smile	binding.affinity
[H]N(C(=O)C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C([H])([H])C1([H])C([H])([H])C([H])([H])N(C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	560
[H]N(C(=O)C1=C([H])C([H])=C([H])C([H])=C1C([H])([H])[H])C([H])([H])C([H])([H])C1([H])C([H])([H])C([H])([H])N(C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	1000
[H]N(C(=O)C1=C([H])C([H])=C([H])C(=C1[H])C([H])([H])[H])C([H])([H])C([H])([H])C1([H])C([H])([H])C([H])([H])N(C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	469.945
[H]N(C(=O)C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[H])C([H])([H])C([H])([H])C1([H])C([H])([H])C([H])([H])N(C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	179.89
[H]N(C(=O)C1=C([H])C([H])=C([H])C([H])=C1[N+]([O-])=O)C([H])([H])C([H])([H])C1([H])C([H])([H])C([H])([H])N(C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	880
[H]N(C(=O)C1=C([H])C([H])=C([H])C(=C1[H])[N+]([O-])=O)C([H])([H])C([H])([H])C1([H])C([H])([H])C([H])([H])N(C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	230
[H]N(C(=O)C1=C([H])C([H])=C(C([H])=C1[H])[N+]([O-])=O)C([H])([H])C([H])([H])C1([H])C([H])([H])C([H])([H])N(C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	54.975
[H]N(C(=O)C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H])C([H])([H])C([H])([H])C1([H])C([H])([H])C([H])([H])N(C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	88
[H]N(C(=O)C1=C([H])C([H])=C(Cl)C([H])=C1[H])C([H])([H])C([H])([H])C1([H])C([H])([H])C([H])([H])N(C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	180
[H]N(C(=O)C1=C([H])C([H])=C(F)C([H])=C1[H])C([H])([H])C([H])([H])C1([H])C([H])([H])C([H])([H])N(C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	85
[H]N(C(=O)C1=C([H])C([H])=C(C([H])=C1[H])C(=O)C([H])([H])[H])C([H])([H])C([H])([H])C1([H])C([H])([H])C([H])([H])N(C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	51
[H]N(C(=O)C1=C([H])C([H])=C(C([H])=C1[H])S(=O)(=O)C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C([H])([H])C1([H])C([H])([H])C([H])([H])N(C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	29
[H]N(C(=O)C1=C([H])C([H])=C([H])C([H])=N1)C([H])([H])C([H])([H])C1([H])C([H])([H])C([H])([H])N(C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	800
[H]N(C(=O)C1=C([H])C([H])=C([H])N=C1[H])C([H])([H])C([H])([H])C1([H])C([H])([H])C([H])([H])N(C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	69
[H]N(C(=O)C1=C([H])C([H])=NC([H])=C1[H])C([H])([H])C([H])([H])C1([H])C([H])([H])C([H])([H])N(C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	39
[H]N(C(=O)C1=C([H])C([H])=[N+]([O-])C([H])=C1[H])C([H])([H])C([H])([H])C1([H])C([H])([H])C([H])([H])N(C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	155
[H]N(C(=O)C1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H])C([H])([H])C([H])([H])C1([H])C([H])([H])C([H])([H])N(C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	1600
[H]C1=C([H])C([H])=C(C([H])=C1[H])C(=O)C([H])([H])C([H])([H])C([H])([H])C1([H])C([H])([H])C([H])([H])N(C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	530
[H]C1=C([H])C([H])=C(C([H])=C1[H])C(=O)N(C([H])([H])[H])C([H])([H])C([H])([H])C1([H])C([H])([H])C([H])([H])N(C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	170
[H]C1=C([H])C([H])=C(C([H])=C1[H])C(=O)N(C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C([H])([H])C1([H])C([H])([H])C([H])([H])N(C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	940
[H]C1=C([H])C([H])=C(C([H])=C1[H])N(C(=O)C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C([H])([H])C1([H])C([H])([H])C([H])([H])N(C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	35
[H]C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])N1C([H])([H])C([H])([H])C([H])(C([H])([H])C([H])([H])N(C(=O)C2=C([H])C([H])=C(C([H])=C2[H])S(=O)(=O)C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])[H])C([H])([H])C1([H])[H]	0.56
[H]C1=C([H])C([H])=C(C([H])=C1[H])N(C(=O)C1=C([H])C([H])=C(C([H])=C1[H])S(=O)(=O)C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C([H])([H])C1([H])C([H])([H])C([H])([H])N(C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	0.6
[H]C1=C([H])C([H])=C(C([H])=C1[H])C(=O)N(C([H])([H])[H])C([H])([H])C([H])([H])C1([H])C([H])([H])C([H])([H])N(C([H])([H])C2=C(C([H])=C([H])C([H])=C2[H])C([H])([H])[H])C([H])([H])C1([H])[H]	770
[H]C1=C([H])C([H])=C(C([H])=C1[H])C(=O)N(C([H])([H])[H])C([H])([H])C([H])([H])C1([H])C([H])([H])C([H])([H])N(C([H])([H])C2=C([H])C([H])=C([H])C(=C2[H])C([H])([H])[H])C([H])([H])C1([H])[H]	145
[H]C1=C([H])C([H])=C(C([H])=C1[H])C(=O)N(C([H])([H])[H])C([H])([H])C([H])([H])C1([H])C([H])([H])C([H])([H])N(C([H])([H])C2=C([H])C([H])=C([H])C(=C2[H])[N+]([O-])=O)C([H])([H])C1([H])[H]	370
[H]C1=C([H])C([H])=C(C([H])=C1[H])C(=O)N(C([H])([H])[H])C([H])([H])C([H])([H])C1([H])C([H])([H])C([H])([H])N(C([H])([H])C2=C([H])C([H])=C(C([H])=C2[H])[N+]([O-])=O)C([H])([H])C1([H])[H]	3300
[H]C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])N1C([H])([H])C([H])([H])C([H])(C([H])([H])C([H])([H])N2C([H])=C([H])C3=C([H])C([H])=C([H])C([H])=C3C2=O)C([H])([H])C1([H])[H]	1100
[H]C1=C([H])C([H])=C(C([H])=C1[H])N(C(=O)C1=C([H])C([H])=C(F)C([H])=C1[H])C([H])([H])C([H])([H])C1([H])C([H])([H])C([H])([H])N(C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	18
[H]C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])N1C([H])([H])C([H])([H])C([H])(C([H])([H])C([H])([H])N2C(=O)C3=C(C([H])=C(C([H])=C3[H])[N+]([O-])=O)C2=O)C([H])([H])C1([H])[H]	12.5
[H]C1=NC([H])=C([H])C(=C1[H])C(=O)N(C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C([H])([H])C1([H])C([H])([H])C([H])([H])N(C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	63.985
[H]C1=C2C(=O)N(C(=O)C2=C([H])C(=C1[H])[N+]([O-])=O)C([H])([H])C([H])([H])C1([H])C([H])([H])C([H])([H])N(C([H])([H])C2=C([H])C([H])=C(Cl)C([H])=C2[H])C([H])([H])C1([H])[H]	239.94
[H]C1=C2C(=O)N(C(=O)C2=C([H])C(=C1[H])[N+]([O-])=O)C([H])([H])C([H])([H])C1([H])C([H])([H])C([H])([H])N(C([H])([H])C2=C([H])C([H])=C(OC([H])([H])[H])C([H])=C2[H])C([H])([H])C1([H])[H]	440
[H]C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])N1C([H])([H])C([H])([H])C([H])(C([H])([H])C([H])([H])N(C(=O)C([H])([H])[H])C2=C([H])C([H])=C(OC([H])([H])[H])C([H])=C2[H])C([H])([H])C1([H])[H]	700
[H]C1=C([H])C([H])=C(C([H])=C1[H])N(C(=O)C1=C([H])C([H])=C(C([H])=C1[H])[N+]([O-])=O)C([H])([H])C([H])([H])C1([H])C([H])([H])C([H])([H])N(C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	5.4
[H]N([H])C1=C([H])C([H])=C2C(=O)N(C(=O)C2=C1[H])C([H])([H])C([H])([H])C1([H])C([H])([H])C([H])([H])N(C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	8.8
[H]N1C(=O)N(C(=O)C2=C([H])C([H])=C(Cl)C([H])=C12)C([H])([H])C([H])([H])C1([H])C([H])([H])C([H])([H])N(C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	4.5
[H]N([H])C1=C2C(=NC3=C([H])C([H])=C([H])C([H])=C13)C([H])([H])C([H])([H])C([H])([H])C2([H])[H]	61.75
[H]C1=C([H])C([H])=C(C([H])=C1[H])C(=O)C1=C([H])C([H])=C2C(=O)N(C(=O)C2=C1[H])C([H])([H])C([H])([H])C1([H])C([H])([H])C([H])([H])N(C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	2.4
[H]C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])N1C([H])([H])C([H])([H])C([H])(C([H])([H])C([H])([H])N(C(=O)C([H])([H])[H])C2=C([H])C([H])=C(F)C([H])=C2[H])C([H])([H])C1([H])[H]	205.06
[H]C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])N1C([H])([H])C([H])([H])C([H])(C([H])([H])C([H])([H])N2C(=O)C3=C([H])C([H])=C([H])C([H])=C3C([H])([H])C2([H])[H])C([H])([H])C1([H])[H]	1000
[H]C1=C([H])C([H])=C(C([H])=C1[H])N(C(=O)C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C1([H])C([H])([H])C([H])([H])N(C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	830
[H]C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])N1C([H])([H])C([H])([H])C([H])(C([H])([H])C([H])([H])N2C(=O)C3=C([H])C([H])=C([H])C(=C3C2=O)[N+]([O-])=O)C([H])([H])C1([H])[H]	9
[H]C1=C([H])C([H])=C(C([H])=C1[H])N(C(=O)C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H])C([H])([H])C([H])([H])C1([H])C([H])([H])C([H])([H])N(C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	590
[H]N1C2=C([H])C([H])=C([H])C([H])=C2C(=O)N(C([H])([H])C([H])([H])C2([H])C([H])([H])C([H])([H])N(C([H])([H])C3=C([H])C([H])=C([H])C([H])=C3[H])C([H])([H])C2([H])[H])C1([H])[H]	800
[H]N(C(=O)C1=C([H])C([H])=C2C(=O)N(C(=O)C2=C1[H])C([H])([H])C([H])([H])C1([H])C([H])([H])C([H])([H])N(C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]	2.2
[H]C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])N1C([H])([H])C([H])([H])C([H])(C([H])([H])N2C(=O)C3=C(C([H])=C(C([H])=C3[H])[N+]([O-])=O)C2=O)C([H])([H])C1([H])[H]	3000
[H]C1=C([H])C([H])=C2C(=O)N(C(=O)C2=N1)C([H])([H])C([H])([H])C1([H])C([H])([H])C([H])([H])N(C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	13
[H]C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])N1C([H])([H])C([H])([H])C([H])(C([H])([H])C([H])([H])N2C(=O)C3=C([H])C([H])=C(OC([H])([H])[H])C([H])=C3C2=O)C([H])([H])C1([H])[H]	8
[H]C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])N1C([H])([H])C([H])([H])C([H])(C([H])([H])C([H])([H])N2C(=O)C3=C([H])C([H])=C([H])C([H])=C3C([H])([H])C2=O)C([H])([H])C1([H])[H]	23
[H]C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])N1C([H])([H])C([H])([H])C([H])(C([H])([H])C([H])([H])N2C(=O)C([H])([H])C([H])([H])C([H])([H])C2([H])[H])C([H])([H])C1([H])[H]	270
[H]N(C(=O)C1=C([H])C([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C2C(=O)N(C(=O)C2=C1[H])C([H])([H])C([H])([H])C1([H])C([H])([H])C([H])([H])N(C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	1.2
[H]C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])N1C([H])([H])C([H])([H])C([H])(C([H])([H])C([H])([H])N(C(=O)C([H])([H])[H])C2=C([H])C(OC([H])([H])[H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	46.015
[H]N1C(=O)N(C(=O)C2=C([H])C([H])=C([H])C([H])=C12)C([H])([H])C([H])([H])C1([H])C([H])([H])C([H])([H])N(C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	4.2
[H]N([H])C1=C2C(=O)N(C(=O)C2=C([H])C([H])=C1[H])C([H])([H])C([H])([H])C1([H])C([H])([H])C([H])([H])N(C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	11
[H]C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])N1C([H])([H])C([H])([H])C([H])(C([H])([H])C([H])([H])N2C(=O)C3=C(C([H])=C([H])C([H])=C3[H])C2=O)C([H])([H])C1([H])[H]	30
[H]C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])N1C([H])([H])C([H])([H])C([H])(C([H])([H])C([H])([H])N2C(=O)C3=C([H])C([H])=C([H])C([H])=C3C2([H])[H])C([H])([H])C1([H])[H]	98
[H]C1=C([H])C([H])=C(C([H])=C1[H])N(C(=O)C1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H])C([H])([H])C([H])([H])C1([H])C([H])([H])C([H])([H])N(C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	9400
[H]N(C(=O)OC1=C([H])C([H])=C2N(C([H])([H])[H])[C@@]3([H])N(C([H])([H])[H])C([H])([H])C([H])([H])[C@]3(C2=C1[H])C([H])([H])[H])C([H])([H])[H]	20.345
[H]C1=C2C(=O)N(C(=O)C2=C([H])C(=C1[H])[N+]([O-])=O)C([H])([H])C([H])([H])C1([H])C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H]	6800
[H]C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])N1C([H])([H])C([H])([H])C([H])(C([H])([H])C([H])([H])N(C(=O)C([H])([H])[H])C2=C([H])C([H])=C([H])C(F)=C2[H])C([H])([H])C1([H])[H]	65
[H]C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])N1C([H])([H])C([H])([H])C([H])(C([H])([H])C([H])([H])N(C(=O)C([H])([H])[H])C([H])([H])[H])C([H])([H])C1([H])[H]	659.585
[H]C1=NC([H])=C([H])C(=C1[H])N(C(=O)C([H])([H])[H])C([H])([H])C([H])([H])C1([H])C([H])([H])C([H])([H])N(C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	108
[H]C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])N1C([H])([H])C([H])([H])C([H])(C([H])([H])C([H])([H])N2C([H])([H])C3=C([H])C([H])=C([H])C([H])=C3C([H])([H])C2([H])[H])C([H])([H])C1([H])[H]	1600
[H]C1=C([H])C([H])=C(C([H])=C1[H])N(C(=O)C([H])([H])[H])C([H])([H])C([H])([H])C1([H])C([H])([H])C([H])([H])N(C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	52
[H]C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])N1C([H])([H])C([H])([H])C([H])(C([H])([H])C([H])([H])N2C(=O)C([H])([H])C3=C([H])C([H])=C([H])C([H])=C3C2([H])[H])C([H])([H])C1([H])[H]	17
[H]N(C(=O)C1=C([H])C([H])=C([H])C([H])=C1[H])C1=C2C(=O)N(C(=O)C2=C([H])C([H])=C1[H])C([H])([H])C([H])([H])C1([H])C([H])([H])C([H])([H])N(C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	340
[H]C1=NC2=C([H])C([H])=C([H])C([H])=C2C(=O)N1C([H])([H])C([H])([H])C1([H])C([H])([H])C([H])([H])N(C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	1200
[H]N(C(=O)C([H])([H])[H])C1=C([H])C([H])=C2C(=O)N(C(=O)C2=C1[H])C([H])([H])C([H])([H])C1([H])C([H])([H])C([H])([H])N(C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	2.8
[H]N1C(=O)N(C([H])([H])C([H])([H])C2([H])C([H])([H])C([H])([H])N(C([H])([H])C3=C([H])C([H])=C([H])C([H])=C3[H])C([H])([H])C2([H])[H])C([H])([H])C2=C([H])C([H])=C([H])C([H])=C12	13
[H]C([H])(C#CC([H])([H])N1C([H])([H])C([H])([H])C([H])([H])C1([H])[H])N1C(=O)C([H])([H])C([H])([H])C1([H])[H]	750.85
[H]C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])N1C([H])([H])C([H])([H])C([H])(C([H])([H])C1([H])[H])[C@@]1([H])C(=O)C2=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C2C1([H])[H]	3300
[H]C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])N1C([H])([H])C([H])([H])C([H])(C([H])([H])[C@]2([H])C(=O)C3=C(C([H])=C(OC([H])([H])[H])C([H])=C3[H])C2([H])[H])C([H])([H])C1([H])[H]	6.4
[H]C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])N1C([H])([H])C([H])([H])C([H])(C([H])([H])[C@]2([H])C(=O)C3=C(C([H])=C([H])C(OC([H])([H])[H])=C3[H])C2([H])[H])C([H])([H])C1([H])[H]	81
[H]C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])C([H])(C([H])([H])[C@@]2([H])C(=O)C3=C(C([H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C3[H])C2([H])[H])C([H])([H])C1([H])[H]	180
[H]C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])N1C([H])([H])C([H])([H])C([H])(C([H])([H])[C@@]2([H])C(=O)C3=C(C([H])=C(OC([H])([H])[H])C([H])=C3OC([H])([H])[H])C2([H])[H])C([H])([H])C1([H])[H]	25
[H]C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])N1C([H])([H])C([H])([H])C([H])(C([H])([H])[C@]2([H])C(=O)C3=C(C([H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C3OC([H])([H])[H])C2([H])[H])C([H])([H])C1([H])[H]	13
[H]C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])N1C([H])([H])C([H])([H])C([H])(C([H])([H])C([H])([H])[C@@]2([H])C(=O)C3=C([H])C([H])=C([H])C([H])=C3C2([H])[H])C([H])([H])C1([H])[H]	150
[H]C1=C([H])C([H])=C(C(=C1[H])[N+]([O-])=O)C([H])([H])N1C([H])([H])C([H])([H])C([H])(C([H])([H])[C@@]2([H])C(=O)C3=C(C([H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C3[H])C2([H])[H])C([H])([H])C1([H])[H]	160
[H]C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])N1C([H])([H])C([H])([H])C([H])(C([H])([H])[C@@]2([H])C(=O)C3=C(C(OC([H])([H])[H])=C([H])C([H])=C3[H])C2([H])[H])C([H])([H])C1([H])[H]	12
[H]C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])N1C([H])([H])C([H])([H])C([H])(C([H])([H])[C@]2([H])C(=O)C3=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C3C2([H])[H])C([H])([H])C1([H])[H]	22
[H]C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])N1C([H])([H])C([H])([H])C([H])(C([H])([H])[C@@]2([H])C(=O)C3=C(C([H])=C([H])C(OC([H])([H])[H])=C3OC([H])([H])[H])C2([H])[H])C([H])([H])C1([H])[H]	85
[H]\C(=C1\C(=O)C2=C(C([H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C2[H])C1([H])[H])C1([H])C([H])([H])C([H])([H])N(C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	13
[H]C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])N1C([H])([H])C([H])([H])C([H])(C([H])([H])[C@@]2([H])C(=O)C3=C(C([H])=C([H])C([H])=C3[H])C([H])([H])C2([H])[H])C([H])([H])C1([H])[H]	2100
[H]O[C@]1([H])C2=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C2C([H])([H])[C@@]1([H])C([H])([H])C1([H])C([H])([H])C([H])([H])N(C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	300
[H]C1=C([H])C(=C([H])C(=C1[H])C([H])([H])N1C([H])([H])C([H])([H])C([H])(C([H])([H])[C@@]2([H])C(=O)C3=C(C([H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C3[H])C2([H])[H])C([H])([H])C1([H])[H])[N+]([O-])=O	4
[H]C1=C([H])C(=C([H])C([H])=C1[N+]([O-])=O)C([H])([H])N1C([H])([H])C([H])([H])C([H])(C([H])([H])[C@@]2([H])C(=O)C3=C(C([H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C3[H])C2([H])[H])C([H])([H])C1([H])[H]	100
[H]C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])N1C([H])([H])C([H])([H])C([H])(C([H])([H])[C@]2([H])C(=O)C3=C(C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C3[H])C2([H])[H])C([H])([H])C1([H])[H]	20
[H]C1=C([H])C(=C([H])C([H])=C1C([H])([H])[H])C([H])([H])N1C([H])([H])C([H])([H])C([H])(C([H])([H])[C@@]2([H])C(=O)C3=C(C([H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C3[H])C2([H])[H])C([H])([H])C1([H])[H]	40
[H]C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C1([H])C([H])([H])C([H])([H])N(C([H])([H])[C@@]2([H])C(=O)C3=C(C([H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C3[H])C2([H])[H])C([H])([H])C1([H])[H]	480
[H]C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])N1C([H])([H])C([H])([H])C([H])(C([H])([H])[C@@]2([H])C(=O)C3=C(C(OC([H])([H])[H])=C([H])C([H])=C3OC([H])([H])[H])C2([H])[H])C([H])([H])C1([H])[H]	36
[H]C1=C([H])C([H])=C(C(=C1[H])C([H])([H])[H])C([H])([H])N1C([H])([H])C([H])([H])C([H])(C([H])([H])[C@@]2([H])C(=O)C3=C(C([H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C3[H])C2([H])[H])C([H])([H])C1([H])[H]	10
[H]C1=C([H])C(=C([H])C(=C1[H])C([H])([H])N1C([H])([H])C([H])([H])C([H])(C([H])([H])[C@@]2([H])C(=O)C3=C(C([H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C3[H])C2([H])[H])C([H])([H])C1([H])[H])C([H])([H])[H]	2.35
[H]C1=C(OC([H])([H])[H])C(OC([H])([H])[H])=C([H])C2=C1C(=O)[C@]([H])(C([H])([H])C1([H])C([H])([H])C([H])([H])N(C([H])([H])C3([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C3([H])[H])C([H])([H])C1([H])[H])C2([H])[H]	8.9
[H]C1=C(C([H])([H])C2([H])C([H])([H])C([H])([H])N(C([H])([H])C3=C([H])C([H])=C([H])C([H])=C3[H])C([H])([H])C2([H])[H])C([H])([H])C2=C1C([H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C2[H]	4400
[H]C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])N1C([H])([H])C([H])([H])N(C([H])([H])[C@@]2([H])C(=O)C3=C(C([H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C3[H])C2([H])[H])C([H])([H])C1([H])[H]	94
[H]N1C([H])([H])C([H])([H])C([H])(C([H])([H])[C@@]2([H])C(=O)C3=C(C([H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C3[H])C2([H])[H])C([H])([H])C1([H])[H]	5400
[H]C1=C([H])C([H])=C2C([H])=C3C(=NC2=C1[H])C([H])([H])C([H])([H])C([H])([H])C3([H])[H]	136
[H]N(C(=O)OC1=C([H])C([H])=C2C(=C1[H])[C@]1([H])C([H])([H])[C@@]2([H])N(C([H])([H])C([H])([H])[H])C([H])([H])C1([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]	148
[H]N(C(=O)OC1=C([H])C([H])=C2N(C([H])([H])[H])[C@@]3([H])N(C([H])([H])[H])C([H])([H])C([H])([H])[C@]3(C2=C1[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]	148
[H]N(C(=O)OC1=C([H])C([H])=C2C(=C1[H])[C@]1([H])C([H])([H])[C@@]2([H])N(C([H])([H])[H])C([H])([H])C1([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]	156
[H]N(C(=O)OC1=C([H])C([H])=C2C(=C1[H])[C@]1(C([H])([H])[H])C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])[H])[C@]1([H])C2([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]	148
[H]O[C@]1([H])C2=C(N([H])[H])C3=C(N=C2C([H])([H])C([H])([H])C1([H])[H])C([H])=C([H])C([H])=C3[H]	1000
[H]O[C@]1([H])C2=NC3=C([H])C([H])=C([H])C([H])=C3C(N([H])[H])=C2C([H])([H])C([H])([H])C1([H])[H]	1430
[H]O[C@@]1([H])C([H])([H])C2=C(N([H])[H])C3=C([H])C([H])=C([H])C([H])=C3N=C2C([H])([H])C1([H])[H]	4820
[H]O[C@]1([H])C([H])([H])C2=NC3=C([H])C([H])=C([H])C([H])=C3C(N([H])[H])=C2C([H])([H])C1([H])[H]	1210
[H]N([H])C1=C([H])C2=C(C3=C([H])C([H])=C([H])C([H])=C3[H])[N+](=C3C([H])=C(N([H])[H])C([H])=C([H])C3=C2C([H])=C1[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1=C([H])N(N=N1)C([H])([H])C([H])([H])N([H])C1=C2C([H])=C([H])C([H])=C([H])C2=NC2=C1C([H])([H])C([H])([H])C([H])([H])C2([H])[H]	8.9
[H]O\N=C(\[H])C1=[N+](C([H])=C([H])C([H])=C1[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[N+]1=C(\C([H])=N\O[H])C([H])=C([H])C([H])=C1[H]	1300
[H]N([H])C1=C([H])C2=C(C3=C([H])C([H])=C([H])C([H])=C3[H])[N+](=C3C([H])=C(N([H])[H])C([H])=C([H])C3=C2C([H])=C1[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1=C([H])N=NN1C([H])([H])C([H])([H])N([H])C1=C2C([H])=C([H])C([H])=C([H])C2=NC2=C1C([H])([H])C([H])([H])C([H])([H])C2([H])[H]	0.205205
[H]\C(=C1/C(=O)C2=C(C([H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C2[H])C1([H])[H])C([H])([H])C1([H])C([H])([H])C([H])([H])N(C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	150
[H]C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]	3500
[H]N([H])C1=C([H])C2=C(C3=C([H])C([H])=C([H])C([H])=C3[H])[N+](=C3C([H])=C(N([H])[H])C([H])=C([H])C3=C2C([H])=C1[H])C([H])([H])C([H])([H])C([H])([H])[N+](C([H])([H])[H])(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H]	1665
[H]N(C(=O)OC1=C([H])C([H])=C2N(C([H])([H])[H])[C@@]3([H])N(C([H])([H])[H])C([H])([H])C([H])([H])[C@]3(C2=C1[H])C([H])([H])[H])C1=C([H])C([H])=C(C([H])=C1[H])C([H])(C([H])([H])[H])C([H])([H])[H]	8400
[H]N(C(=O)OC1=C([H])C([H])=C2N(C([H])([H])[H])[C@@]3([H])N(C([H])([H])C([H])([H])C4=NC([H])=C([H])C([H])=C4[H])C([H])([H])C([H])([H])[C@]3(C2=C1[H])C([H])([H])[H])C1=C([H])C([H])=C(C([H])=C1[H])C([H])(C([H])([H])[H])C([H])([H])[H]	4200
[H]N(C(=O)OC1=C([H])C([H])=C2N(C([H])([H])[H])[C@@]3([H])N(C([H])([H])C([H])([H])N4C([H])([H])C([H])([H])C([H])([H])C([H])([H])C4([H])[H])C([H])([H])C([H])([H])[C@]3(C2=C1[H])C([H])([H])[H])C1=C([H])C([H])=C(C([H])=C1[H])C([H])(C([H])([H])[H])C([H])([H])[H]	3500
[H]N(C(=O)OC1=C([H])C([H])=C2N(C([H])([H])[H])[C@@]3([H])N(C([H])([H])C([H])([H])C4=C([H])C([H])=C([H])C([H])=C4[H])C([H])([H])C([H])([H])[C@]3(C2=C1[H])C([H])([H])[H])C1=C([H])C2=C(OC([H])([H])O2)C([H])=C1[H]	1900
[H]N(C(=O)OC1=C([H])C2=C(C([H])=C1[H])N(C([H])([H])[H])[C@@]1([H])N(C([H])([H])C([H])([H])C3=C([H])C([H])=C([H])C([H])=C3[H])C([H])([H])C([H])([H])[C@@]21C([H])([H])[H])C([H])([H])[H]	170
[H]N(C(=O)OC1=C([H])C([H])=C2N(C([H])([H])[H])[C@@]3([H])N(C([H])([H])C([H])([H])C4=C([H])C([H])=C([H])C([H])=C4[H])C([H])([H])C([H])([H])[C@]3(C2=C1[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]	3285
[H]N(C(=O)OC1=C([H])C([H])=C2N(C([H])([H])[H])[C@@]3([H])N(C([H])([H])C([H])([H])C4=C([H])C([H])=C([H])C([H])=C4[H])C([H])([H])C([H])([H])[C@]3(C2=C1[H])C([H])([H])[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	1600
[H]N(C(=O)OC1=C([H])C([H])=C2N(C([H])([H])[H])[C@@]3([H])N(C([H])([H])C([H])([H])C4=C([H])C([H])=C([H])C([H])=C4[H])C([H])([H])C([H])([H])[C@]3(C2=C1[H])C([H])([H])[H])C([H])([H])C1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	2500
[H]N(C(=O)OC1=C([H])C([H])=C2N(C([H])([H])[H])[C@@]3([H])N(C([H])([H])C([H])([H])C4=C([H])C([H])=C([H])C([H])=C4[H])C([H])([H])C([H])([H])[C@]3(C2=C1[H])C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]	180
[H]N(C(=O)OC1=C([H])C([H])=C2N(C([H])([H])[H])[C@@]3([H])N(C([H])([H])C([H])([H])C4=C([H])C([H])=C([H])C([H])=C4[H])C([H])([H])C([H])([H])[C@]3(C2=C1[H])C([H])([H])[H])C([H])([H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]	450
[H]C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[P@](F)(=O)OC([H])(C([H])([H])[H])C([H])([H])[H]	3210
[H]C1=C(Cl)C(Cl)=NC(OP(=O)(OC([H])([H])C([H])([H])[H])OC([H])([H])C([H])([H])[H])=C1Cl	63
[H]C1=C([H])C(=C([H])C([H])=C1OP(=O)(OC([H])([H])C([H])([H])[H])OC([H])([H])C([H])([H])[H])[N+]([O-])=O	13
[H]OC1=C([H])C(=C([H])C([H])=C1[H])[C@@]1(C([H])([H])C([H])([H])[H])C([H])([H])N(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N2C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@](C3=C([H])C(O[H])=C([H])C([H])=C3[H])(C([H])([H])C([H])([H])[H])C2([H])[H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	42
[H]OC1=C([H])C(=C([H])C([H])=C1[H])[C@@]1(C([H])([H])C([H])([H])[H])C([H])([H])N(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N2C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@](C3=C([H])C(O[H])=C([H])C([H])=C3[H])(C([H])([H])C([H])([H])[H])C2([H])[H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	1000
[H]C1=C([H])C(OC(=O)N(C([H])([H])[H])C([H])([H])C([H])([H])[H])=C([H])C(=C1[H])[C@@]([H])(N(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]	3305
[H]N(C(=O)OC1=C([H])C2=C(C([H])=C1[H])N(C([H])([H])C1=C([H])C([H])=C(Cl)C([H])=C1Cl)C([H])([H])C([H])([H])C2([H])[H])C1=C([H])C([H])=C([H])C([H])=C1F	2560
[H]N(C(=O)OC1=C([H])C2=C(C([H])=C1[H])N(C([H])([H])C1=C([H])C([H])=C(Cl)C([H])=C1Cl)C([H])([H])C([H])([H])C2([H])[H])C1=C([H])C([H])=C([H])C(=C1[H])C([H])([H])[H]	700
[H]N(C(=O)OC1=C([H])C2=C(C([H])=C1[H])N(C([H])([H])C1=C([H])C([H])=C(Cl)C([H])=C1Cl)C([H])([H])C([H])([H])C2([H])[H])C1=C([H])C([H])=C([H])C([H])=C1C([H])([H])[H]	2570
[H]C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])N1C([H])([H])C([H])([H])C([H])(C([H])([H])C([H])([H])C([H])([H])C2=NOC3=C2C([H])=C([H])C([H])=C3[H])C([H])([H])C1([H])[H]	899.5