smile	binding.affinity
[H]OC1=C([H])C([H])=C([H])C2=C1C([H])([H])[C@@]1(N(C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C1([H])[H])C([H])([H])O2	38.5
[H]C1=C([H])C(=C([H])S1)[C@@]([H])(OC1=C2C([H])=C([H])C([H])=C([H])C2=C([H])C([H])=C1[H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C([H])C([H])=C2OC([H])([H])[H])C([H])([H])C1([H])[H]	5000
[H]C1=C(C(=O)C([H])([H])C([H])([H])N2C([H])([H])C([H])([H])N(C3=C([H])C([H])=C([H])C([H])=C3OC([H])([H])[H])C([H])([H])C2([H])[H])C2=C(S1)C([H])=C([H])C([H])=C2[H]	5000
[H]O[C@@]([H])(C1=C([H])SC2=C1C([H])=C([H])C([H])=C2[H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C([H])C([H])=C2OC([H])([H])[H])C([H])([H])C1([H])[H]	5000
[H]C1=C([H])C2=C([H])C([H])=C([H])C(N3C([H])([H])C([H])([H])N(C([H])([H])N4C(=O)[C@@]5([H])N(C(=O)C4([H])[H])C([H])([H])C([H])([H])C5([H])[H])C([H])([H])C3([H])[H])=C2C([H])=C1[H]	8.9
[H]OC(=O)C([H])([H])N1C([H])([H])C([H])([H])N(C2=NC3=C(C([H])=C([H])C(F)=C3[H])N3C([H])=C([H])C([H])=C23)C([H])([H])C1([H])[H]	11.7
[H]OC(=O)C([H])([H])N1C([H])([H])C([H])([H])N(C2=NC3=C(C([H])=C([H])C(O[H])=C3[H])N3C([H])=C([H])C([H])=C23)C([H])([H])C1([H])[H]	2.1
[H]N([H])C(=O)C([H])([H])N1C([H])([H])C([H])([H])N(C2=NC3=C(C([H])=C([H])C(F)=C3[H])N3C([H])=C([H])C([H])=C23)C([H])([H])C1([H])[H]	7.3
[H]ON([H])C(=O)C([H])([H])N1C([H])([H])C([H])([H])N(C2=NC3=C(C([H])=C([H])C(F)=C3[H])N3C([H])=C([H])C([H])=C23)C([H])([H])C1([H])[H]	2.2
[H]ON([H])C(=O)C([H])([H])N1C([H])([H])C([H])([H])N(C2=NC3=C(N4C([H])=C([H])C([H])=C24)C(=C([H])C([H])=C3[H])C([H])([H])[H])C([H])([H])C1([H])[H]	3
[H]OC([H])([H])[C@]([H])(N1C([H])([H])C([H])([H])N(C2=NC3=C(N4C([H])=C([H])C([H])=C24)C(=C([H])C([H])=C3[H])C([H])([H])[H])C([H])([H])C1([H])[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	79
[H]O\N=C(/N([H])[H])C([H])([H])N1C([H])([H])C([H])([H])N(C2=NC3=C(C([H])=C([H])C(F)=C3[H])N3C([H])=C([H])C([H])=C23)C([H])([H])C1([H])[H]	0.8
[H]N1C([H])=NN=C1C([H])([H])N1C([H])([H])C([H])([H])N(C2=NC3=C(C([H])=C([H])C(F)=C3[H])N3C([H])=C([H])C([H])=C23)C([H])([H])C1([H])[H]	3.4
[H]N(C(=O)C([H])([H])N1C([H])([H])C([H])([H])N(C2=NC3=C(C([H])=C([H])C(F)=C3[H])N3C([H])=C([H])C([H])=C23)C([H])([H])C1([H])[H])S(=O)(=O)C([H])([H])[H]	246
[H]N1N=NN=C1C([H])([H])N1C([H])([H])C([H])([H])N(C2=NC3=C(C([H])=C([H])C(F)=C3[H])N3C([H])=C([H])C([H])=C23)C([H])([H])C1([H])[H]	65
[H]N1N=C(N([H])C1=O)C([H])([H])N1C([H])([H])C([H])([H])N(C2=NC3=C(C([H])=C([H])C(F)=C3[H])N3C([H])=C([H])C([H])=C23)C([H])([H])C1([H])[H]	17
[H]N1N=C(OC1=O)C([H])([H])N1C([H])([H])C([H])([H])N(C2=NC3=C(C([H])=C([H])C(F)=C3[H])N3C([H])=C([H])C([H])=C23)C([H])([H])C1([H])[H]	127
[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])N1C([H])([H])C([H])([H])N(C2=NC3=C(C([H])=C([H])C(F)=C3[H])N3C([H])=C([H])C([H])=C23)C([H])([H])C1([H])[H]	2
[H]OC([H])([H])[C@@]([H])(N([H])[H])C(=O)N1C([H])([H])C([H])([H])N(C2=NC3=C(C([H])=C([H])C(F)=C3[H])N3C([H])=C([H])C([H])=C23)C([H])([H])C1([H])[H]	237
[H]OC(=O)C([H])([H])N1C([H])([H])C([H])([H])N(C2=NC3=C(C([H])=C([H])C([H])=C3[H])C([H])=C2[H])C([H])([H])C1([H])[H]	11.2
[H]N1C([H])([H])C([H])([H])N(C2=NC3=C(C([H])=C([H])C([H])=C3[H])C([H])=C2[H])C([H])([H])C1([H])[H]	0.96
[H]C1=C([H])N2C(=C1[H])C(=NC1=C2C([H])=C([H])C(F)=C1[H])N1C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H]	0.805
[H]C1=C([H])N2C(=C1[H])C(=NC1=C2C([H])=C([H])C(F)=C1[H])N1C([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])N2C(=C1[H])C(=NC1=C2C(=C([H])C([H])=C1[H])C([H])([H])[H])N1C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H]	0.795
[H]OC1=C([H])C2=C(C([H])=C1[H])N1C([H])=C([H])C([H])=C1C(=N2)N1C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H]	0.7
[H]OC(=O)[C@]([H])(N1C([H])([H])C([H])([H])N(C2=NC3=C(N4C([H])=C([H])C([H])=C24)C(=C([H])C([H])=C3[H])C([H])([H])[H])C([H])([H])C1([H])[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	44
[H]N1C([H])=C(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([H])C([H])([H])C1([H])[H]	3235.93
[H]N1C([H])([H])C([H])([H])[C@@]([H])(C2=C([H])C([H])=C(F)C([H])=C2[H])[C@]([H])(C([H])([H])OC2=C([H])C3=C(OC([H])([H])O3)C([H])=C2[H])C1([H])[H]	2630.26
[H]N([H])C1=C(I)C([H])=C(C(=O)N([H])[C@@]2([H])C([H])([H])[N@]3C([H])([H])C([H])([H])[C@]2([H])C([H])([H])C3([H])[H])C(OC([H])([H])[H])=C1[H]	1.91
[H]N([H])C1=C([H])C(OC([H])([H])[H])=C(C([H])=C1Cl)C(=O)N([H])[C@@]1([H])C([H])([H])[N@]2C([H])([H])C([H])([H])[C@]1([H])C([H])([H])C2([H])[H]	0.46
[H]N([H])C1=C(Cl)C([H])=C(C(=O)N([H])[C@]2([H])C([H])([H])[N@]3C([H])([H])C([H])([H])[C@]2([H])C([H])([H])C3([H])[H])C(OC([H])([H])[H])=C1I	0.052
[H]N(C(=O)C1=C([H])C(Cl)=C([H])C(I)=C1OC([H])([H])[H])[C@]1([H])C([H])([H])[N@]2C([H])([H])C([H])([H])C1([H])C([H])([H])C2([H])[H]	0.15
[H]N1C(=C([H])C2=C1C([H])=C([H])C([H])=C2[H])C(=O)O[C@@]1([H])C([H])([H])C2([H])N([H])[C@]([H])(C([H])([H])C2([H])[H])C1([H])[H]	32
[H]C1=C(N(C2=C1C([H])=C([H])C([H])=C2[H])C([H])([H])[H])C(=O)O[C@@]1([H])C([H])([H])C2([H])N(C([H])([H])[H])[C@]([H])(C([H])([H])C2([H])[H])C1([H])[H]	18
[H]N1C2([H])C([H])([H])C([H])([H])[C@]1([H])C([H])([H])[C@@]([H])(OC(=O)C1=C([H])C3=C(C([H])=C([H])C([H])=C3[H])N1C([H])([H])[H])C2([H])[H]	25
[H]N1C([H])=NC(=C1[H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N(C2=NC3=C([H])C(F)=C([H])C([H])=C3N3C([H])=C([H])C([H])=C23)C([H])([H])C1([H])[H]	330.2
[H]N1C(=NC([H])([H])C1([H])[H])C([H])([H])N1C([H])([H])C([H])([H])N(C2=NC3=C([H])C(F)=C([H])C([H])=C3N3C([H])=C([H])C([H])=C23)C([H])([H])C1([H])[H]	30
[H]N([H])N([H])C(=O)C([H])([H])N1C([H])([H])C([H])([H])N(C2=NC3=C([H])C(F)=C([H])C([H])=C3N3C([H])=C([H])C([H])=C23)C([H])([H])C1([H])[H]	44.3
[H]C1=C([H])N(C([H])=N1)C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N(C2=NC3=C([H])C(F)=C([H])C([H])=C3N3C([H])=C([H])C([H])=C23)C([H])([H])C1([H])[H]	22.21
[H]C1=C([H])N(C([H])=N1)C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N(C2=NC3=C([H])C([H])=C([H])C(=C3N3C([H])=C([H])C([H])=C23)C([H])([H])[H])C([H])([H])C1([H])[H]	17.84
[H]N1C([H])=C([H])N=C1C([H])([H])N1C([H])([H])C([H])([H])N(C2=NC3=C([H])C(F)=C([H])C([H])=C3N3C([H])=C([H])C([H])=C23)C([H])([H])C1([H])[H]	5.6
[H]C1=C([H])N2C(=C1[H])C(=NC1=NC([H])=C([H])C([H])=C21)N1C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H]	2.4
[H]C1=C([H])N2C(=C1[H])C(=NC1=NC([H])=C([H])C([H])=C21)N1C([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]	2.2
[H]OC1=C([H])C([H])=C2N3C([H])=C([H])C([H])=C3C(=NC2=C1[H])N1C([H])([H])C([H])([H])N(C([H])([H])C2=C([H])N([H])C([H])=N2)C([H])([H])C1([H])[H]	2.25
[H]N1C([H])=NC(=C1[H])C([H])([H])N1C([H])([H])C([H])([H])N(C2=NC3=C([H])C(F)=C([H])C([H])=C3N3C([H])=C([H])C([H])=C23)C([H])([H])C1([H])[H]	0.68
[H]N1C([H])=NC(=C1[H])C([H])([H])N1C([H])([H])C([H])([H])N(C2=NC3=C([H])C([H])=C([H])C(=C3N3C([H])=C([H])C([H])=C23)C([H])([H])[H])C([H])([H])C1([H])[H]	0.49
[H]C1=C([H])N2C(=C1[H])C(=NC1=C([H])C([H])=C([H])C(F)=C21)N1C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H]	0.44
[H]C1=C([H])N2C(=C1[H])C(=NC1=C([H])C([H])=C([H])C(=C21)C([H])([H])[H])N1C([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([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]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]	110
[H]N1C([H])([H])C([H])([H])N(C2=NC([H])=C([H])C([H])=N2)C([H])([H])C1([H])[H]	4000
[H]C1=C([H])C([H])=C2C([H])=C([H])C(=NC2=C1[H])N(C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[H]	1000
[H]N([H])C1=C([H])C([H])=C2C([H])=C([H])C([H])=C([H])C2=N1	1000
[H]N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C([H])C([H])=C2OC([H])([H])[H])C([H])([H])C1([H])[H]	324
[H]C([H])([H])C([H])([N+]([O-])=O)C([H])([H])[H]	30
[H]N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C(OC([H])([H])[H])C([H])=C2[H])C([H])([H])C1([H])[H]	340
[H]N1C([H])([H])C([H])([H])C([H])(C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	440
[H]C1=C([H])C(OC([H])([H])[H])=C2N=C(C([H])=C([H])C2=C1[H])N1C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H]	440
[H]N1C([H])([H])C([H])([H])N(C2=NC3=C(OC([H])([H])[H])C([H])=C([H])C([H])=C3C([H])=C2[H])C([H])([H])C1([H])[H]	360
[H]N1C(=NC(=O)C2=C([H])C([H])=C([H])C([H])=C12)N1C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H]	270
[H]N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C([H])C(Cl)=C2[H])C([H])([H])C1([H])[H]	60
[H]N1C([H])([H])C([H])([H])N(C2=NC(Cl)=C([H])N=C2[H])C([H])([H])C1([H])[H]	29
[H]C1=C([H])C([H])=C2C([H])=C([H])C(=NC2=C1[H])N1C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C1([H])[H]	15
[H]C1=C([H])C([H])=C2C([H])=C([H])C(=NC2=C1[H])N1C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	1000
[H]N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C(Cl)C([H])=C2[H])C([H])([H])C1([H])[H]	120
[H]N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	430
[H]N1C([H])([H])C([H])([H])N(C2=NC3=C(C([H])=C([H])C([H])=C3C([H])=C2[H])C([H])([H])[H])C([H])([H])C1([H])[H]	4.7
[H]N1C([H])=C(C(=O)O[C@@]2([H])C([H])([H])[C@@]3([H])N(C([H])([H])[H])[C@]([H])(C([H])([H])C3([H])[H])C2([H])[H])C2=C([H])C([H])=C([H])C([H])=C12	2.2
[H]N(C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])C([H])(C([H])([H])OC(=O)C2=C([H])N(C3=C([H])C([H])=C([H])C([H])=C23)C([H])([H])[H])C([H])([H])C1([H])[H])S(=O)(=O)C([H])([H])[H]	1000
[H]O[C@]([H])(C([H])([H])OC1=C([H])C([H])=C([H])C([H])=C1C([H])([H])C([H])=C([H])[H])C([H])([H])N([H])C([H])(C([H])([H])[H])C([H])([H])[H]	1000
[H]C1=C([H])C([H])=C(N2C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])N3C(=O)C([H])([H])C4(C([H])([H])C([H])([H])C([H])([H])C4([H])[H])C([H])([H])C3=O)C([H])([H])C2([H])[H])C(OC([H])([H])[H])=C1[H]	1000
[H]N1C([H])([H])C([H])([H])N(C2=C3OC([H])([H])C([H])([H])OC3=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	1000
[H]N(C([H])([H])C([H])([H])N1C(=O)C([H])([H])C2(C([H])([H])C([H])([H])C([H])([H])C2([H])[H])C([H])([H])C1=O)C([H])([H])[C@@]1([H])OC2=C(OC1([H])[H])C([H])=C([H])C([H])=C2[H]	1000
[H]C1=C([H])C([H])=C2C(=O)N(C(=O)C2=C1[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C([H])C([H])=C2OC([H])([H])[H])C([H])([H])C1([H])[H]	1000
[H]C1=C([H])C([H])=C2C(=C1[H])C([H])([H])[C@]2([H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N(C2=C3OC([H])([H])C([H])([H])OC3=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	371.53
[H]C1=C([H])C([H])=C2C(=C1[H])C([H])([H])C([H])(N1C([H])([H])C([H])([H])N(C3=C4OC([H])([H])C([H])([H])OC4=C([H])C([H])=C3[H])C([H])([H])C1([H])[H])C2([H])[H]	1000
[H]C1=C([H])C([H])=C2C(=C1[H])C([H])([H])C([H])([H])[C@]2([H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N(C2=C3OC([H])([H])C([H])([H])OC3=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	53.7
[H]N1C(=O)C2(N(C3=C([H])C([H])=C([H])C([H])=C3[H])C1([H])[H])C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])C([H])([H])C(=O)C1=C([H])C([H])=C(F)C([H])=C1[H])C([H])([H])C2([H])[H]	1000
[H]O[C@@]([H])(C([H])([H])OC1=C2SC([H])([H])C([H])([H])C([H])([H])C2=C([H])C([H])=C1[H])C([H])([H])N([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]	1000
[H]N(C(=O)[C@@]([H])(C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C([H])C([H])=C2OC([H])([H])[H])C([H])([H])C1([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]	1000
[H]N([H])C1=C(Cl)C([H])=C(C(=O)OC([H])([H])C2([H])C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C2([H])[H])C2=C1OC([H])([H])C([H])([H])O2	398.1
[H]N1C([H])=C2C3=C(C(=C([H])C([H])=C13)C(=O)C([H])([H])[H])C([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])C2([H])[H]	1000
[H]N(C(=O)C1=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])(C([H])([H])[H])C([H])([H])[H])C([H])([H])O2)C([H])(C([H])([H])[H])C([H])([H])[H]	500
[H]N([H])C(=O)C1=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])(C([H])([H])[H])C([H])([H])[H])C([H])([H])O2	500
[H]N1C(=O)C([H])([H])C([H])([H])C2=C1C([H])=C(OC([H])([H])C([H])([H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N(C3=C([H])C([H])=C([H])C(Cl)=C3Cl)C([H])([H])C1([H])[H])C([H])=C2[H]	630
[H]N1C2=C(N=C3C([H])=C([H])C([H])=C([H])C3=C1N1C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H])C([H])=C([H])C(Cl)=C2[H]	144.5
[H]OC1(C2=C([H])C([H])=C(Cl)C([H])=C2[H])C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])C([H])([H])C(=O)C2=C([H])C([H])=C(F)C([H])=C2[H])C([H])([H])C1([H])[H]	5500
[H]N([H])[C@]([H])(C([H])([H])[H])C([H])([H])C1=C([H])N([H])C2=C1C([H])=C(OC([H])([H])C1=C([H])C([H])=C([H])S1)C([H])=C2[H]	316.23
[H]N(C(=O)C1=C([H])C([H])=C(C([H])=C1[H])C1=C(C([H])=C(C([H])=C1[H])C1=NOC(=N1)C([H])([H])[H])C([H])([H])[H])C1=C([H])C([H])=C(OC([H])([H])[H])C(=C1[H])N1C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H]	6309.57
[H]N1C2=C([H])C([H])=C([H])C([H])=C2N=C2SC(=C([H])C2=C1N1C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H])C([H])([H])[H]	57
[H]C1=C([H])C([H])=C2C(OC3=C(C([H])=C(Cl)C([H])=C3[H])[C@]3([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[C@@]23[H])=C1[H]	3000
[H]OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N(C2=NC3=C([H])C([H])=C([H])C([H])=C3SC3=C2C([H])=C([H])C([H])=C3[H])C([H])([H])C1([H])[H]	170
[H]C1=C(Cl)C([H])=C(C([H])=C1Cl)C(=O)O[C@@]1([H])C([H])([H])[C@@]2([H])N(C([H])([H])[H])[C@]([H])(C([H])([H])C2([H])[H])C1([H])[H]	0.8
[H]N1C([H])=NC(=C1[H])C([H])([H])C([H])([H])C([H])([H])OC1=C([H])C([H])=C(C([H])=C1[H])C(=O)C1([H])C([H])([H])C1([H])[H]	302
[H]N([H])C(\SC([H])([H])C([H])([H])C([H])([H])C1=C([H])N=C([H])N1[H])=N/C([H])([H])C1=C([H])C([H])=C(Cl)C([H])=C1[H]	7.41
[H]N(C(=S)N1C([H])([H])C([H])([H])C([H])(C2=C([H])N=C([H])N2[H])C([H])([H])C1([H])[H])C1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	2290.87
[H]N(C(=O)N1C(=O)N(C2=C1C([H])=C([H])C([H])=C2[H])C([H])([H])C([H])([H])[H])[C@@]1([H])C([H])([H])[C@@]2([H])N(C([H])([H])[H])[C@]([H])(C([H])([H])C2([H])[H])C1([H])[H]	1.3
[H]C1=C([H])N(C(=N1)C([H])([H])[H])C([H])([H])[C@]1([H])C(=O)C2=C(N(C3=C([H])C([H])=C([H])C([H])=C23)C([H])([H])[H])C([H])([H])C1([H])[H]	2.08
[H]N([H])C1=C(Cl)C([H])=C(C(=O)C([H])([H])C([H])([H])C2([H])C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C2([H])[H])C(OC([H])([H])[H])=C1[H]	828.51
[H]N([H])C1=C(Cl)C([H])=C(C(=O)C([H])([H])C([H])([H])C2([H])C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])N([H])S(=O)(=O)C([H])([H])[H])C([H])([H])C2([H])[H])C(OC([H])([H])[H])=C1[H]	1885.4
[H]N1N=C(C([H])=C([H])C1=O)C1=C([H])C([H])=C(OC([H])([H])C([H])([H])C([H])([H])N2C([H])([H])C([H])([H])C([H])([H])[C@@]2([H])C([H])([H])[H])C([H])=C1[H]	8.5
[H]N1N=C([H])C(=C([H])C1=O)C1=C([H])C([H])=C(OC([H])([H])C([H])([H])C([H])([H])N2C([H])([H])C([H])([H])C([H])([H])[C@@]2([H])C([H])([H])[H])C([H])=C1[H]	18.25
[H]C1=NN(C(=O)C([H])=C1C1=C([H])C([H])=C(OC([H])([H])C([H])([H])C([H])([H])N2C([H])([H])C([H])([H])C([H])([H])[C@@]2([H])C([H])([H])[H])C([H])=C1[H])C([H])([H])[H]	17.75
[H]C1=NN(C(=O)C([H])=C1C1=C([H])C([H])=C(OC([H])([H])C([H])([H])C([H])([H])N2C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C2([H])[H])C([H])=C1[H])C([H])([H])[H]	22
[H]C1=NN(C(=O)C([H])=C1C1=C([H])C([H])=C(OC([H])([H])C([H])([H])C([H])([H])N2C([H])([H])C([H])([H])C([H])([H])[C@@]2([H])C([H])([H])[H])C([H])=C1[H])C([H])(C([H])([H])[H])C([H])([H])[H]	7
[H]N1N=C(C(=C([H])C1=O)C1=C([H])C([H])=C(OC([H])([H])C([H])([H])C([H])([H])N2C([H])([H])C([H])([H])C([H])([H])[C@@]2([H])C([H])([H])[H])C([H])=C1[H])C([H])([H])[H]	14.05
[H]N1N=C(C(=C([H])C1=O)C1=C([H])C([H])=C(OC([H])([H])C([H])([H])C([H])([H])N2C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C2([H])[H])C([H])=C1[H])C([H])([H])[H]	7.5
[H]C1=C([H])C(=C([H])C([H])=C1OC([H])([H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])C([H])([H])[C@@]1([H])C([H])([H])[H])C1=C([H])C(=O)N(N=C1C([H])([H])[H])C([H])([H])[H]	12.25
[H]C1=C([H])C([H])=C([H])C(=N1)N1N=C([H])C(=C([H])C1=O)C1=C([H])C([H])=C(OC([H])([H])C([H])([H])C([H])([H])N2C([H])([H])C([H])([H])C([H])([H])[C@@]2([H])C([H])([H])[H])C([H])=C1[H]	8.8
[H]C1=C([H])C([H])=C([H])C(=N1)N1N=C([H])C(=C([H])C1=O)C1=C([H])C([H])=C(OC([H])([H])C([H])([H])C([H])([H])N2C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C2([H])[H])C([H])=C1[H]	12
[H]C1=C([H])C(=NC(=C1[H])C([H])([H])[H])N1N=C([H])C(=C([H])C1=O)C1=C([H])C([H])=C(OC([H])([H])C([H])([H])C([H])([H])N2C([H])([H])C([H])([H])C([H])([H])[C@@]2([H])C([H])([H])[H])C([H])=C1[H]	4.4
[H]C1=C([H])C([H])=C(C(=N1)N1N=C([H])C(=C([H])C1=O)C1=C([H])C([H])=C(OC([H])([H])C([H])([H])C([H])([H])N2C([H])([H])C([H])([H])C([H])([H])[C@@]2([H])C([H])([H])[H])C([H])=C1[H])C([H])([H])[H]	8.6
[H]C1=C([H])C([H])=C([H])C(=N1)N1N=C(C(=C([H])C1=O)C1=C([H])C([H])=C(OC([H])([H])C([H])([H])C([H])([H])N2C([H])([H])C([H])([H])C([H])([H])[C@@]2([H])C([H])([H])[H])C([H])=C1[H])C([H])([H])[H]	5
[H]C1=C([H])C([H])=C(C(=N1)N1N=C(C(=C([H])C1=O)C1=C([H])C([H])=C(OC([H])([H])C([H])([H])C([H])([H])N2C([H])([H])C([H])([H])C([H])([H])[C@@]2([H])C([H])([H])[H])C([H])=C1[H])C([H])([H])[H])C([H])([H])[H]	17
[H]N(C([H])([H])C([H])([H])C([H])([H])C([H])([H])N1C(=O)N2C([H])([H])SC([H])([H])[C@@]2([H])C1=O)C([H])([H])[C@]1([H])OC2=C(C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	1000
[H]N(C([H])([H])C([H])([H])C([H])([H])C([H])([H])N1C(=O)N2SC([H])([H])C([H])([H])[C@@]2([H])C1=O)C([H])([H])[C@]1([H])OC2=C(C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	1000
[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])N1C(=O)SC([H])([H])C1=O)C([H])([H])[C@]1([H])OC2=C(C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	12
[H]N(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N1C(=O)SC([H])([H])C1=O)C([H])([H])[C@@]1([H])OC2=C(C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	1000
[H]N(C([H])([H])C1=C([H])C(=C([H])C([H])=C1[H])C([H])([H])N1C(=O)N2C([H])([H])C([H])([H])C([H])([H])[C@@]2([H])C1=O)C([H])([H])[C@]1([H])OC2=C(C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	1000
[H]N(C([H])([H])C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])N1C(=O)N2C([H])([H])C([H])([H])C([H])([H])[C@@]2([H])C1=O)C([H])([H])[C@]1([H])OC2=C(C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	1000
[H]N(C([H])([H])C(\[H])=C(/[H])C([H])([H])N1C(=O)N2C([H])([H])C([H])([H])C([H])([H])[C@@]2([H])C1=O)C([H])([H])[C@@]1([H])OC2=C(C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	1000
[H]N(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N1C(=O)N2C([H])([H])C([H])([H])C([H])([H])[C@@]2([H])C1=O)C([H])([H])[C@]1([H])OC2=C(C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	1000
[H]N(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N1C(=O)N2C([H])([H])C([H])([H])C([H])([H])[C@@]2([H])C1=O)C([H])([H])[C@]1([H])OC2=C(C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	1000
[H]N(C([H])([H])C([H])([H])C([H])([H])N1C(=O)N2C([H])([H])C([H])([H])C([H])([H])[C@@]2([H])C1=O)C([H])([H])[C@]1([H])OC2=C(C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	1000
[H]N(C([H])([H])C([H])([H])C([H])([H])C([H])([H])N1C(=O)SC([H])([H])C1=O)C([H])([H])[C@]1([H])OC2=C(C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	1000
[H]N(C([H])([H])C([H])([H])C([H])([H])C([H])([H])N1C(=O)[C@]2([H])N(C(=O)C1([H])[H])C([H])([H])C([H])([H])C([H])([H])C2([H])[H])C([H])([H])[C@]1([H])OC2=C(C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	1000
[H]N(C([H])([H])C([H])([H])C([H])([H])C([H])([H])N1C(=O)[C@]2([H])N(C(=O)C1([H])[H])C([H])([H])C([H])([H])C2([H])[H])C([H])([H])[C@@]1([H])OC2=C(C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	1000
[H]N(C([H])([H])C([H])([H])C([H])([H])C([H])([H])N1C(=O)N2C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@@]2([H])C1=O)C([H])([H])[C@]1([H])OC2=C(C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	1000
[H]N(C([H])([H])C([H])([H])C([H])([H])C([H])([H])N1C(=O)N2C([H])([H])C([H])([H])C([H])([H])[C@]2([H])C1=O)C([H])([H])[C@@]1([H])OC2=C(C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	1000
[H]N([H])C1=C(Cl)C([H])=C(C(=O)N([H])[C@@]2([H])[C@@]3([H])C([H])([H])[N@@]4C([H])([H])[C@]([H])(C3([H])[H])C([H])([H])[C@@]2([H])C4([H])[H])C(OC([H])([H])[H])=C1[H]	9
[H]N([H])C1=C(Cl)C([H])=C(C(=O)N([H])[C@]2([H])C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])C([H])([H])OC3=C([H])C([H])=C(F)C([H])=C3[H])C([H])([H])[C@]2([H])OC([H])([H])[H])C(OC([H])([H])[H])=C1[H]	1500
[H]N([H])C1=C(Cl)C([H])=C(C(=O)N([H])[C@@]2([H])[C@@]3([H])C([H])([H])[C@]4([H])C([H])([H])[N@@](C([H])([H])[C@]24[H])C3([H])[H])C(OC([H])([H])[H])=C1[H]	2.55
[H]N(C([H])([H])C1=C([H])C([H])=C2C([H])=C([H])C([H])=C([H])C2=N1)C([H])([H])C([H])([H])C([H])([H])C([H])([H])N1C(=O)N2C([H])([H])C([H])([H])C([H])([H])[C@]2([H])C1=O	1000
[H]N(C([H])([H])C([H])([H])C1=C([H])C2=C([H])C([H])=C([H])C([H])=C2C([H])=C1[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N1C(=O)N2C([H])([H])C([H])([H])C([H])([H])[C@]2([H])C1=O	1000
[H]N(C([H])([H])C1=C([H])C([H])=C2C([H])=C([H])C([H])=C([H])C2=C1[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N1C(=O)N2C([H])([H])C([H])([H])C([H])([H])[C@@]2([H])C1=O	1000
[H]N(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N1C(=O)SC([H])([H])C1=O)C([H])([H])[C@@]1([H])OC2=C(C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	1000
[H]N(C(=O)C1=C([H])C2=C(OC([H])=C2[H])C([H])=N1)[C@@]1([H])C([H])([H])[N@@]2C([H])([H])C([H])([H])[C@@]([H])(C2([H])[H])C1([H])[H]	350
[H]N(C(=O)C1=C([H])C2=C(OC([H])=C2[H])C([H])=N1)[C@@]1([H])C([H])([H])[N@]2C([H])([H])C([H])([H])[C@]1([H])C([H])([H])C2([H])[H]	630
[H]N(C(=O)C1=C(C(=NC2=C([H])C([H])=C([H])C([H])=C12)N1C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])N([H])C(=O)C1=C(C(=NC2=C([H])C([H])=C([H])C([H])=C12)N1C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H])C([H])([H])[H]	15
[H]N(C(=O)C1=C(C(=NC2=C([H])C([H])=C([H])C([H])=C12)N1C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=O)C1=C(C(=NC2=C([H])C([H])=C([H])C([H])=C12)N1C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H])C([H])([H])[H]	28
[H]N(C(=O)C1=C(C(=NC2=C([H])C([H])=C([H])C([H])=C12)N1C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([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])N([H])C(=O)C1=C(C(=NC2=C([H])C([H])=C([H])C([H])=C12)N1C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H])C([H])([H])[H]	34.85
[H]N(C(=O)C1=C(C(=NC2=C([H])C([H])=C([H])C([H])=C12)N1C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([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]	71
[H]N(C(=O)C1=C2C([H])=C([H])C([H])=C([H])C2=NC(N2C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C2([H])[H])=C1C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])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]	37.3
[H]O[13C](=O)C([H])([H])N([H])C(=O)N([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=O)C1=C(C(=NC2=C([H])C([H])=C([H])C([H])=C12)N1C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H])C([H])([H])[H]	26
[H]O[13C](=O)C([H])([H])N([H])C(=O)N([H])C([H])([H])C([H])([H])OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])N([H])C(=O)C1=C(C(=NC2=C([H])C([H])=C([H])C([H])=C12)N1C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H])C([H])([H])[H]	141
[H]N(C(=O)OC(C([H])([H])[H])(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])N([H])C(=O)C1=C(C(=NC2=C([H])C([H])=C([H])C([H])=C12)N1C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H])C([H])([H])[H]	178
[H]N(C(=O)OC(C([H])([H])[H])(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])N([H])C(=O)C1=C(C(=NC2=C([H])C([H])=C([H])C([H])=C12)N1C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H])C([H])([H])[H]	72.5
[H]N(C(=O)OC(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])N([H])C(=O)C1=C(C(=NC2=C([H])C([H])=C([H])C([H])=C12)N1C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H])C([H])([H])[H]	89
[H]N([H])C(=O)C1=C([H])C([H])=C2OC([H])=C(C2=C1[H])C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H]	3981
[H]N([H])C(=O)C1=C([H])C([H])=C2OC([H])=C(C2=C1[H])C([H])([H])C([H])([H])N([H])[H]	7413
[H]N([H])C(=O)C1=C([H])C([H])=C2OC([H])([H])[C@]([H])(C2=C1[H])C([H])([H])C([H])([H])N([H])[H]	4266