smile	binding.affinity
[H]N(C1=NC2=C([H])C([H])=C(Cl)C(Cl)=C2[C@]([H])(N1[H])C([H])([H])[H])C([H])([H])C([H])(F)F	5.7
[H]N(C1=NC2=C([H])C([H])=C([H])C([H])=C2[C@@]([H])(N1[H])C([H])([H])[H])C([H])([H])C(F)(F)F	397
[H]N(C1=NC2=C([H])C([H])=C([H])C([H])=C2[C@]([H])(N1[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]	155.5
[H]N(C1=NC2=C([H])C([H])=C([H])C([H])=C2[C@]([H])(N1[H])C([H])([H])[H])C([H])([H])[H]	149.5
[H]N(C1=NC2=C([H])C([H])=C([H])C([H])=C2[C@]([H])(N1[H])C([H])([H])[H])[C@@]1([H])C(=O)N(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	279
[H]N(C1=NC2=C([H])C([H])=C([H])C([H])=C2[C@@]([H])(N1[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])OC([H])([H])C([H])([H])[H]	176
[H]N1C2=C(C([H])=C(OC([H])([H])[H])C([H])=C2[H])C(=C1C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H]	4620
[H]N1C2=C(C([H])=C(OC([H])([H])[H])C([H])=C2[H])C(=C1C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H]	5160
[H]O[C@@]12O[C@@](N([H])C(=O)[C@]3([H])C([H])=C4C5=C6C(N([H])C([H])=C6C([H])([H])[C@@]4([H])N(C([H])([H])[H])C3([H])[H])=C([H])C([H])=C5[H])(C(=O)N1[C@]([H])(C(=O)N1C([H])([H])C([H])([H])C([H])([H])[C@@]21[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])[H]	22
[H]C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])C([H])([H])C(=O)N1C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])C([H])([H])C([H])(C2=C([H])C([H])=C(F)C([H])=C2[H])C2=C([H])C([H])=C(F)C([H])=C2[H])C([H])([H])C1([H])[H]	5520
[H]C1=C([H])C(=C([H])C([H])=C1F)C([H])(C1=C([H])C([H])=C(F)C([H])=C1[H])C([H])([H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N(C(=O)OC([H])([H])C([H])([H])C2=C([H])C([H])=C(C#N)C([H])=C2[H])C([H])([H])C1([H])[H]	3380
[H]N([H])C1=NC2=C([H])C([H])=C([H])C(Cl)=C2[C@]([H])(N1[H])C([H])([H])[H]	5.1
[H]N(C1=NC2=C([H])C([H])=C([H])C(Cl)=C2[C@@]([H])(N1[H])C([H])([H])[H])C([H])([H])C([H])(F)F	10.1
[H]N1C([H])=C2C3=C(C([H])=C([H])C([H])=C13)C1=C([H])[C@@]([H])(C(=O)N3[C@@]([H])(C([H])([H])[H])C([H])([H])[C@]3([H])C([H])([H])[H])C([H])([H])N(C([H])([H])[H])[C@@]1([H])C2([H])[H]	16
[H]N1C([H])=C2C3=C(C([H])=C([H])C([H])=C13)C1=C([H])[C@@]([H])(C(=O)N(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])N(C([H])([H])[H])[C@]1([H])C2([H])[H]	9
[H]OC1=C([H])C(=C([H])C([H])=C1[H])S(=O)(=O)N1C([H])([H])C([H])([H])C([H])([H])[C@]1([H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C1([H])[H]	65
[H]N(C([H])([H])[H])S(=O)(=O)C1=C([H])C2=C(N([H])C([H])=C2C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H])C([H])=C1[H]	5000
[H]N1C([H])=C([H])C2=C([H])C([H])=C(C([H])=C12)S(=O)(=O)N1C([H])([H])C([H])([H])C([H])([H])[C@]1([H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])C([H])(OC2=C([H])C([H])=C(Cl)C([H])=C2[H])C([H])([H])C1([H])[H]	168
[H]N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C([H])C3=C([H])C([H])=C([H])C([H])=C23)C([H])([H])C1([H])[H]	1070
[H]OC([H])([H])[C@@](C([H])([H])[H])(C([H])([H])N([H])C(=O)[C@]1([H])C([H])=C2C3=C4C(N([H])C([H])=C4C([H])([H])[C@@]2([H])N(C([H])([H])[H])C1([H])[H])=C([H])C([H])=C3[H])C([H])([H])C([H])([H])[H]	200
[H]OC1=C([H])C([H])=C([H])C2=C1C([H])([H])[C@@]([H])(N(C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C2([H])[H]	2500
[H]OC1=C([H])C2=C(N([H])C([H])=C2C([H])([H])C([H])([H])N([H])[H])C([H])=C1[H]	170
[H]C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N1C([H])([H])C2=C(N(C3=C([H])C([H])=C([H])C([H])=C23)C([H])([H])[H])C([H])([H])C1([H])[H]	174
[H]C1=C([H])C2=C(N1C([H])([H])[H])C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])C([H])([H])OC1=C([H])C([H])=C(F)C([H])=C1[H])C2([H])[H]	1920
[H]C1=C([H])C(OC([H])([H])[H])=C2N(C3=C(C2=C1[H])C([H])([H])N(C([H])([H])C([H])([H])C([H])([H])OC1=C([H])C([H])=C(F)C([H])=C1[H])C([H])([H])C3([H])[H])C([H])([H])[H]	1395
[H]C1=C([H])C([H])=C(OC([H])([H])C([H])([H])C([H])([H])N2C([H])([H])C3=C(N(C4=C([H])C([H])=C([H])C([H])=C34)C([H])([H])C([H])([H])[H])C([H])([H])C2([H])[H])C([H])=C1[H]	100
[H]C1=C([H])C2=C(C([H])=C1[H])C([H])([H])[C@@]([H])(N1C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H])C1=C([H])C(SC([H])([H])[H])=C([H])C([H])=C1S2	1
[H]C1=C([H])C2=C(C([H])=C1[H])C1=C(N2C([H])([H])[H])C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])C([H])([H])OC2=C([H])C([H])=C(F)C([H])=C2[H])C1([H])[H]	55
[H]N1C2=C([H])C([H])=C([H])C([H])=C2C(=NC2=C1C([H])=C([H])C(Cl)=C2[H])N1C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H]	1000
[H]\C(=C(\[H])C([H])([H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])N1C([H])([H])C2=C(N(C3=C([H])C([H])=C([H])C([H])=C23)C([H])([H])[H])C([H])([H])C1([H])[H]	185
[H]C1=C([H])C2=C(C([H])=C1[H])C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])C([H])([H])OC1=C([H])C([H])=C(F)C([H])=C1[H])C2([H])[H]	400
[H]N(C(=O)OC([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])[C@@]1([H])C([H])([H])N(C([H])([H])[H])[C@]2([H])C([H])([H])C3=C([H])N([H])C4=C3C(=C([H])C([H])=C4[H])[C@@]2([H])C1([H])[H]	815
[H]OC1=C([H])C([H])=C2C([H])=C([H])C([H])=C(N3C([H])([H])C([H])([H])N([H])C([H])([H])C3([H])[H])C2=C1[H]	3
[H]N([H])C(=O)C1=C([H])C2=C(N([H])C([H])=C2C([H])([H])C([H])([H])N([H])[H])C([H])=C1[H]	20
[H]N1C2=C([H])C([H])=C([H])C([H])=C2C2=C1C([H])([H])N([H])C([H])([H])C2([H])[H]	3200
[H]O\N=C(/C1=C([H])C([H])=C(F)C([H])=C1[H])C([H])([H])C([H])([H])C([H])([H])N1C([H])([H])C2=C(N(C3=C([H])C([H])=C([H])C([H])=C23)C([H])([H])[H])C([H])([H])C1([H])[H]	340
[H]N1C2=C([H])C([H])=C([H])C([H])=C2C2=C1C(=NC([H])([H])C2([H])[H])C([H])([H])[H]	845
[H]C1=C([H])C([H])=C2C(=C1[H])N(C1=C2C([H])([H])N(C([H])([H])C([H])([H])C([H])([H])OC2=C([H])C(Cl)=C(Cl)C([H])=C2[H])C([H])([H])C1([H])[H])C([H])([H])[H]	200
[H]C1=C(C2=C(C([H])=C([H])C([H])=C2[H])N1C([H])([H])[H])C([H])([H])N(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])OC1=C([H])C([H])=C(F)C([H])=C1[H]	1080
[H]C1=C([H])C([H])=C2C(=C1[H])N(C1=C2C([H])([H])N(C([H])([H])C([H])([H])C([H])([H])OC2=C([H])C([H])=C(C([H])=C2[H])[N+]([O-])=O)C([H])([H])C1([H])[H])C([H])([H])[H]	250
[H]O[C@]([H])(C1=C([H])C([H])=C(F)C([H])=C1[H])C([H])([H])C([H])([H])C([H])([H])N1C([H])([H])C2=C(N(C3=C([H])C([H])=C([H])C([H])=C23)C([H])([H])[H])C([H])([H])C1([H])[H]	285
[H]C1=C([H])C([H])=C2C(=C1[H])N(C1=C2C([H])([H])N(C([H])([H])C([H])([H])OC2=C([H])C([H])=C(F)C([H])=C2[H])C([H])([H])C1([H])[H])C([H])([H])[H]	930
[H]C1=C([H])C([H])=C2C(=C1[H])N(C1=C2C([H])([H])N(C([H])([H])C([H])([H])C([H])([H])OC2=C([H])C([H])=C(OC([H])([H])[H])C([H])=C2[H])C([H])([H])C1([H])[H])C([H])([H])[H]	350
[H]C1=C([H])C(Cl)=C2N(C3=C(C2=C1[H])C([H])([H])N(C([H])([H])C([H])([H])C([H])([H])OC1=C([H])C([H])=C(F)C([H])=C1[H])C([H])([H])C3([H])[H])C([H])([H])[H]	225
[H]C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])C#CC([H])([H])N1C([H])([H])C2=C(N(C3=C([H])C([H])=C([H])C([H])=C23)C([H])([H])[H])C([H])([H])C1([H])[H]	1775
[H]C1=C([H])C([H])=C2C(=C1[H])N(C1=C2C([H])([H])N(C([H])([H])C([H])([H])C([H])([H])OC2=C([H])C([H])=C(Cl)C([H])=C2[H])C([H])([H])C1([H])[H])C([H])([H])[H]	200
[H]C1=C2N(C3=C(C2=C([H])C(Cl)=C1[H])C([H])([H])N(C([H])([H])C([H])([H])C([H])([H])OC1=C([H])C([H])=C(F)C([H])=C1[H])C([H])([H])C3([H])[H])C([H])([H])[H]	270
[H]C1=C([H])C([H])=C(OC([H])([H])C([H])([H])C([H])([H])N2C([H])([H])C3=C(N(C4=C([H])C([H])=C([H])C([H])=C34)C([H])([H])[H])C([H])([H])C2([H])[H])C([H])=C1[H]	100
[H]C1=C2N(C3=C(C2=C([H])C(OC([H])([H])[H])=C1[H])C([H])([H])N(C([H])([H])C([H])([H])C([H])([H])OC1=C([H])C([H])=C(F)C([H])=C1[H])C([H])([H])C3([H])[H])C([H])([H])[H]	165
[H]C1=C([H])C([H])=C(C([H])=C1[H])C(=O)C([H])([H])C([H])([H])C([H])([H])N1C([H])([H])C2=C(N(C3=C([H])C([H])=C([H])C([H])=C23)C([H])([H])[H])C([H])([H])C1([H])[H]	168
[H]OC([H])([H])C([H])([H])C([H])([H])N1C([H])([H])C2=C(N(C3=C([H])C([H])=C([H])C([H])=C23)C([H])([H])[H])C([H])([H])C1([H])[H]	1120
[H]C1=C([H])C([H])=C(OC([H])([H])C([H])([H])C([H])([H])N2C([H])([H])C3=C(C4=C([H])C([H])=C([H])C([H])=C4N3C([H])([H])[H])C([H])([H])C2([H])[H])C([H])=C1[H]	620
[H]N([H])C1=C([H])C([H])=C(OC([H])([H])C([H])([H])C([H])([H])N2C([H])([H])C3=C(N(C4=C([H])C([H])=C([H])C([H])=C34)C([H])([H])[H])C([H])([H])C2([H])[H])C([H])=C1[H]	190
[H]C1=NC2=C([H])C([H])=C([H])C([H])=C2C(=C1[H])N1C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])N2C([H])=NC3=C(C4=C(S3)C([H])([H])N(C([H])([H])[H])C([H])([H])C4([H])[H])C2=O)C([H])([H])C1([H])[H]	1
[H]C1=C([H])C2=C(C([H])=C(O[11C]([H])([H])[H])C([H])=C2[H])C(=C1[H])N1C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])C([H])([H])C([H])([H])N2N=C([H])C(=O)N(C2=O)C([H])([H])[H])C([H])([H])C1([H])[H]	228.6
[H]N1C([H])([H])[C@]2([H])N(C3=NC(=C([H])C([H])=C3C2([H])[H])C([H])([H])OC([H])([H])C2([H])C([H])([H])C2([H])[H])[C@]([H])(C([H])([H])[H])C1([H])[H]	720
[H]C1=NC2=C(C3=C(S2)C([H])([H])N(C([H])([H])[H])C([H])([H])C3([H])[H])C(=O)N1C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N(C2=C([H])N=C([H])C3=C([H])C([H])=C([H])C([H])=C23)C([H])([H])C1([H])[H]	10
[H]N(C(=O)C([H])([H])[H])C1=C([H])C([H])=C([H])C(=C1[H])N1C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])S(=O)(=O)C([H])([H])C2([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C2([H])[H])C([H])([H])C1([H])[H]	5000
[H]N(C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1OC([3H])([3H])[3H])C([H])([H])C([H])([H])C1=C(OC([3H])([3H])[3H])C([H])=C(I)C(OC([H])([H])[H])=C1[H]	500
[H]N(C(=O)N([H])[C@@]1([H])C([H])([H])[C@@]2([H])N(C([H])([H])C3=C([H])[C@@]4([H])N(C(=O)C([H])([H])[H])[C@@]([H])(C3([H])[H])C([H])([H])C([H])([H])C4([H])[H])[C@]([H])(C([H])([H])C2([H])[H])C1([H])[H])C1=C([H])C(=C([H])C(F)=C1[H])C(F)(F)F	3000
[H]N([H])C1=NC2=C([H])C([H])=C(Cl)C(Cl)=C2C([H])([H])N1[H]	43
[H]N([H])C1=NC2=C([H])C([H])=C([H])C([H])=C2[C@]([H])(N1[H])C([H])([H])C([H])([H])[H]	24
[H]N([H])C1=NC2=C(F)C([H])=C([H])C([H])=C2C([H])([H])N1[H]	1990
[H]N([H])C1=NC2=C([H])C(F)=C([H])C([H])=C2C([H])([H])N1[H]	647
[H]N([H])C1=NC2=C([H])C(Cl)=C([H])C([H])=C2C([H])([H])N1[H]	347
[H]N([H])C1=NC2=C([H])C([H])=C(Cl)C([H])=C2C([H])([H])N1[H]	807
[H]N([H])C1=NC2=C([H])C([H])=C([H])C(=C2C([H])([H])N1[H])C([H])([H])[H]	145
[H]N([H])C1=NC2=C([H])C([H])=C(Cl)C(OC([H])([H])[H])=C2[C@]([H])(N1[H])C([H])([H])[H]	22.9
[H]N([H])C1=NC2=C(OC([H])([H])[H])C([H])=C([H])C([H])=C2[C@@]([H])(N1[H])C([H])([H])[H]	6.3
[H]N([H])C1=NC2=C([H])C([H])=C(Cl)C(Cl)=C2[C@@]([H])(N1[H])C([H])([H])C([H])([H])[H]	26.5
[H]N([H])C1=NC2=C([H])C([H])=C([H])C(Cl)=C2C([H])([H])N1[H]	99
[H]N([H])C1=NC2=C([H])C([H])=C([H])C([H])=C2[C@]([H])(N1[H])C([H])([H])[H]	38
[H]N1C(=NC2=C([H])C([H])=C([H])C([H])=C2C1([H])[H])N(C([H])([H])[H])C([H])([H])[H]	2800
[H]N([H])C1=NC2=C([H])C([H])=C([H])C([H])=C2C([H])([H])N1[H]	658
[H]N([H])C1=NC2=C(OC([H])([H])[H])C([H])=C([H])C([H])=C2C([H])([H])N1[H]	97
[H]N([H])C1=NC2=C(C([H])=C([H])C([H])=C2C([H])([H])N1[H])C([H])([H])[H]	463
[H]N([H])C1=NC2=C(Cl)C([H])=C([H])C([H])=C2C([H])([H])N1[H]	892
[H]N([H])C1=NC2=C([H])C(OC([H])([H])[H])=C([H])C([H])=C2C([H])([H])N1[H]	1375
[H]N([H])C1=NC2=C([H])C(=C([H])C([H])=C2C([H])([H])N1[H])C([H])([H])[H]	274
[H]N([H])C1=NC2=C([H])C([H])=C(F)C([H])=C2C([H])([H])N1[H]	911
[H]N([H])C1=NC2=C([H])C([H])=C(C([H])=C2C([H])([H])N1[H])C([H])([H])[H]	882
[H]N([H])C1=NC2=C([H])C([H])=C([H])C(F)=C2C([H])([H])N1[H]	550
[H]N([H])C1=NC2=C([H])C([H])=C([H])C(Cl)=C2[C@]([H])(N1[H])C([H])([H])C([H])([H])[H]	84.4
[H]N([H])C1=NC2=C(Cl)C([H])=C([H])C(Cl)=C2[C@]([H])(N1[H])C([H])([H])[H]	6.5
[H]N([H])C1=NC2=C(OC([H])([H])[H])C([H])=C(Cl)C(=C2[C@]([H])(N1[H])C([H])([H])[H])C([H])([H])[H]	4.7
[H]N(C1=NC2=C(OC([H])(C([H])([H])[H])C([H])([H])[H])C([H])=C([H])C([H])=C2[C@@]([H])(N1[H])C([H])([H])[H])C([H])([H])[H]	25.4
[H]N([H])C1=NC2=C(OC([H])(C([H])([H])[H])C([H])([H])[H])C([H])=C([H])C([H])=C2[C@]([H])(N1[H])C([H])([H])[H]	10
[H]N(C1=NC2=C([H])C([H])=C(Cl)C(Cl)=C2[C@]([H])(N1[H])C([H])([H])[H])C([H])([H])[H]	6.3
[H]N([H])C1=NC2=C([H])C([H])=C(Cl)C(Cl)=C2[C@]([H])(N1[H])C([H])([H])[H]	2
[H]N(C1=NC2=C([H])C([H])=C([H])C(Cl)=C2[C@]([H])(N1[H])C([H])([H])[H])C([H])([H])[H]	10.8
[H]N(C1=NC2=C([H])C([H])=C([H])C([H])=C2C([H])([H])N1[H])C([H])([H])[H]	1791
[H]N([H])C1=NC2=C([H])C([H])=C([H])C([H])=C2C(N1[H])(C([H])([H])[H])C([H])([H])[H]	1172
[H]N([H])C1=NC2=C([H])C([H])=C([H])C([H])=C2[C@@]([H])(N1[H])C([H])([H])C([H])([H])C([H])([H])[H]	805
[H]C1=C([H])C(OC([H])([H])C([H])([H])F)=C(OC([H])([H])[H])C(=C1[H])C(=O)C1([H])C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])C2=C([H])C([H])=C(C([H])=C2[H])C([H])([H])[H])C([H])([H])C1([H])[H]	1684
[H]C1=C([H])C(OC([H])([H])C([H])([H])F)=C(OC([H])([H])[H])C(=C1[H])C(=O)C1([H])C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])C2=C([H])C([H])=C(F)C([H])=C2[H])C([H])([H])C1([H])[H]	1584
[H]O[C@]([H])(C1=C([H])C([H])=C([H])C(OC([H])([H])C([H])([H])F)=C1OC([H])([H])[H])C1([H])C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])C2=C([H])C([H])=C(F)C([H])=C2[H])C([H])([H])C1([H])[H]	8407
[H]C1=C([H])C(OS(=O)(=O)C(F)(F)F)=C2C(=C1[H])[C@]([H])(C([H])([H])[H])[C@]([H])(N(C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C2([H])[H]	3448
[H]N(C1=NC2=C(Cl)C([H])=C([H])C(Cl)=C2[C@]([H])(N1[H])C([H])([H])[H])C([H])([H])C([H])(F)F	33.4
[H]N(C1=NC2=C([H])C([H])=C(Cl)C(OC([H])([H])[H])=C2[C@@]([H])(N1[H])C([H])([H])[H])C([H])([H])C([H])(F)F	22.2
[H]N(C1=NC2=C(OC([H])(C([H])([H])[H])C([H])([H])[H])C([H])=C([H])C([H])=C2[C@]([H])(N1[H])C([H])([H])[H])C([H])([H])C([H])(F)F	22.2
[H]N(C1=NC2=C(OC([H])([H])[H])C([H])=C([H])C([H])=C2[C@@]([H])(N1[H])C([H])([H])[H])C([H])([H])C([H])(F)F	28.2
[H]N(C1=NC2=C([H])C([H])=C([H])C([H])=C2[C@]([H])(N1[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[H]	153
[H]N(C1=NC2=C([H])C([H])=C([H])C([H])=C2[C@]([H])(N1[H])C([H])([H])[H])C([H])([H])C([H])([H])C1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	124
[H]N(C1=NC2=C([H])C([H])=C([H])C([H])=C2[C@@]([H])(N1[H])C([H])([H])[H])C([H])([H])[C@]1([H])OC([H])([H])C([H])([H])OC1([H])[H]	96
[H]N(C1=NC2=C([H])C([H])=C([H])C([H])=C2[C@]([H])(N1[H])C([H])([H])[H])C([H])([H])[C@]1([H])OC([H])([H])C([H])([H])C1([H])[H]	163
[H]N(C1=NC2=C([H])C([H])=C([H])C([H])=C2[C@]([H])(N1[H])C([H])([H])[H])C([H])([H])[C@]1([H])OC2=C(OC1([H])[H])C([H])=C([H])C([H])=C2[H]	37
[H]N(C1=NC2=C([H])C([H])=C([H])C([H])=C2[C@]([H])(N1[H])C([H])([H])[H])C([H])([H])C([H])([H])OC([H])([H])C([H])([H])C([H])([H])[H]	241
[H]N(C([H])([H])C([H])([H])C([H])([H])[H])[C@]1([H])C([H])([H])C([H])([H])C2=C(OC([H])([H])[H])C([H])=C([H])C([H])=C2[C@]1([H])C([H])([H])[H]	2331
[H]C1=C([H])C(OC([H])([H])[H])=C2C(=C1[H])[C@]([H])(C([H])([H])[H])[C@]([H])(N(C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C2([H])[H]	168
[H]N(C([H])([H])C([H])([H])C([H])([H])[H])[C@]1([H])C([H])([H])C([H])([H])C2=C(OS(=O)(=O)C(F)(F)F)C([H])=C([H])C([H])=C2[C@]1([H])C([H])([H])[H]	3067
[H]N(C([H])([H])C([H])([H])C([H])([H])[H])[C@]1([H])C([H])([H])C([H])([H])C2=C(C([H])=C([H])C([H])=C2[C@]1([H])C([H])([H])[H])C(=O)OC([H])([H])[H]	287
[H]C1=C2OC([H])([H])OC2=C([H])C2=C1C1=C3C(=C([H])C(OC([H])([H])[H])=C1OC([H])([H])[H])C([H])([H])C([H])([H])N(C([H])([H])[H])[C@@]3([H])C2([H])[H]	2224
[H]N(C(=O)O\N=C(\C1=C([H])C(=C([H])C([H])=C1[H])C1=C([H])C([H])=C([H])S1)C([H])([H])[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	1
[H]N1C([H])=C(C2=C1C([H])=C([H])C(C#N)=C2[H])[C@@]1([H])C([H])([H])C([H])([H])[C@@]([H])(N(C([H])([H])[H])C([H])([H])[H])C1([H])[H]	1000
[H]N([H])N1C(=O)C2=C(N=C1C([H])([H])C([H])([H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N(C3=NC4=C([H])C([H])=C([H])C([H])=C4C([H])=C3[H])C([H])([H])C1([H])[H])C([H])([H])C([H])([H])C([H])([H])C2([H])[H]	1000
CCCCN1CCC(COC(=O)C2=C3OCCOC3=C(NC)C(Cl)=C2)CC1	8589
[H]N([H])C1=NC([H])=C([H])C(=N1)C1=C([H])N([H])C2=C([H])C([H])=C([H])C(OC([H])([H])[H])=C12	1525
[H]N([H])[C@@]([H])(C([H])([H])[H])C([H])([H])C1=C([H])C(OC([H])([H])[H])=C(I)C([H])=C1OC([H])([H])[H]	1000
[H]C1=C([H])C(OC([H])([H])C([H])([H])N2C([H])([H])C([H])([H])C([H])(C([H])([H])C3=C([H])C([H])=C([H])C(=C3[H])N3C([H])([H])C([H])([H])C([H])([H])S3(=O)=O)C([H])([H])C2([H])[H])=C2C([H])=C([H])C(=NC2=C1[H])C([H])([H])[H]	1584.89
[H]N(C1=C([H])C(=C([H])C([H])=C1[H])C([H])([H])C1([H])C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])OC2=C3C([H])=C([H])C(=NC3=C([H])C([H])=C2[H])C([H])([H])[H])C([H])([H])C1([H])[H])S(=O)(=O)C([H])([H])[H]	1258.93
[H]C1=C([H])C2=C(C([H])=C1[H])C1=C([H])C([H])=C([H])C(I)=C1N=C2OC([H])([H])C1([H])C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C1([H])[H]	5805
[H]C1=NC2=C(C([H])=C1[H])C(OC([H])([H])C1([H])C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])C([H])([H])C3=C([H])C([H])=C(I)C([H])=C3[H])C([H])([H])C1([H])[H])=NC1=C(F)C([H])=C([H])C([H])=C21	1700
[H]N(C(=O)N([H])C1=C([H])C(=C(Cl)C([H])=C1[H])C(F)(F)F)C1=C([H])C([H])=C(OC2=C([H])C([H])=NC(=C2[H])C(=O)N([H])C([H])([H])[H])C([H])=C1[H]	3296
[H]N1C([H])=C(C2=C([H])C(=C([H])C([H])=C12)C([H])([H])N1C([H])([H])C([H])([H])C([H])([H])N(C([H])([H])[H])S1(=O)=O)C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H]	126
[H]N1C([H])=C(C2=C([H])C(=C([H])C([H])=C12)C([H])([H])N1C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])N([H])S1(=O)=O)C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H]	1000
[H]N1C([H])=C(C2=C([H])C(=C([H])C([H])=C12)C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])[H])S1(=O)=O)C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H]	163
[H]N1C([H])=C(C2=C([H])C(=C([H])C([H])=C12)C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N([H])S1(=O)=O)C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H]	126
[H]N1C([H])=C(C2=C([H])C(=C([H])C([H])=C12)N1C([H])([H])C([H])([H])N(C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])S1(=O)=O)C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H]	79
[H]N1C([H])=C(C2=C([H])C(=C([H])C([H])=C12)C([H])([H])N1C([H])([H])C([H])([H])N(C([H])(C([H])([H])[H])C([H])([H])[H])S1(=O)=O)C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H]	501
[H]N1C([H])=C(C2=C([H])C(=C([H])C([H])=C12)C([H])([H])N1C([H])([H])C(N([H])S1(=O)=O)(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H]	251
CN1CCN(CC2=CC=C3SC=C(CCN)C3=C2)S1(=O)=O	1995
[H]N(C([H])([H])[H])S(=O)(=O)C([H])([H])C1=C([H])C([H])=C2N([H])C([H])=C(C2=C1[H])C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H]	501
[H]N1C([H])=C(C2=C([H])C(=C([H])C([H])=C12)C([H])([H])N1C([H])([H])C([H])([H])N([H])S1(=O)=O)C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H]	794
[H]N1C([H])=C(C2=C([H])C(=C([H])C([H])=C12)N1C([H])([H])C([H])([H])N(C([H])([H])[H])S1(=O)=O)C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H]	631
[H]N1C([H])=C(C2=C([H])C(=C([H])C([H])=C12)C([H])([H])N1C([H])([H])C([H])([H])N(C([H])([H])[H])S1(=O)=O)C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H]	794
[H]N(C(=O)C([H])([H])[H])C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])N1C([H])([H])C([H])([H])N(C([H])([H])C2=C([H])C([H])=C3N([H])C([H])=C(C3=C2[H])C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H])S1(=O)=O	200
[H]N(C([H])([H])[H])C([H])([H])C([H])([H])C1=C([H])N([H])C2=C([H])C([H])=C(C([H])=C12)C([H])([H])N1C([H])([H])C([H])([H])N(C([H])([H])[H])S1(=O)=O	794
[H]N([H])C([H])([H])C([H])([H])C1=C([H])N([H])C2=C([H])C([H])=C(C([H])=C12)C([H])([H])N1C([H])([H])C([H])([H])N(C([H])([H])[H])S1(=O)=O	631