH]c2ccccc12)Nc1ncnc2nc[nH]c12

Cc1ccc(Nc2ncnc3nc[nH]c23)cc1Cl

C(CNc1ncnc2nc[nH]c12)Cc1ccccc1

C1CCC(C1)Nc1ncnc2nc[nH]c12

C1CCCN(CC1)c1ncnc2nc[nH]c12

COc1ccccc1N1CCN(CC1)c1ncnc2nc[nH]c12

CCOC(=O)C1CCN(CC1)c1ncnc2nc[nH]c12

C(N1CCN(CC1)c1ncnc2nc[nH]c12)c1ccc2OCOc2c1

C1CCCC(CC1)Nc1ncnc2nc[nH]c12

C(Oc1ccc(Nc2ncnc3nc[nH]c23)cc1)c1ccccc1

NC(=O)c1sc2nc(N3CCCCC3)c3CCCCc3c2c1N

CCOC(=O)c1nnn(-c2nonc2N)c1-c1ccccc1

C(CSc1ncnc2nc[nH]c12)Oc1ccccc1

CC1(C)CC(=O)C(=CNc2ccc3[nH]ncc3c2)C(=O)C1 |(3.08,-1.95,;4.62,-1.95,;3.85,-3.28,;4.62,-.41,;5.95,.36,;5.95,1.9,;7.29,-.41,;8.62,.36,;9.95,-.41,;11.29,.36,;11.29,1.9,;12.62,2.67,;13.96,1.9,;15.41,2.37,;16.31,1.13,;15.41,-.11,;13.96,.36,;12.62,-.41,;7.29,-1.95,;8.62,-2.72,;5.95,-2.72,)|

c1sc2ncn3cnnc3c2c1-c1ccccc1

CC1CCN(CC1)c1nc(nc2ccccc12)-c1ccncc1

O=NCc1c[nH]c2ccccc12

CCOc1ccc2nc3ccc4[nH]onc4c3c2c1

Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1ncccc1-c1ncnc(Nc2ccc(OCCNC(=O)COCCOCCOCCOCCN)cc2)n1

Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1ncccc1-c1cc(Nc2ccc(OCCNC(=O)COCCOCCOCCOCCN)cc2)ncn1

O=S(=O)(NCCNC\C=C\c1ccccc1)c1cccc2cnccc12

Cn1c(O)csc1=NN=C1SC(=C)C(=O)N1CC=C |w:7.8,9.10|

CC(=C)CN1C(SC(=C)C1=O)=NN=c1scc(O)n1C |w:12.12,5.5|

CN(C)Cc1sc(=NN=c2scc(O)n2C)n(CC(C)=C)c1O |w:8.7|

CC(=C)Cn1c(O)c(OS(O)=O)sc1=NN=c1scc(O)n1C |w:15.15|

c1cc(ccc1C2=COc3cc(cc(c3C2=O)O)O)O

CC[C@@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)[C@H](C)O |r|

CC[C@@H]([C@@H](C)O)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3cccnc3

CCC(O)[C@@H](CC)Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1 |r|

CCC(O)[C@H](CC)Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1 |r|

CC[C@@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(O)C(C)C |r|

CC[C@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(O)C(C)C |r|

CC[C@@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(O)C(C)(C)C |r|

CC[C@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(O)C(C)(C)C |r|

CC[C@@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(C)(C)O |r|

CC[C@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(C)(C)O |r|

CC(O)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CCCCNC(=O)C[C@@H](NC(=O)CCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(I)c2c(N)ncnc12)C([O-])=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](C)[NH3+])C(=O)N[C@@H](C)C(=O)N[C@H](CCCC[NH3+])C(N)=O |r|

C[C@H]([NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCCNC(=O)C[C@@H](NC(=O)CCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(I)c2c(N)ncnc12)C([O-])=O)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](C)C(=O)N[C@H](CCCCNC(=O)c1ccc(c(c1)C(O)=O)-c1c2ccc(cc2oc2cc(ccc12)=[N+](C)C)N(C)C)C(N)=O |r,wU:6.5,62.64,82.84,38.37,40.45,wD:17.16,1.1,73.75,89.92,94.96,26.26,41.41,43.44,(11.91,-18.78,;11.91,-17.24,;10.58,-16.47,;13.25,-16.47,;13.25,-14.93,;14.58,-17.24,;15.92,-16.47,;15.92,-14.93,;14.58,-14.16,;14.58,-12.62,;13.25,-11.85,

CC(O)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CCCCNC(=O)C[C@@H](NC(=O)CCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12)C([O-])=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](C)[NH3+])C(=O)N[C@@H](C)C(=O)N[C@H](CCCCNC(=O)c1ccc(c(c1)C(O)=O)-c1c2ccc(cc2oc2cc(ccc12)=[N+](C)C)N(C)C)C(N)=O |r,wU

CCCCCCCCCCCCCC(=O)NCCCC[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CCCCNC(=O)C[C@@H](NC(=O)CCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12)C([O-])=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](C)[NH3+])C(C)O)C(=O)N[C@H](CCCCNC(=O)c1ccc(c(c1)C(O)=O)-c1c2ccc(cc2oc2cc(ccc12)=[N+](C)C)N(C)C)C(N)=O

Nc1ccc(cn1)-c1ccc2ncc3c(n(-c4cccc(c4)C(F)(F)F)c(=O)[nH]c3=O)c2n1

CC(N)c1ccc(Oc2ccc3COB(O)c3c2)c(F)c1

Cc1c2B(O)OCc2ccc1Oc1ccc(CN)cc1F

CC(N)c1ccc(Oc2ccc3COB(O)c3c2C)c(F)c1

C[C@H](N)c1ccc(Oc2ccc3COB(O)c3c2C)c(F)c1 |r|

C[C@@H](N)c1ccc(Oc2ccc3COB(O)c3c2C)c(F)c1 |r|

Cc1c2B(O)OCc2ccc1Oc1cccc(CNC(=O)OC(C)(C)C)c1F

Cc1c2B(O)OCc2ccc1Oc1cccc(CN)c1F

CC(C)c1c2B(O)OCc2ccc1Oc1ccc(CN)cc1Cl

CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)COC(=O)CCC(=O)OCc1ccc(cc1)[C@@H](CN)C(=O)Nc1ccc2cnccc2c1 |r,c:15,t:11|

C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)CCC(=O)OCc1ccc(cc1)[C@@H](CN)C(=O)Nc1ccc2cnccc2c1 |r,c:11,t:7|

C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)C[C@H](N)C(=O)OCc1ccc(cc1)[C@@H](CN)C(=O)Nc1ccc2cnccc2c1 |r,c:11,t:7|

C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)c1ccc(cc1)C(=O)OCc1ccc(cc1)[C@@H](CN)C(=O)Nc1ccc2cnccc2c1 |r,c:11,t:7|

CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)COC(=O)CCC(=O)OCc1ccc(cc1)[C@@H](CN)C(=O)Nc1ccc2cnccc2c1 |r,c:14,t:10|

C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)C1CC1C(=O)OCc1ccc(cc1)[C@@H](CN)C(=O)Nc1ccc2cnccc2c1 |r,c:11,t:7|

C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)C1CC1C(=O)OCc1ccc(cc1)[C@@H](CN)C(=O)Nc1ccc2cnccc2c1 |r,c:13,t:9|

Fc1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)Nc3ccccn3)cc12 |r|

CC(C)(C)C(=O)Nc1cccc(-c2cc(NC(=O)c3nc4cccnc4s3)[nH]n2)c1

O=C(Nc1cc(-c2cccc(NS(=O)(=O)N3CCOCC3)c2)n[nH]1)c1cccc2ncsc12

C#CC(=O)Nc1cccc(-c2cc(NC(=O)c3cc4ccc(O)cc4o3)[nH]n2)c1

O=C(Nc1cc(-c2cccc(NS(=O)(=O)N3CCOCC3)c2)n[nH]1)c1cc2nccnc2s1

C#CC(=O)Nc1cccc(-c2cc(NC(=O)c3cc4ncc(O)nc4s3)[nH]n2)c1

CC#CC(=O)Nc1cccc(-c2cc(NC(=O)c3cc4c(s3)CCNC4)[nH]n2)c1

CC#CC(=O)Nc1cccc(-c2cc(NC(=O)c3cc4cc(OC)ccc4o3)[nH]n2)c1

C#CC(=O)Nc1cccc(-c2cc(NC(=O)c3ccc4nonc4c3)[nH]n2)c1

C#CC(=O)Nc1cccc(-c2cc(NC(=O)c3cc4ccc(O)cc4o3)[nH]n2)c1

CC#CC(=O)Nc1cccc(-c2cc(NC(=O)c3cc4c(s3)CCOC4)[nH]n2)c1

C#CC(=O)Nc1cccc(-c2cc(NC(=O)c3cc4nccnc4s3)[nH]n2)c1

C#CC(=O)Nc1cccc(-c2cc(NC(=O)c3cc4ncc(C(N)=O)nc4s3)[nH]n2)c1

CC#CC(=O)Nc1cccc(-c2cc(NC(=O)c3cc4c(s3)CC(=O)NC4)[nH]n2)c1

C#CC(=O)Nc1cccc(-c2cc(NC(=O)c3cc4ncc(C(=O)O)nc4s3)[nH]n2)c1

C#CC(=O)Nc1cccc(-c2cc(NC(=O)c3cc4nccnc4s3)[nH]n2)c1

C#CC(=O)Nc1cccc(-c2cc(NC(=O)c3cc4c(s3)CCOC4)[nH]n2)c1

Cc1[nH]ncc1-c1ccc2cc(C(=O)NCc3ccccc3F)n(C)c2n1

Cc1[nH]ncc1-c1ccc2cc([nH]c2n1)C(=O)NCc1ccccc1F

COc1cccc(c1)C1(CC1)NC(=O)c1cc2ccc(nc2n1C)-c1cn[nH]c1

Cn1c(cc2ccc(nc12)-c1cn[nH]c1)C(=O)NC1(CC1)c1ccccc1F

COc1cccc(c1)C1(CC1)NC(=O)c1cc2ccc(nc2[nH]1)-c1cn[nH]c1C

Cc1[nH]ncc1-c1ccc2cc([nH]c2n1)C(=O)NCc1c(Cl)cccc1C1(O)CC1

Cn1c(cc2ccc(nc12)-c1cn[nH]c1)C(=O)NC1(CC1)c1cccc(c1)C1(O)CC1

Cn1c(cc2ccc(nc12)-c1cn[nH]c1)C(=O)NC1(CC1)c1cccc(c1)C(C)(C)F

Cn1c(cc2ccc(nc12)-c1cn[nH]c1)C(=O)NCc1ccccc1CF

COc1cccc(OC)c1CNC(=O)c1cc2ccc(nc2[nH]1)-c1cn[nH]c1C

COc1cccc(F)c1CNC(=O)c1cc2ccc(nc2[nH]1)-c1cn[nH]c1C

Cc1[nH]ncc1-c1ccc2cc([nH]c2n1)C(=O)NCc1c(Cl)cccc1OC1COC1

Cc1[nH]ncc1-c1ccc2cc([nH]c2n1)C(=O)NCc1ccccc1OC1COC1

CCOc1cc(CNC(=O)c2cc3ccc(nc3[nH]2)-c2cn[nH]c2C)c(F)cc1C#N

COc1cccc(CNC(=O)c2c[nH]c3nc(ccc23)-c2cn[nH]c2)c1

Fc1ccc(CNC(=O)c2c[nH]c3cc(ccc23)-c2cn[nH]c2)cc1F

O=C(NCc1ccncc1)c1c[nH]c2nc(ccc12)-c1cn[nH]c1

CN[C@@H]1CC2OC([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|

NC(=N)NCCC[C@@H](NC(=O)CCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)NC(=O)CCCCCNCCNS(=O)(=O)c1cccc2cnccc12

CSc1ccccc1Nc1nc(nc2c(NCC3CC3)ncnc12)N1CCN(CC1)C1CCNCC1

CNC(=O)C1C[C@@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1

OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCOC[C@H]1NC(=O)c1ccc(O)cc1

O[C@@H]1C[C@@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1

OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CC(C[C@H]1NC(=O)c1ccc(O)cc1)C(=O)C(F)(F)F

NC[C@H]1C[C@@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1

CC(=O)C1C[C@@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1

OC[C@@H]1C[C@@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1

OC1C[C@@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1

OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCS(=O)(=O)C[C@H]1NC(=O)c1ccc(O)cc1

CC1(C)C2CCC1(C)[C@@H](OC(=O)c1cc(O)c(C(=O)c3c(O)cccc3C(O)=O)c(O)c1)[C@@H]2NC(=O)c1ccc(O)cc1 |TLB:33:32:1:5.4,THB:9:8:1:5.4|

OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1C2CCC(C2)[C@H]1NC(=O)c1ccc(O)cc1 |TLB:22:23:28:26.25,THB:30:29:28:26.25|

COC(=O)C1C[C@@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1

CS(=O)(=O)C1C[C@@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1

NC[C@@H]1C[C@@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1

OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@H]1CCCNC[C@@H]1NC(=O)c1ccc(O)cc1

OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCSC[C@H]1NC(=O)c1ccc(O)cc1

N[C@@H]1C[C@@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1

CN1C2CCC1C(NC(=O)c1ccc(O)cc1)C(C2)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1 |TLB:19:17:1:4.3,THB:7:6:1:4.3|

OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1C2CCN(CC2)C[C@H]1NC(=O)c1ccc(O)cc1 |wU:23.24,wD:31.35,(5.05,-.22,;5.83,-1.57,;7.37,-1.57,;4.73,-2.67,;3.19,-2.67,;2.43,-4.01,;3.2,-5.33,;4.73,-5.33,;3.96,-6.66,;5.5,-4.01,;7.05,-4.01,;7.82,-2.67,;7.82,-5.34,;9.36,-5.33,;10.12,-3.98,;10.13,-6.66,;9.36,-8,;7.82,-8,;7.05,-6.67,;5.95,-7.76,;10.13,-9.34,;9.36,-10.69,;11.68,-9.34,;12.44,-10.37,;11.84,-11.54,;13.1,-11.2,;13.44,-12.46,;14.69,-12.12,;13.59,-13.01,;12.38,-12.68,;14.67,-10.97,;13.71,-10.12,;14.36,-8.72,;15.9,-8.71,;16.67,-10.04,;16.66,-7.37,;18.2,-7.37,;18.97,-6.04,;18.19,-4.7,;18.95,-3.35,;16.63,-4.71,;15.88,-6.06,)|

OC[C@H]1C[C@@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1

[#7]-[#6]-[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-c1ccc(s1)-c1ccnc(-[#7])n1)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O |r|

COc1cc(O)c2c(CCCC(=O)C(=O)C(O)CCC[C@H](C)OC2=O)c1 |r|

CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)N/C(=C\3/c4ccc(cc4NC3=O)C(=O)OC)/c5ccccc5

C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)N(C)C(=O)c9ccccc9)OC

C[C@@]12[C@](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)(CO)O

NC(=O)c1cc([nH]c1-c1ccccc1)-c1ccnc(N)n1

Oc1ccc(\C=C2\Oc3ccccc3C2=O)cc1O

c1cc2c(c(c1)F)c3nc(nn3c(n2)Cc4ccc5c(c4)OCO5)N

Nc1nc2c3ccc(N)cc3nc(Cc3ccc4OCOc4c3)n2n1

OCCCNc1ccc2c3ncnn3c(nc2c1)-c1ccc2OCOc2c1

c1cc2c(cc1Cc3nc4cc(ccc4c5n3nc(n5)N)NCCO)OCO2

CN1CCN(CC1)c1cc(F)c2c3nc(N)nn3c(Cc3ccc4OCOc4c3)nc2c1

CS(=O)(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:11.13,wD:4.3,(1.06,4.97,;1.05,3.73,;1.93,3.21,;2.12,4.34,;-.29,2.98,;-1.7,3.76,;-3.03,2.98,;-3.03,1.41,;-1.7,.63,;-.96,1.7,;-2.37,2.68,;-.33,1.41,;.98,.59,;2.34,1.32,;2.39,2.86,;3.74,3.59,;5.05,2.78,;5.01,1.24,;3.65,.51,;3.61,-.72,;3.79,5.12,;5.05,5.94,;4.63,7.43,;3.1,7.48,;2.12,8.67,;.58,8.39,;.06,6.95,;-1.15,6.73,;1.06,5.75,;2.58,6.04,)|

Cc1nnc(o1)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:6.6,wD:13.16,(7.33,-.85,;6.11,-.67,;5.4,.7,;3.88,.44,;3.68,-1.07,;5.04,-1.77,;2.26,-1.79,;2.12,-3.4,;.73,-4.07,;-.57,-3.2,;-.48,-1.66,;.83,-1.64,;.86,-3.35,;.93,-.96,;.98,.59,;-.32,1.41,;-.27,2.95,;-1.57,3.76,;-2.93,3.04,;-2.99,1.5,;-1.68,.68,;-1.73,-.55,;-1.52,5.3,;-2.72,6.2,;-2.2,7.65,;-.67,7.61,;.39,8.73,;1.9,8.35,;2.32,6.87,;3.52,6.58,;1.24,5.75,;-.25,6.13,)|

CNC(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:11.13,wD:4.3,(3.45,3.56,;2.38,2.95,;1.05,3.73,;1.06,4.97,;-.29,2.98,;-1.7,3.76,;-3.03,2.98,;-3.03,1.41,;-1.7,.63,;-.96,1.7,;-2.37,2.68,;-.33,1.41,;.98,.59,;.93,-.95,;-.42,-1.67,;-.48,-3.21,;.83,-4.02,;2.19,-3.3,;2.24,-1.76,;3.33,-1.18,;-1.83,-3.93,;-2.01,-5.43,;-3.53,-5.71,;-4.26,-4.36,;-5.76,-4.01,;-6.19,-2.51,;-5.12,-1.4,;-5.47,-.22,;-3.61,-1.77,;-3.19,-3.25,)|

Oc1cc([nH]n1)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:6.6,wD:13.16,(7.34,-.85,;6.12,-.67,;5.04,-1.77,;3.68,-1.07,;3.89,.44,;5.4,.7,;2.26,-1.79,;2.13,-3.4,;.73,-4.07,;-.57,-3.2,;-.48,-1.66,;.83,-1.64,;.86,-3.36,;.93,-.96,;.98,.59,;-.32,1.41,;-.27,2.95,;-1.58,3.76,;-2.94,3.04,;-2.99,1.5,;-1.68,.69,;-1.73,-.55,;-1.52,5.3,;-2.72,6.2,;-2.21,7.66,;-.67,7.61,;.39,8.73,;1.9,8.35,;2.32,6.88,;3.52,6.58,;1.25,5.75,;-.25,6.14,)|

Cc1noc(n1)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:13.16,wD:6.6,(4.75,4.05,;3.52,4.21,;2.78,5.56,;1.27,5.27,;1.1,3.76,;2.47,3.09,;-.29,2.98,;-1.7,3.76,;-3.03,2.98,;-3.03,1.41,;-1.7,.63,;-.96,1.7,;-2.37,2.68,;-.33,1.41,;.98,.59,;.93,-.95,;-.42,-1.67,;-.48,-3.21,;.83,-4.02,;2.19,-3.3,;2.24,-1.76,;3.33,-1.18,;-1.83,-3.93,;-2.01,-5.43,;-3.53,-5.71,;-4.26,-4.36,;-5.76,-4.01,;-6.19,-2.51,;-5.12,-1.4,;-5.47,-.22,;-3.61,-1.77,;-3.19,-3.25,)|

[H][C@]1(C(C)O)C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wD:11.13,1.0,TLB:2:1:7.6:9.10,THB:12:11:7.6:9.10,(-.64,1.54,;.13,.87,;1.58,1.51,;1.76,2.72,;2.54,.74,;1.38,,;2.86,.48,;2.23,-.94,;,-.67,;-.29,-2.25,;1.15,-1.65,;-1.3,.28,;-2.82,.5,;-3.77,-.71,;-3.2,-2.14,;-4.15,-3.35,;-5.67,-3.13,;-6.25,-1.7,;-5.29,-.49,;-5.75,.65,;-3.58,-4.78,;-4.4,-6.03,;-3.42,-7.22,;-2,-6.66,;-.62,-7.36,;.67,-6.49,;.57,-4.96,;1.59,-4.27,;-.83,-4.26,;-2.1,-5.13,)|

[H][C@]1(C(O)CO)C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wD:12.14,1.0,TLB:2:1:8.7:10.11,THB:13:12:8.7:10.11,(-.64,1.55,;.13,.87,;1.58,1.51,;2.6,.82,;1.69,3.04,;2.79,3.59,;1.39,,;2.86,.48,;2.23,-.94,;,-.67,;-.29,-2.25,;1.15,-1.65,;-1.3,.28,;-2.82,.5,;-3.77,-.71,;-3.2,-2.14,;-4.15,-3.35,;-5.68,-3.13,;-6.25,-1.7,;-5.3,-.49,;-5.76,.65,;-3.58,-4.78,;-4.4,-6.04,;-3.43,-7.23,;-2,-6.66,;-.62,-7.36,;.67,-6.49,;.57,-4.96,;1.59,-4.28,;-.83,-4.26,;-2.1,-5.13,)|

NS(=O)(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:11.13,wD:4.3,(1.06,4.97,;1.05,3.73,;1.93,3.21,;2.12,4.34,;-.29,2.98,;-1.7,3.76,;-3.03,2.98,;-3.03,1.41,;-1.7,.63,;-.96,1.7,;-2.37,2.68,;-.33,1.41,;.98,.59,;2.34,1.32,;2.39,2.86,;3.74,3.59,;5.05,2.78,;5.01,1.24,;3.65,.51,;3.61,-.72,;3.79,5.12,;5.05,5.94,;4.63,7.43,;3.1,7.48,;2.12,8.67,;.58,8.39,;.06,6.95,;-1.15,6.73,;1.06,5.75,;2.58,6.04,)|

Fc1cnc2[nH]cc(-c3ncc(F)c(N[C@H]4C5CCC(CC5)[C@@H]4c4nc(=O)o[nH]4)n3)c2c1 |r,wU:22.24,wD:15.14,(3.52,6.58,;2.32,6.87,;1.9,8.35,;.39,8.73,;-.67,7.61,;-2.2,7.65,;-2.72,6.2,;-1.52,5.3,;-1.57,3.76,;-2.93,3.04,;-2.99,1.5,;-1.68,.68,;-1.73,-.55,;-.32,1.41,;.98,.59,;.93,-.96,;-.48,-1.66,;-.57,-3.2,;.73,-4.07,;2.12,-3.4,;.86,-3.35,;.83,-1.64,;2.26,-1.79,;3.68,-1.07,;5.04,-1.77,;6.11,-.67,;7.33,-.85,;5.4,.7,;3.88,.44,;-.27,2.95,;-.25,6.13,;1.24,5.75,)|

Oc1cc(no1)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:13.16,wD:6.6,(4.75,4.05,;3.53,4.21,;2.47,3.09,;1.1,3.76,;1.27,5.28,;2.79,5.56,;-.29,2.98,;-1.7,3.76,;-3.04,2.98,;-3.04,1.41,;-1.7,.63,;-.96,1.7,;-2.37,2.68,;-.33,1.41,;.98,.59,;.93,-.95,;-.42,-1.67,;-.48,-3.21,;.83,-4.03,;2.19,-3.3,;2.24,-1.76,;3.33,-1.18,;-1.84,-3.94,;-2.01,-5.43,;-3.53,-5.71,;-4.26,-4.36,;-5.76,-4.01,;-6.19,-2.51,;-5.13,-1.4,;-5.47,-.22,;-3.61,-1.77,;-3.19,-3.25,)|

Fc1cnc2[nH]cc(-c3ncc(F)c(N[C@H]4C5CCC(CC5)[C@@H]4Cn4oc(=O)[nH]c4=O)n3)c2c1 |r,wU:15.14,wD:22.24,(-5.47,-.22,;-5.12,-1.4,;-6.19,-2.51,;-5.76,-4.01,;-4.26,-4.36,;-3.53,-5.71,;-2.01,-5.43,;-1.83,-3.93,;-.48,-3.21,;.83,-4.02,;2.19,-3.3,;2.24,-1.76,;3.33,-1.18,;.93,-.95,;.98,.59,;-.33,1.41,;-1.7,.63,;-3.03,1.41,;-3.03,2.98,;-1.7,3.76,;-2.37,2.68,;-.96,1.7,;-.29,2.98,;1.05,3.73,;2.38,2.95,;2.5,1.43,;4,1.09,;4.49,-.04,;4.79,2.42,;3.77,3.57,;4.03,4.78,;-.42,-1.67,;-3.19,-3.25,;-3.61,-1.77,)|

Oc1cc(on1)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:13.16,wD:6.6,(4.75,4.05,;3.53,4.21,;2.47,3.09,;1.1,3.76,;1.27,5.28,;2.79,5.56,;-.29,2.98,;-1.7,3.76,;-3.04,2.98,;-3.04,1.41,;-1.7,.63,;-.96,1.7,;-2.37,2.68,;-.33,1.41,;.98,.59,;.93,-.95,;-.42,-1.67,;-.48,-3.21,;.83,-4.03,;2.19,-3.3,;2.24,-1.76,;3.33,-1.18,;-1.84,-3.94,;-2.01,-5.43,;-3.53,-5.71,;-4.26,-4.36,;-5.76,-4.01,;-6.19,-2.51,;-5.13,-1.4,;-5.47,-.22,;-3.61,-1.77,;-3.19,-3.25,)|

CC(=O)NS(=O)(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:14.16,wD:7.6,(3.73,4.94,;3.72,3.71,;4.78,3.08,;2.38,2.95,;1.05,3.73,;1.06,4.97,;2.12,4.34,;-.29,2.98,;-1.7,3.76,;-3.03,2.98,;-3.03,1.41,;-1.7,.63,;-.96,1.7,;-2.37,2.68,;-.33,1.41,;.98,.59,;.93,-.95,;-.42,-1.67,;-.48,-3.21,;.83,-4.02,;2.19,-3.3,;2.24,-1.76,;3.33,-1.18,;-1.83,-3.93,;-2.01,-5.43,;-3.53,-5.71,;-4.26,-4.36,;-5.76,-4.01,;-6.19,-2.51,;-5.12,-1.4,;-5.47,-.22,;-3.61,-1.77,;-3.19,-3.25,)|

Fc1cnc2[nH]cc(-c3ncc(F)c(N[C@H]4C5CCC(CC5)[C@@H]4c4nnn[nH]4)n3)c2c1 |r,wU:15.14,wD:22.24,(-5.47,-.22,;-5.12,-1.4,;-6.19,-2.51,;-5.76,-4.01,;-4.26,-4.36,;-3.53,-5.71,;-2.01,-5.43,;-1.83,-3.93,;-.48,-3.21,;.83,-4.02,;2.19,-3.3,;2.24,-1.76,;3.33,-1.18,;.93,-.95,;.98,.59,;-.33,1.41,;-1.7,.63,;-3.03,1.41,;-3.03,2.98,;-1.7,3.76,;-2.37,2.68,;-.96,1.7,;-.29,2.98,;1.1,3.76,;2.47,3.09,;3.52,4.21,;2.78,5.56,;1.27,5.27,;-.42,-1.67,;-3.19,-3.25,;-3.61,-1.77,)|

OP(O)(=O)CC[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:13.15,wD:6.5,(3.73,4.94,;3.72,3.71,;4.79,4.32,;4.78,3.08,;2.38,2.95,;1.05,3.73,;-.29,2.98,;-1.7,3.76,;-3.03,2.98,;-3.03,1.41,;-1.7,.63,;-.96,1.7,;-2.37,2.68,;-.33,1.41,;.98,.59,;.93,-.95,;-.42,-1.67,;-.48,-3.21,;.83,-4.02,;2.19,-3.3,;2.24,-1.76,;3.33,-1.18,;-1.83,-3.93,;-2.01,-5.43,;-3.53,-5.71,;-4.26,-4.36,;-5.76,-4.01,;-6.19,-2.51,;-5.12,-1.4,;-5.47,-.22,;-3.61,-1.77,;-3.19,-3.25,)|

OP(O)(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:11.13,wD:4.3,(1.06,4.97,;1.05,3.73,;2.12,4.34,;1.93,3.21,;-.29,2.98,;-1.7,3.76,;-3.03,2.98,;-3.03,1.41,;-1.7,.63,;-.96,1.7,;-2.37,2.68,;-.33,1.41,;.98,.59,;2.34,1.32,;2.39,2.86,;3.74,3.59,;5.05,2.78,;5.01,1.24,;3.65,.51,;3.61,-.72,;3.79,5.12,;5.05,5.94,;4.63,7.43,;3.1,7.48,;2.12,8.67,;.58,8.39,;.06,6.95,;-1.15,6.73,;1.06,5.75,;2.58,6.04,)|

CS(=O)(=O)Nc1cccc(CC(=O)Nc2cc(cs2)-c2ccnc(Cl)c2)c1

COc1cccc(CC(=O)Nc2cc(cs2)-c2ccnc(N)c2)c1

CS(=O)(=O)Nc1cccc(CC(=O)Nc2cc(cs2)-c2ccnc(N)c2)c1

COc1cccc(CC(=O)Nc2nc(cs2)-c2ccnc(OC)c2)c1

COc1cccc(CC(=O)Nc2nc(cs2)-c2ccnc(F)c2)c1

COc1cccc(CC(=O)Nc2nc(cs2)-c2ccnc(Cl)c2)c1

COc1cccc(CC(=O)Nc2cc(cs2)-c2ccnc(F)c2)c1

CS(=O)(=O)Nc1cccc(CC(=O)Nc2cc(cs2)-c2ccnc(F)c2)c1

COc1cccc(CC(=O)Nc2cc(cs2)-c2ccnc(Cl)c2)c1

COc1cccc(CC(=O)Nc2nc(cs2)-c2ccnc(C)c2)c1

COc1cccc(CC(=O)Nc2nc(cs2)-c2ccnc(N)c2)c1

CNc1cc(ccn1)-c1csc(NC(=O)Cc2cccc(OC)c2)n1

COc1cccc(CC(=O)Nc2nc(cs2)-c2ccnc(c2)N(C)C)c1

COc1cccc(CC(=O)Nc2cc(cs2)-c2ccncn2)c1

COc1cccc(CC(=O)Nc2nc(cs2)-c2ccncn2)c1

COc1cccc(CC(=O)Nc2nnc(s2)-c2ccncc2)c1

COc1cccc(CC(=O)Nc2nc(ns2)-c2ccncc2)c1

COc1cccc(CC(=O)Nc2ccc(s2)-c2ccncc2)c1

COc1cccc(CC(=O)Nc2csc(c2)-c2ccncc2)c1

COc1cccc(CC(=O)Nc2cc(cs2)-c2ccncc2)c1

COc1cccc(CC(=O)Nc2cnc(s2)-c2ccncc2)c1

COc1cccc(CC(=O)Nc2csc(n2)-c2ccncc2)c1

COc1cccc(c1)C1CCCN(c2nc(cs2)-c2ccncc2)C1=O

CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2ccncc2)c1

Nc1cccc(CC(=O)Nc2nc(cs2)-c2ccncc2)c1

Clc1c2OCOc2ccc1CC(=O)Nc1nc(cs1)-c1ccncc1

O=C(Cc1ccc2OCOc2c1)Nc1nc(cs1)-c1ccncc1

Oc1ccc(CC(=O)Nc2nc(cs2)-c2ccncc2)cc1

Oc1cccc(CC(=O)Nc2nc(cs2)-c2ccncc2)c1

Oc1ccccc1CC(=O)Nc1nc(cs1)-c1ccncc1

COc1ccc(CC(=O)Nc2nc(cs2)-c2ccncc2)cc1

COc1cccc(CC(=O)Nc2nc(cs2)-c2ccncc2)c1

COc1ccccc1CC(=O)Nc1nc(cs1)-c1ccncc1

Fc1ccc(CC(=O)Nc2nc(cs2)-c2ccncc2)cc1

Fc1cccc(CC(=O)Nc2nc(cs2)-c2ccncc2)c1

Fc1ccccc1CC(=O)Nc1nc(cs1)-c1ccncc1

O=C(Cc1ccccc1)Nc1nc(cs1)-c1ccncc1

Fc1ccccc1C(=O)Nc1nc(cs1)-c1ccncc1

COC(=O)[C@H]1C[C@H](O)[C@H](C1)n1cnc2c(N)ncnc12

[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6@@H](-[#8])-[#6@@H](-[#6]-1)-n1cnc2c(-[#7])ncnc12)-[#6](-[#7])=O

COC(=O)[C@@H]1C[C@@H](O)[C@@H](C1)n1cnc2c(N)ncnc12

[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H]-1-[#6]-[#6@H](-[#8])-[#6@H](-[#6]-1)-n1cnc2c(-[#7])ncnc12)-[#6](-[#7])=O

c1c(cc(c2c1CN(C2=O)C3CCN(CC3)C4CCC(CC4)(F)F)C(=O)N)F

CN1Cc2c(C1=O)c1c3ccccc3n(C)c1c1n(CCC#N)c3ccccc3c21

OCC(O)Cn1c2ccccc2c2c3CNC(=O)c3c3c4ccccc4[nH]c3c12

CCn1c2ccccc2c2c3C(=O)NCc3c3c4ccccc4n(CCC#N)c3c12

OC(=O)CCn1c2ccccc2c2c3CNC(=O)c3c3c4ccccc4[nH]c3c12

Cn1c2ccccc2c2c3C(=O)NCc3c3c4ccccc4n(CC(F)F)c3c12

CCCn1c2ccccc2c2c3CNC(=O)c3c3c4ccccc4n(C)c3c12

O=C1NCc2c1c1c3ccccc3[nH]c1c1n(CCC#N)c3ccccc3c21

CCn1c2ccccc2c2c3CNC(=O)c3c3c4ccccc4n(CC)c3c12

Cn1c2ccccc2c2c3CNC(=O)c3c3c4ccccc4n(C)c3c12

Cn1c2ccccc2c2c3CNC(=O)c3c3c4ccccc4[nH]c3c12

C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1 |r|

[H][C@]1(CN2CCC2)C[C@]([H])(C1)n1cc(-c2cccc(OCc3ccccc3)c2)c2c(N)ncnc12 |wD:8.9,1.0,(6.47,-15.11,;5.71,-13.78,;4.93,-15.11,;5.69,-16.44,;5.68,-17.98,;7.22,-17.99,;7.23,-16.45,;5.31,-12.3,;6.81,-11.9,;6.02,-10.55,;7.2,-13.39,;7.59,-10.56,;6.61,-9.37,;7.45,-8.07,;7.04,-6.58,;5.56,-6.19,;5.15,-4.71,;6.24,-3.6,;7.73,-3.99,;8.81,-2.89,;10.15,-3.66,;11.48,-2.89,;12.81,-3.66,;14.12,-2.9,;14.13,-1.36,;12.8,-.59,;11.48,-1.36,;8.13,-5.47,;8.94,-8.47,;10.35,-7.7,;10.34,-6.15,;11.69,-8.46,;11.69,-10.01,;10.35,-10.79,;9.02,-10.01,)|

Nc1ncnc2n(cc(-c3cccc(OCC45CCC(CC4)O5)c3)c12)[C@@H]1C[C@H](CN2CCC2)C1 |r,wD:25.29,27.32,(-1.03,2.79,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.92,;4.34,4.35,;3.39,5.56,;1.86,5.34,;.91,6.56,;1.49,7.99,;.54,9.2,;-.78,8.6,;-1.87,9.66,;-1.5,11.15,;-.02,11.55,;1.07,10.5,;-.08,10.34,;1.29,3.91,;.3,.77,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.26,;4.58,-6.69,;5.27,-8.03,;6.62,-7.29,;5.88,-5.94,;1.42,-3.96,)|

Nc1ncnc2n(cc(-c3cccc(OC[C@@H]4CCCO4)c3)c12)[C@@H]1C[C@H](CN2CCC2)C1 |r,wD:23.26,16.15,25.29,(-1.03,2.79,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;3.38,5.55,;1.86,5.34,;.91,6.55,;1.49,7.98,;.54,9.2,;-.98,9.12,;-1.51,10.57,;-.3,11.52,;.98,10.66,;1.29,3.91,;.3,.77,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.25,;4.58,-6.69,;5.27,-8.02,;6.62,-7.28,;5.88,-5.93,;1.42,-3.96,)|

Nc1ncnc2n(cc(-c3cccc(O)c3)c12)[C@@H]1C[C@H](CN2CCC2)C1 |r,wD:17.19,19.22,(-1.03,2.79,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;3.38,5.56,;1.86,5.34,;1.1,6.31,;1.29,3.91,;.3,.77,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.25,;4.58,-6.69,;5.27,-8.02,;6.62,-7.28,;5.88,-5.93,;1.42,-3.96,)|

CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2cc(OC[C@@H]3CCCO3)ccc2F)c2c(N)ncnc12 |r,wU:21.22,wD:11.14,9.9,(4.28,-11.46,;5,-10.46,;6.22,-10.59,;4.36,-9.06,;2.83,-8.9,;2.2,-7.5,;3.1,-6.26,;4.64,-6.41,;5.27,-7.81,;2.74,-4.76,;3.54,-3.45,;2.24,-2.7,;1.42,-3.96,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;5.86,4.56,;6.43,5.99,;7.96,6.21,;9.01,5.1,;10.39,5.78,;10.17,7.31,;8.66,7.57,;3.38,5.55,;1.86,5.34,;1.29,3.91,;.07,3.74,;.3,.77,;-1.03,1.55,;-1.03,2.79,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)|

CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2cccc(OC[C@@H]3CCCO3)c2F)c2c(N)ncnc12 |r,wD:11.14,23.24,9.9,(4.28,-11.46,;5,-10.46,;6.22,-10.59,;4.36,-9.06,;2.83,-8.9,;2.2,-7.5,;3.1,-6.26,;4.64,-6.41,;5.27,-7.81,;2.74,-4.76,;3.54,-3.45,;2.24,-2.7,;1.42,-3.96,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;3.38,5.55,;1.86,5.34,;.91,6.55,;1.49,7.98,;.54,9.2,;-.98,9.12,;-1.51,10.57,;-.3,11.52,;.98,10.66,;1.29,3.91,;.07,3.74,;.3,.77,;-1.03,1.55,;-1.03,2.79,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)|

CN1CCN(CC1)c2ccc(c(c2)NC3CCOCC3)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F

CN1C(=O)COc2c1cnc1ccc(Sc3nnc4c(F)cc(cn34)-c3cnn(C)c3)cc21

CC1(C)C(=O)N([C@H]2CCc3c2cccc3O)c2nc(Nc3ccccc3)ncc12 |r|

Cn1c(nc2ccccc12)-c1nonc1N

CCn1c(nc2ccccc12)-c1nonc1N

CC(C)n1c(nc2ccccc12)-c1nonc1N

Nc1nonc1-c1nc2ccccc2n1C1CC1

Nc1nonc1-c1nc2ccccc2n1C1CCC1

Nc1nonc1-c1nc2ccccc2n1C1CCCC1

Nc1nonc1-c1nc2ccccc2n1C1CCCCC1

c1ccc2c(c1)nc(n2CC3CC3)c4c(non4)N

Nc1nonc1-c1nc2ccccc2n1CC1CCC1

CC(C)Cn1c(nc2ccccc12)-c1nonc1N

Nc1nonc1-c1nc2ccccc2n1-c1ccccc1

Nc1nonc1-c1nc2ccccc2n1-c1ccccc1C#N |(29.45,-32.67,;29.92,-34.14,;31.39,-34.61,;31.39,-36.15,;29.92,-36.63,;29.02,-35.38,;27.48,-35.38,;26.57,-34.13,;25.09,-34.61,;23.75,-33.84,;22.42,-34.61,;22.42,-36.16,;23.76,-36.93,;25.09,-36.16,;26.57,-36.64,;27.04,-38.1,;28.54,-38.41,;29.03,-39.87,;27.99,-41.03,;26.48,-40.71,;26.01,-39.24,;24.51,-38.92,;23,-38.6,)|

Nc1nonc1-c1nc2ccccc2n1-c1cccc(c1)C#N

Nc1nonc1-c1nc2ccccc2n1-c1ccc(cc1)C#N

COc1ccccc1-n1c(nc2ccccc12)-c1nonc1N |(24.61,-6.88,;25.42,-5.57,;26.96,-5.62,;27.69,-6.97,;29.23,-7.01,;30.03,-5.69,;29.3,-4.35,;27.77,-4.31,;27.04,-2.96,;27.95,-1.7,;27.03,-.45,;25.56,-.93,;24.22,-.16,;22.9,-.93,;22.89,-2.48,;24.23,-3.25,;25.56,-2.48,;29.48,-1.7,;30.39,-2.95,;31.85,-2.47,;31.85,-.93,;30.39,-.46,;29.91,1.01,)|

COc1ccc(cc1)-n1c(nc2ccccc12)-c1nonc1N

Nc1nonc1-c1nc2cc(O)ccc2n1C1CCC1

Nc1nonc1-c1nc2cc(N)ccc2n1C1CCC1

COc1ccc2n(C3CCC3)c(nc2c1)-c1nonc1N

COC(=O)c1ccc2n(C3CCC3)c(nc2c1)-c1nonc1N

CC(=O)Nc1ccc2n(C3CCC3)c(nc2c1)-c1nonc1N

Cc1ccc2n(C3CCC3)c(nc2c1)-c1nonc1N

Nc1nonc1-c1nc2cc(CO)ccc2n1C1CCC1

CC(C)Cn1cc(nc1-c1nonc1N)-c1ccccc1

CC(C)Cn1cc(C)nc1-c1nonc1N

CC(C)Cn1cc(nc1-c1nonc1N)C#N

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

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

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

[#7]-[#6]-[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-c1cccc(c1)-c1ccncc1)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O |r|

[#7]-[#6]-[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-c1cccc(c1)-c1ccnc(-[#7])n1)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O |r|

NCCCC[C@@H](NC(=O)CCCCCNC(=O)c1cn(nn1)-c1ncnc2nc[nH]c12)C(=O)NCCCCCC(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(N)=O |r,wU:53.55,wD:42.44,5.5,(3.53,-34.36,;3.53,-35.9,;2.2,-36.67,;2.2,-38.21,;3.53,-38.98,;3.53,-40.52,;2.2,-41.29,;.87,-40.52,;.87,-38.98,;-.47,-41.29,;-.47,-42.83,;.87,-43.6,;.87,-45.14,;2.2,-45.91,;2.2,-47.45,;3.53,-48.22,;3.53,-49.76,;4.87,-47.45,;5.39,-45.99,;6.93,-46.04,;7.36,-47.52,;6.08,-48.38,;8.24,-45.25,;8.21,-43.71,;9.53,-42.92,;10.88,-43.67,;10.91,-45.21,;12.07,-46.22,;11.47,-47.63,;9.94,-47.5,;9.59,-46,;4.87,-41.29,;4.87,-42.83,;6.2,-40.52,;7.53,-41.29,;8.87,-40.52,;10.2,-41.29,;11.53,-40.52,;12.87,-41.29,;14.2,-40.52,;14.2,-38.98,;15.54,-41.29,;16.87,-40.52,;16.87,-38.98,;18.2,-38.21,;18.2,-36.67,;16.87,-35.9,;16.87,-34.36,;15.54,-33.59,;18.2,-33.59,;18.2,-41.29,;18.2,-42.83,;19.54,-40.52,;20.87,-41.29,;20.87,-42.83,;22.2,-43.6,;22.2,-45.14,;23.54,-45.91,;23.54,-47.45,;24.87,-48.22,;22.2,-48.22,;22.2,-40.52,;23.54,-41.29,;22.2,-38.98,)|

[#7]-[#6]-[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-c1ccc(s1)-c1ccnc(-[#7])n1)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#7])=O |r|

[#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-c1ccc(s1)-c1ccnc(-[#7])n1)-[#6](-[#7])=O |r|

COc1ccc(cc1Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O)N1CCN(C)CC1

O=C(N[C@H](CN1CCCC1)c1ccccc1)c1cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCOCC3)c2s1 |r|

COc1cc(O)c2c(CCC[C@H](O)CC(=O)C=CC[C@H](C)OC2=O)c1 |r,w:17.17|

CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(CCO)c4-c3n2)C(N)=O)c1

CNC(=O)c1ccccc1Sc2ccc3c(c2)[nH]nc3/C=C/c4ccccn4

Cc1cnc2c(NCCN)nc3ccc(C)cc3n12

COc1ccc(cc1)COc2ccc(cc2OC)Cc3cnc(nc3N)N

COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1

COCCOc1cc2c(cc1OCCOC)ncnc2Nc3cccc(c3)C#C

C=CC(=O)Nc1cc2c(cc1OCCCN3CCOCC3)ncnc2Nc4ccc(c(c4)Cl)F

Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1

CN1c2c(cnc(n2)Nc3cccc(c3)SC)C=C(C1=O)c4c(cccc4Cl)Cl

Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C

CC(C)S(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C)Cl

CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1

CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12

COc1ccc(c(c1C(=O)c2cnc(nc2N)NC3CCN(CC3)S(=O)(=O)C)F)F

Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12

CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1

Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl

Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1

CC1(CNc2c1ccc(c2)NC(=O)c3cccnc3NCc4ccncc4)C

CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1

COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1

Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1

CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(cc4Cl)Cl)OC

Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1

Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 |r|

CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r|

COc1cc2c(cc1OCCCN3CCOCC3)c(ncn2)Nc4ccc(c(c4)Cl)F

Cn1cnc2c1cc(c(c2F)Nc3ccc(cc3Cl)Br)C(=O)NOCCO

CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1

C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|

OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O

CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl

C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|

Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1

CC1(C(=O)Nc2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)C

CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C

C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|

Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1

CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1

OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|

c1c[nH]c2c1c(ncn2)c3cnn(c3)[C@H](CC#N)C4CCCC4

c1cc(c(c(c1)Cl)C2=C3C=CC(=NN3C=NC2=O)Sc4ccc(cc4F)F)Cl

Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|

CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O

C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C

CN1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4F)Br

CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C

Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)OCCN4CCCC4

CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|

CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1

CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1

O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1

CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F

CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|

COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C

COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1 |c:26,t:21|

CN(C)C/C=C/C(=O)Nc1cc2c(cc1O[C@H]3CCOC3)ncnc2Nc4ccc(c(c4)Cl)F

CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|

CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12

Cc1ccc(cc1Nc2nc(cs2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C

CC(C)(C)c1cnc(o1)CSc2cnc(s2)NC(=O)C3CCNCC3

COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1

CCN(CCCOc1ccc2c(c1)ncnc2Nc3cc(n[nH]3)CC(=O)Nc4cccc(c4)F)CCO

Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F

Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F

CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2C)C(N)=O)c1

CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc3c(CCNC3=O)n2C)c1

CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)N)O

NC[C@@](O)(c1ccc(Cl)cc1)c1ccc(cc1)-c1cn[nH]c1

CC(C)(C)n1c2c(c(n1)Cc3cccc4c3cccc4)c(ncn2)N

COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1

CCOc1cc2c(cc1NC(=O)/C=C/CN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)F

NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCOc2c1)-c1ccccn1

CC(C)CC(=O)Nc1[nH]nc2c1CN(C(=O)C1CCN(C)CC1)C2(C)C

CC(C)(C)C(=O)N1Cc2c(NC(=O)c3cc(F)cc(F)c3)[nH]nc2C1(C)C

O=C1NCCc2[nH]c(cc12)-c1ccncc1

CSc1ccccc1Nc2c3c(c(ncn3)NCC4CC4)nc(n2)N5CCNCC5

COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CC(C)(C)O)n(-c5ccccc5)c4=O)nc3)ccnc2c1

CC1=C(C(=O)N(N1C)c2ccccc2)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4cc(c(c5)OC)OC

O=C(Cc1cccc(OCCCN2CCCCC2)c1)Nc1nc(cs1)-c1ccncc1

O=C(Cc1cccc(OCCN2CCCCC2)c1)Nc1nc(cs1)-c1ccncc1

O=C(Cc1cccc(OCCCN2CCOCC2)c1)Nc1nc(cs1)-c1ccncc1

O=C(Cc1cccc(OCCCN2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1

CN1CCN(CCOc2cccc(CC(=O)Nc3nc(cs3)-c3ccncc3)c2)CC1

O=C(Cc1cccc(OCCN2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1

O=C(Cc1cccc(OCCN2CCOCC2)c1)Nc1nc(cs1)-c1ccncc1

CN1CCN(CCCOc2cccc(CC(=O)Nc3nc(cs3)-c3ccncc3)c2)CC1

CN1CCC(CCCOc2cccc(CC(=O)Nc3nc(cs3)-c3ccncc3)c2)CC1

O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1

[H][C@]12C[C@@H](NCCOCCOCCOCCNC(=O)CCC3=[N+]4C(C=C3)=Cc3c(C)cc(C)n3[B-]4(F)F)[C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r,c:24,26,t:21|

[H][C@]12C[C@H]([C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)CCOCCOCCOCCNC(=O)CCC1=[N+]2C(C=C1)=Cc1c(C)cc(C)n1[B-]2(F)F |r,c:63,65,t:60|

CC(C)(C#N)c1cccc(n1)-c1ccnc2[nH]ccc12

NCC1(CCOCC1)c1cccc(c1)-c1ccnc2[nH]nc(c12)C(F)(F)F

C[C@]12CC=C3C=C4[C@H]([C@@H]([C@H](C[C@]45CC[C@@]3([C@@H]1CC[C@@H]2c6ccc7ccncc7c6)O5)N(C)C)O)O

COc1cc(ccc1OCc2ccc(cc2)C3CC3)C4CN(C4)C(=O)c5cc(ccn5)COC[C@H](CO)O

Cc1sc(cc1-c1cnn2cc(Cl)cnc12)C(=O)N[C@@H]1[C@H](N)CCCC1(F)F |r|

Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)N[C@@H]1CCCC[C@@H]1N |r|

FC(F)(F)CNC(=O)c1cc(cs1)-c1cnn2cc(cnc12)-c1ccc(OCCN2CCCCC2)cc1

Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)NCC(F)(F)F

Cc1nc(NC(=O)NCCc2cn(CC(F)F)cn2)sc1C#Cc1cccnc1

COc1cc(cnc1OC)C#Cc1sc(NC(=O)NCCOCC2CC2)nc1C

Cc1nc(NC(=O)NCCOCC2CC2)sc1C#Cc1ccc2cncn2c1

C[C@@H](CNC(=O)Nc1nc(C)c(s1)C#Cc1cncc(C)c1)OCC1CC1 |r|

C[C@@H](CNC(=O)Nc1nc(C)c(s1)C#Cc1cnc(C)c(C)c1)OCC1CC1 |r|

Cc1ccc(cc1C#Cc2cnc3n2nccc3)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C

C[C@@H](NC(=O)CCCCCNC(=O)c1ccc([se]1)-c1ccnc(N)n1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCCN(C)c1ccc2c(-c3ccc(cc3C(O)=O)C([O-])=O)c3ccc(cc3oc2c1)=[N+](C)C)C(N)=O |r|

CC[C@H](C)[C@H](NC(=O)CCC(=O)N[C@@H](CCCCNC(=O)[C@@H](CCCNC(N)=N)NC(=O)CCCCCCCC(=O)N1CCN(CC1)c1ncnc2[nH]ccc12)C(N)=O)C(=O)NCC(C)=O |r|

CC[C@H](C)[C@H](NC(=O)CCC(=O)N[C@@H](CCCCNC(=O)[C@@H](CCCNC(N)=N)NC(=O)CCCCCCCC(=O)N1CCN(CC1)c1ncnc2[nH]ccc12)C(=O)N[C@H](CCCNC(N)=N)C(N)=O)C(=O)NCC(C)=O |r|

CC[C@H](C)[C@H](NC(=O)CCC(=O)N[C@@H](CCCCNC(=O)[C@@H](CCCNC(N)=N)NC(=O)CCCCCCCC(=O)N1CCN(CC1)c1ncnc2[nH]ccc12)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(N)=O)C(=O)NCC(C)=O |r|

CC[C@H](C)[C@H](NC(=O)CCC(=O)N[C@@H](CCCCNC(=O)[C@@H](CCCNC(N)=N)NC(=O)CCCCCCCC(=O)N1CCN(CC1)c1ncnc2[nH]ccc12)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(N)=O)C(=O)NCC(C)=O |r|

CC[C@H](C)[C@H](NC(=O)CCC(=O)N[C@@H](CCCCNC(=O)[C@@H](CCCNC(N)=N)NC(=O)CCCCCCCC(=O)N1CCN(CC1)c1ncnc2[nH]ccc12)C(=O)N[C@H](CCCNC(N)=N)C(N)=O)C(=O)NCC(=O)CF |r|

NC(=N)NCCC[C@@H](NC(=O)CCCCCNC(=O)[C@@H](CCCNC(N)=N)NC(=O)CCCCCCCC(=O)N1CCN(CC1)c1ncnc2[nH]ccc12)C(N)=O |r|

CC[C@H](C)[C@H](NC(=O)CCC(=O)N[C@@H](CCCCNC(=O)[C@@H](CCCNC(N)=N)NC(=O)CCCCCCCC(=O)N1CCN(CC1)c1ncnc2[nH]ccc12)C(N)=O)C(=O)NCC(=O)CF |r|

CC[C@H](C)[C@H](NC(=O)CCC(=O)N[C@@H](CCCCNC(=O)[C@@H](CCCNC(N)=N)NC(=O)CCCCCCCC(=O)N1CCN(CC1)c1ncnc2[nH]ccc12)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(N)=O)C(=O)NCC(=O)CF |r|

CC[C@H](C)[C@H](NC(=O)CCC(=O)N[C@@H](CCCCNC(=O)[C@@H](CCCNC(N)=N)NC(=O)CCCCCCCC(=O)N1CCN(CC1)c1ncnc2[nH]ccc12)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(N)=O)C(=O)NCC(=O)CF |r|

Cn1cncc1C2=CN(CCS2)c3c4c([nH]cn4)ncn3

Cn1cncc1C2=CN(CCS2)c3c4c(ncn3)NC(=O)N4

Cn1cnc(Br)c1C1=CN(CCS1)c1ncnc2[nH]cnc12 |t:8|

Cn1c(Br)nc(Br)c1C1=CN(CCS1)c1ncnc2[nH]cnc12 |t:9|

Cn1cncc1C1=CN(CC[S+]1[O-])c1ncnc2[nH]cnc12 |t:7|

Cn1cncc1C1=CN(CCS1(=O)=O)c1ncnc2[nH]cnc12 |t:7|

COc1cc(Nc2nccc(-c3cc(C(=O)N[C@@H](C)CN4CCC4)n(C)n3)n2)cc(OC)c1

Nc1nc(NCCc2c[nH]cn2)c2nc[nH]c2n1

Nc1nc(NCCc2nc[nH]c2Br)c2nc[nH]c2n1

Nc1nc(NCCc2nc(Br)[nH]c2Br)c2nc[nH]c2n1

Nc1nc(NCCc2nc(Br)[nH]c2Br)c2nc(Br)[nH]c2n1

Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12

Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C

Cc1cc2c(c[nH]c2nc1)Cc3ccc(nc3F)NCc4cc(cnc4OC)F

Cc1cn(CCN2CCN(CC2)c2ccccc2-c2cc(cc(c2)C(=O)NCCCN2CCCC2)C#N)c2ccccc12

O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1