smile	binding.affinity
[H]OC1=C([H])C2=C(O[H])C(=C(C([H])=C2C(C(=O)N([H])C([H])([H])[C@]([H])(C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])[H])=C1O[H])C([H])([H])[H])C1=C(O[H])C2=C([H])C(O[H])=C(O[H])C(C(=O)N([H])C([H])([H])[C@@]([H])(C3=C([H])C([H])=C([H])C([H])=C3[H])C([H])([H])[H])=C2C([H])=C1C([H])([H])[H]	240
[H]OC1=C([H])C2=C(O[H])C(=C(C([H])=C2C(C(=O)N([H])C2([H])C([H])([H])C3=C([H])C([H])=C([H])C([H])=C3C2([H])[H])=C1O[H])C([H])([H])[H])C1=C(O[H])C2=C([H])C(O[H])=C(O[H])C(C(=O)N([H])C3([H])C([H])([H])C4=C([H])C([H])=C([H])C([H])=C4C3([H])[H])=C2C([H])=C1C([H])([H])[H]	350
[H]OC1=C([H])C2=C(O[H])C(=C(C([H])=C2C(=C1O[H])C([H])([H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])[H])C1=C(O[H])C2=C([H])C(O[H])=C(O[H])C(=C2C([H])=C1C([H])([H])[H])C([H])([H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]	830
[H]OC1=C([H])C2=C(O[H])C(=C(C([H])=C2C(C(=O)N([H])C([H])([H])C2([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C2([H])[H])=C1O[H])C([H])([H])[H])C1=C(O[H])C2=C([H])C(O[H])=C(O[H])C(C(=O)N([H])C([H])([H])C3([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C3([H])[H])=C2C([H])=C1C([H])([H])[H]	780
[H]OC1=C([H])C2=C(O[H])C(=C(C([H])=C2C(C(=O)N([H])C([H])([H])C2=C(C([H])=C(C([H])=C2C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])=C1O[H])C([H])([H])[H])C1=C(O[H])C2=C([H])C(O[H])=C(O[H])C(C(=O)N([H])C([H])([H])C3=C(C([H])=C(C([H])=C3C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])=C2C([H])=C1C([H])([H])[H]	1100
[H]OC1=C([H])C2=C(O[H])C(=C(C([H])=C2C(=C1O[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C1=C(O[H])C2=C([H])C(O[H])=C(O[H])C(=C2C([H])=C1C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H]	2600
[H]OC1=C([H])C2=C(O[H])C(=C(C([H])=C2C(C(=O)N([H])C([H])([H])C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])=C1O[H])C([H])([H])[H])C1=C(O[H])C2=C([H])C(O[H])=C(O[H])C(C(=O)N([H])C([H])([H])C([H])([H])C3=C([H])C([H])=C([H])C([H])=C3[H])=C2C([H])=C1C([H])([H])[H]	300
[H]OC1=C([H])C2=C(O[H])C(=C(C([H])=C2C(C(=O)N([H])C([H])([H])C([H])([H])C2=C([H])C(Cl)=C([H])C([H])=C2[H])=C1O[H])C([H])([H])[H])C1=C(O[H])C2=C([H])C(O[H])=C(O[H])C(C(=O)N([H])C([H])([H])C([H])([H])C3=C([H])C([H])=C([H])C(Cl)=C3[H])=C2C([H])=C1C([H])([H])[H]	3200
[H]OC1=C([H])C2=C(O[H])C(=C(C([H])=C2C(C(=O)N([H])C([H])([H])C([H])([H])C2=C([H])C([H])=C(C([H])=C2[H])C([H])([H])C([H])([H])[H])=C1O[H])C([H])([H])[H])C1=C(O[H])C2=C([H])C(O[H])=C(O[H])C(C(=O)N([H])C([H])([H])C([H])([H])C3=C([H])C([H])=C(C([H])=C3[H])C([H])([H])C([H])([H])[H])=C2C([H])=C1C([H])([H])[H]	590
[H]OC1=C([H])C2=C(O[H])C(=C(C([H])=C2C(C(=O)N([H])[C@@]([H])(C2=C([H])C([H])=C(Cl)C([H])=C2[H])C([H])([H])[H])=C1O[H])C([H])([H])[H])C1=C(O[H])C2=C([H])C(O[H])=C(O[H])C(C(=O)N([H])[C@@]([H])(C3=C([H])C([H])=C(Cl)C([H])=C3[H])C([H])([H])[H])=C2C([H])=C1C([H])([H])[H]	230
[H]OC(=O)C([H])([H])C([H])([H])[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[H])C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])C([H])([H])C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)O[H])C([H])([H])C([H])([H])C([H])([H])N=C(N([H])[H])N([H])[H])C([H])([H])C(=O)O[H])C([H])([H])C([H])([H])SC([H])([H])[H])C([H])([H])O[H])C([H])([H])C(=O)O[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C1=C([H])N([H])C([H])=N1)C([H])([H])C([H])([H])C([H])([H])N=C(N([H])[H])N([H])[H])C([H])([H])[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])C(=O)N([H])[H])C([H])([H])C([H])([H])C([H])([H])N=C(N([H])[H])N([H])[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])C(=O)O[H]	32
[H]OC1=C(C([H])=O)C2=C(O[H])C(C3=C(C([H])=C4C(=C3O[H])C(C([H])=O)=C(O[H])C(O[H])=C4C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])=C(C([H])=C2C(=C1O[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]	2485
[H]OC1=C(O[H])C(=C([H])C(=C1O[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1C([H])(C([H])([H])[H])C([H])([H])[H])C(=O)N([H])C1=C([H])C([H])=C(C([H])=C1[H])S(=O)(=O)C1=C([H])C([H])=C([H])C([H])=C1C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]	645
[H]OC1=C(O[H])C(=C([H])C(=C1O[H])S(=O)(=O)N(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C(=O)N1C([H])([H])C2=C([H])C(=C([H])C([H])=C2C([H])([H])C1([H])[H])S(=O)(=O)N([H])C([H])([H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]	94.5
[H]OC1=C(O[H])C(=C2OC(=C([H])C(=O)C2=C1O[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]	1690
[H]OC1=C(O[H])C(=C2OC(=C(C(=O)C2=C1O[H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]	400
[H]OC1=C(O[H])C2=C(OC(=C(C2=O)C2=C([H])C([H])=C(C([H])=C2[H])C2=C(OC3=C(C(O[H])=C(O[H])C(O[H])=C3C2=O)C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C(=C1O[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]	18
[H]OC1=C(Br)C(O[H])=C2C3=C4C(C(=O)C5=C6C4=C4C2=C1C(=O)C1=C4C(C6=C(C(Br)=C5O[H])C([H])([H])[C@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])[H])=C(C(Br)=C1O[H])C([H])([H])[C@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])[H])=C(O[H])C(Br)=C3O[H]	3300
[H]OC(=O)[C@@]([H])(N1C(=S)S\C(=C(\[H])C2=C([H])N=C(C([H])=C2[H])C2=C([H])C([H])=C([H])C(OC([H])([H])[H])=C2OC([H])([H])[H])C1=O)C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]	3575
[H]OC(=O)[C@@]([H])(N1C(=S)S\C(=C(\[H])C2=C([H])N=C(C([H])=C2[H])C2=C([H])C([H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C2[H])C1=O)C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]	9000
[H]OC1=C([H])C2=C(C(=O)C(=C(C2=O)C2=C(C(=O)C3=C(C(O[H])=C(O[H])C([H])=C3C2=O)C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C(=C1O[H])C([H])(C([H])([H])[H])C([H])([H])[H]	485
[H]OC1=C([H])C2=C(C(=O)C(=C(C2=O)C2=C(C(=O)C3=C(C(O[H])=C(O[H])C([H])=C3C2=O)C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C(=C1O[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]	390
[H]OC1=C([H])C2=C(C(=O)C(=C(C2=O)C2=C(C(=O)C3=C(C(O[H])=C(O[H])C([H])=C3C2=O)C([H])([H])C([H])([H])C2=C([H])C([H])=C(C([H])=C2[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C(=C1O[H])C([H])([H])C([H])([H])C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[H]	1710
[H]OC1=C([H])C2=C(C(=O)C(=C(C2=O)C2=C(C(=O)C3=C(C(O[H])=C(O[H])C([H])=C3C2=O)C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])[H])C([H])([H])[H])C(=C1O[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]	200
[H]OC1=C([H])C2=C(C(=O)C(=C(C2=O)C2=C(C(=O)C3=C(C(O[H])=C(O[H])C([H])=C3C2=O)C([H])([H])C2([H])C([H])([H])C([H])([H])C([H])([H])C2([H])[H])C([H])([H])[H])C([H])([H])[H])C(=C1O[H])C([H])([H])C1([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	3745
[H]OC1=C([H])C2=C(C(=O)C(=C(C2=O)C2=C(C(=O)C3=C(C(O[H])=C(O[H])C([H])=C3C2=O)C([H])([H])C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])[H])C([H])([H])[H])C(=C1O[H])C([H])([H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]	1080
[H]OC1=C([H])C2=C(C(=O)C(=C(C2=O)C2=C(C(=O)C3=C(C(O[H])=C(O[H])C([H])=C3C2=O)C([H])([H])C([H])([H])C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])[H])C([H])([H])[H])C(=C1O[H])C([H])([H])C([H])([H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]	560
[H]OC1=C([H])C2=C(C(=O)C(=C(C2=O)C2=C(C(=O)C3=C(C(=O)N([H])C([H])([H])[C@@]([H])(C4=C([H])C([H])=C([H])C([H])=C4[H])C([H])([H])[H])C(O[H])=C(O[H])C([H])=C3C2=O)C([H])([H])[H])C([H])([H])[H])C(C(=O)N([H])C([H])([H])[C@]([H])(C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])[H])=C1O[H]	390
[H]OC1=C([H])C2=C(C(=O)C(=C(C2=O)C2=C(C(=O)C3=C(C(=O)N([H])C([H])([H])C([H])([H])C4=C([H])C([H])=C(C([H])=C4[H])C([H])([H])C([H])([H])[H])C(O[H])=C(O[H])C([H])=C3C2=O)C([H])([H])[H])C([H])([H])[H])C(C(=O)N([H])C([H])([H])C([H])([H])C2=C([H])C([H])=C(C([H])=C2[H])C([H])([H])C([H])([H])[H])=C1O[H]	265
[H]OC1=C([H])C2=C(C(=O)C(=C(C2=O)C2=C(C(=O)C3=C(C(=O)C([H])([H])C4=C([H])C([H])=C([H])C([H])=C4[H])C(O[H])=C(O[H])C([H])=C3C2=O)C([H])([H])[H])C([H])([H])[H])C(C(=O)C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])=C1O[H]	290
[H]OC1=C([H])C2=C(C(=O)C(=C(C2=O)C2=C(C(=O)C3=C(C(O[H])=C(O[H])C([H])=C3C2=O)C([H])([H])C2=C([H])C([H])=C(Cl)C([H])=C2[H])C([H])([H])[H])C([H])([H])[H])C(=C1O[H])C([H])([H])C1=C([H])C([H])=C(Cl)C([H])=C1[H]	335
[H]OC1=C(O[H])C([H])=C(C([H])=C1[H])C(=O)C([H])([H])SC1=NN=C(N1C([H])([H])C([H])=C([H])[H])C1=C([H])N=C([H])C([H])=C1[H]	9373
[H]N(C(=O)C([H])([H])SC1=NC2=C([H])C([H])=C([H])C([H])=C2C(=O)N1C([H])([H])C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H])C1=NC(=C([H])S1)C1=C([H])C(Br)=C([H])C([H])=C1[H]	2939
[H]N(\N=C1\C2=C(C([H])=C([H])C(F)=C2[H])S(=O)(=O)C([H])([H])C1([H])[H])S(=O)(=O)C1=C([H])C([H])=C(OC([H])([H])C([H])([H])[H])C([H])=C1[H]	5478
[H]N(N([H])C1=NC(=NC(=N1)N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])N1C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H])C(\[H])=C1/C([H])=C(Br)C([H])=C([H])C1=O	6338
[H]OC(=O)[C@@]1([H])N([H])C2=C(C([H])=C(OC(F)(F)F)C([H])=C2[H])[C@@]2([H])C([H])=C([H])C([H])([H])[C@@]12[H]	8627
[H]N(C(=O)C1=NN(C2=C([H])C([H])=C([H])C(=C2[H])C([H])([H])[H])C(=O)C([H])([H])C1([H])[H])C1=C([H])C(OC([H])([H])C([H])([H])[H])=C(C([H])=C1OC([H])([H])C([H])([H])[H])N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H]	4030
[H]N(C1=NC(=C([H])C(=N1)C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])[H])C1=NC(=O)C2=C(N1[H])C([H])=C(C([H])=C2[H])C([H])([H])[H]	2067
[H]C([H])([H])C([H])([H])C(=O)C1=C(N2C([H])([H])C([H])([H])C([H])([H])C2([H])[H])C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C1=O	1996
[H]OC(=O)C1=C([H])C(C2=C([H])C([H])=C(O2)C(\[H])=C2/SC(=O)N(C2=O)C([H])([H])C(=O)N([H])C2=C([H])C3=C(OC([H])([H])O3)C([H])=C2[H])=C(C([H])=C1[H])C([H])([H])[H]	4030
[H]N(C(=O)N([H])C1=C([H])C([H])=C(Cl)C([H])=C1[H])C1=C(Cl)C(=C([H])S1)S(=O)(=O)C([H])(C([H])([H])[H])C([H])([H])[H]	9697
[H]OC1=C([H])C(=C(O[H])C([H])=C1[H])S(=O)(=O)C1=C([H])C([H])=C([H])C2=C1C([H])=C([H])C([H])=C2S(=O)(=O)C1=C(O[H])C([H])=C([H])C(O[H])=C1[H]	8305
[H]N(C(=O)C([H])([H])OC(=O)C(\[H])=C(/[H])C1=C([H])C([H])=C(Br)O1)C1=C([H])C2=C(N([H])C(=O)N2[H])C([H])=C1[H]	4408
[H]N(C(=O)C([H])([H])N(C(=O)C(\[H])=C(/[H])C1=NC2=C([H])C([H])=C([H])C([H])=C2C([H])=C1[H])C([H])([H])C([H])([H])[H])C1=C(F)C([H])=C([H])C([H])=C1F	3455
[H]N(N([H])C(=O)C1=C([H])C([H])=C([H])C([H])=C1F)C(=O)C1=C([H])C(=C([H])C([H])=C1[H])N1C([H])=C([H])C([H])=C1[H]	9630
[H]N1C(=O)C([H])([H])OC2=C1C([H])=C(C([H])=C2[H])C(=O)C([H])([H])OC(=O)C(\[H])=C(/[H])C1=C([H])C([H])=C(Br)O1	4030
[H]N(C(=O)C([H])([H])N([H])C(=O)C1=C([H])C(=C([H])C([H])=C1[H])N1C([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C([H])C(=C1C([H])([H])[H])C([H])([H])[H]	8772
[H]N(C(=O)C([H])([H])N(C(=O)C1=C([H])C2=C(S1)C([H])([H])C([H])([H])C2([H])[H])C([H])([H])[H])C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H]	7310
[H]N(C(=O)C1=C([H])C(=C([H])C([H])=C1[H])N1C([H])=C([H])C([H])=C1[H])C1=C([H])C(=C(OC([H])([H])C([H])([H])[H])C([H])=C1[H])S(=O)(=O)N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H]	4030
[H]C1=C([H])C([H])=C2O[C@]([H])(C(=O)N3C([H])([H])C([H])([H])N(C([H])([H])C3([H])[H])S(=O)(=O)C3=C([H])C([H])=C(OC([H])([H])[H])C([H])=C3[H])C([H])([H])OC2=C1[H]	3515
[H]N(C(=O)C([H])([H])C([H])([H])[H])C1=C([H])C([H])=C(C([H])=C1[H])C(=O)C([H])([H])OC(=O)C1=NN2C(=N1)N=C([H])C([H])=C2C([H])([H])[H]	8739
[H]N([H])C1=C(C(=O)C([H])([H])OC2=C(N=C(C([H])=C2[H])C([H])([H])[H])[N+]([O-])=O)C(=O)N(C(=O)N1C([H])([H])[H])C([H])([H])[H]	8626
[H]C1=C([H])C([H])=C(O1)C(=O)C([H])([H])SC1=C([H])C([H])=C(Cl)C([H])=C1[H]	6272
[H]N([H])C(=O)C1=C(SC2=C1C([H])([H])C([H])([H])C2([H])[H])N([H])C(=O)C([H])([H])SC1=NN=C([H])N1C([H])([H])[H]	8582
[H]C1=C([H])C([H])=C(O1)C1=NC(C2=C([H])C([H])=C([H])O2)=C(N=C1C1=C([H])C([H])=C([H])O1)C1=C([H])C([H])=C([H])O1	1343
[H]N(C(=O)C([H])([H])C1=C([H])C([H])=C([H])S1)C1=NOC(=C1[H])C([H])([H])[H]	4051
[H]C1=C([H])C([H])=C(O1)C1=C(N=C(SC([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])N=N1)C1=C([H])C([H])=C([H])O1	2916
[H]N(C(=O)C([H])([H])N1C([H])=NC2=C(C([H])=C(S2)C2=C([H])C([H])=C([H])C([H])=C2[H])C1=O)C([H])([H])C1=C([H])C([H])=C([H])O1	5161
[H]OC1=C2OC3=C(C([H])=C2C([H])=C([H])C1=O)C1=C(N3[H])C([H])=C([H])C(Br)=C1[H]	447.75
[H]N(C(=O)C([H])([H])C1=C([H])C([H])=C([H])S1)C1=NN=C(S1)C([H])([H])C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C1[H]	5139
[H]N([H])C1=C([H])C([H])=C(C([H])=C1[H])C(=O)N([H])\N=C(/[H])C1=C([H])\C(=N\N([H])C2=C([H])C([H])=C([H])C3=C([H])C([H])=C([H])C([H])=C23)\C([H])=C([H])C1=O	6835
[H]N(C(=O)C([H])([H])C1=C([H])C([H])=C([H])S1)C1=NN=C(S1)C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]	7395
[H]C1=C([H])C([H])=C(O1)C(=O)N1C([H])([H])C([H])([H])N(C(=O)C([H])([H])OC(=O)C2=C([H])C(=NC3=C([H])C([H])=C([H])C([H])=C23)C2=C([H])C([H])=C([H])O2)C([H])([H])C1([H])[H]	6802
[H]N(C1=C([H])C([H])=C([H])C([H])=C1SC([H])([H])[H])S(=O)(=O)C1=C([H])C([H])=C(OC([H])([H])C(=O)OC([H])([H])[H])C([H])=C1[H]	4030
[H]OC1=C([H])\C(C([H])=C([H])C1=O)=C1/N([H])N2C(SC1([H])[H])=NN=C2C1=C([H])C([H])=C([H])O1	6158
[H]N(\N=C(/[H])C1=C([H])C(F)=C([H])C([H])=C1[H])C(=O)C1=C([H])C(=NC2=C([H])C([H])=C([H])C([H])=C12)C1=C([H])C([H])=C([H])O1	7186
[H]OC1=C(C([H])=C(C2=C1N=C([H])C([H])=C2[H])C([H])([H])N1C([H])([H])C([H])([H])C([H])([H])C1([H])[H])[N+]([O-])=O	2697
[H]N1C(SC2=C([H])C([H])=C(O2)C(\[H])=C2\C(=O)N([H])C(=O)N(C2=O)C2=C([H])C(Cl)=C([H])C([H])=C2[H])=NC2=C([H])C([H])=C([H])C([H])=C12	8640
[H]N(C(=O)[C@@]([H])(N([H])S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])O1	2016
[H]N1N=C(C([H])=C1C1=NN=C2SC([H])([H])C(=NN12)C1=C([H])C2=C([H])C([H])=C([H])C([H])=C2C([H])=C1[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	9601
[H]OC1=C(O[H])\C(=C(/[H])N([H])N([H])C(=O)C([H])([H])C([H])([H])C2=C([H])C([H])=C(C([H])=C2[H])S(=O)(=O)N2C([H])([H])C([H])([H])OC([H])([H])C2([H])[H])C([H])=C([H])C1=O	2333
[H]N([H])C1=NC([H])=C(C([H])=N1)C1=C([H])C([H])=C(C([H])=C1[H])[N+]([O-])=O	1742
[H]C1=C(SC(=C1[N+]([O-])=O)C([H])([H])C([H])([H])[H])C([H])(C1([H])C(=O)C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C1=O)C1([H])C(=O)C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C1=O	6080
[H]C([H])=C([H])C([H])([H])N1C(SC([H])([H])C(=O)C2=C(C(C(=O)OC([H])([H])[H])=C(N2[H])C([H])([H])[H])C([H])([H])[H])=NC2=C(C(=C([H])S2)C2=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C2[H])C1=O	4030
[H]OC(=O)C1=C([H])C([H])=C(C([H])=C1[H])[C@@]1([H])N([H])C2=C(C([H])=C(C([H])=C2[H])S(=O)(=O)N([H])C2=C(C(Cl)=C([H])C([H])=C2[H])C([H])([H])[H])[C@@]2([H])C([H])=C([H])C([H])([H])[C@@]12[H]	6538
[H]N=C1N2N=C(SC2=NC(=O)\C1=C(/[H])C1=C([H])C([H])=C([H])N1C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H])C1=C([H])C([H])=C([H])O1	4935
[H]OC1=C(N([H])C(\[H])=C2/C([H])=C(C([H])=C(C2=O)[N+]([O-])=O)C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2Cl)C([H])=C([H])C(=C1[H])C([H])([H])[H]	9130
[H]OC1=C([H])C([H])=C(C([H])=C1[H])C1=C(OC([H])([H])[H])C(=O)C2=C(O1)C([H])=C(O[H])C([H])=C2O[H]	5405
[H]N(C(=O)C1=C([H])C(=NC2=C1C([H])=C(Br)C([H])=C2[H])C1=C([H])N=C([H])C([H])=C1[H])C1=C([H])C([H])=C([H])C([H])=C1SC([H])([H])[H]	4261
[H]C1=C([H])C(=C([H])C([H])=C1C(=O)N(C1=NC2=C([H])C(=C([H])C(=C2S1)C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H])S(=O)(=O)N(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]	4940
[H]OC(=O)C([H])([H])C([H])([H])C([H])([H])C#CC([H])([H])C#CC([H])([H])C#CC([H])([H])C#CC([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]	441.49
[H]O\C(N([H])[H])=C1/C(=O)[C@]([H])(N(C([H])([H])[H])C([H])([H])[H])[C@@]2([H])C([H])([H])[C@]3([H])C(=C(O[H])C4=C(O[H])C([H])=C([H])C(N(C([H])([H])[H])C([H])([H])[H])=C4C3([H])[H])C(=O)[C@@]2(O[H])C1=O	9385
[H]C1=C([H])C2=C3C(=C([H])C([H])=C(SC4=C([H])C([H])=C(C([H])=C4[H])C([H])(C([H])([H])[H])C([H])([H])[H])C3=C1[H])C1=C(C#N)C(=O)N=C21	82
[H]C1=C([H])C2=C3C(=C([H])C([H])=C(SC4=C([H])C([H])=C(C([H])=C4[H])N(C([H])([H])[H])C([H])([H])[H])C3=C1[H])C1=C(C#N)C(=O)N=C21	91
[H]C1=C([H])C2=C3C(=C([H])C([H])=C(SC4=C([H])C([H])=C(C([H])=C4[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C3=C1[H])C1=C(C#N)C(=O)N=C21	773
[H]C1=C([H])C2=C3C(=C([H])C([H])=C(SC4=C([H])C([H])=C(Br)C([H])=C4[H])C3=C1[H])C1=C(C#N)C(=O)N=C21	49
[H]C1=C([H])C2=C3C(=C([H])C([H])=C(N4C([H])([H])C([H])([H])SC([H])([H])C4([H])[H])C3=C1[H])C1=C(C#N)C(=O)N=C21	58
[H]N([H])C1=C([H])C([H])=C(SC2=C([H])C([H])=C3C4=C(C#N)C(=O)N=C4C4=C3C2=C([H])C([H])=C4[H])C([H])=C1[H]	47.5
[H]C1=C([H])C2=C3C(=C([H])C([H])=C(OC4=C([H])C([H])=C(C([H])=C4[H])C([H])([H])[H])C3=C1[H])C1=C(C#N)C(=O)N=C21	1044.5
[H]C1=C([H])C([H])=C(C([H])=C1[H])C1=C([H])C([H])=C(OC2=C([H])C([H])=C3C4=C(C#N)C(=O)N=C4C4=C3C2=C([H])C([H])=C4[H])C([H])=C1[H]	1281
[H]C1=C([H])C2=C3C(=C([H])C([H])=C(OC4=C([H])C([H])=C(OC([H])([H])[H])C([H])=C4[H])C3=C1[H])C1=C(C#N)C(=O)N=C21	190
[H]C1=C([H])C2=C3C(=C([H])C([H])=C(OC4=C([H])C([H])=C(C([H])=C4[H])C([H])(C([H])([H])[H])C([H])([H])[H])C3=C1[H])C1=C(C#N)C(=O)N=C21	210
[H]C1=C([H])C2=C3C(=C([H])C([H])=C(OC4=C([H])C([H])=C(C([H])=C4[H])N(C([H])([H])[H])C([H])([H])[H])C3=C1[H])C1=C(C#N)C(=O)N=C21	122
[H]C1=C([H])C2=C3C(=C([H])C([H])=C(OC4=C([H])C([H])=C(C([H])=C4[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C3=C1[H])C1=C(C#N)C(=O)N=C21	967
[H]C1=C([H])C2=C3C(=C([H])C([H])=C(SC4=C([H])C([H])=C(C([H])=C4[H])C([H])([H])[H])C3=C1[H])C1=C(C#N)C(=O)N=C21	1511
[H]C1=C([H])C([H])=C(C([H])=C1[H])C1=C([H])C([H])=C(SC2=C([H])C([H])=C3C4=C(C#N)C(=O)N=C4C4=C3C2=C([H])C([H])=C4[H])C([H])=C1[H]	842
[H]C1=C([H])C2=C3C(=C([H])C([H])=C(SC4=C([H])C([H])=C(OC([H])([H])[H])C([H])=C4[H])C3=C1[H])C1=C(C#N)C(=O)N=C21	269.5
[H]N(C1=C([H])C([H])=C(C([H])=C1S(=O)(=O)C(F)(F)F)S(=O)(=O)N([H])C1=NC([H])=NC2=C([H])C(=C([H])C([H])=C12)N1C([H])([H])C([H])([H])N(C([H])([H])C2=C(C3=C([H])C([H])=C(Cl)C([H])=C3[H])C([H])([H])C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C2([H])[H])C([H])([H])C1([H])[H])[C@@]([H])(C([H])([H])SC1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H]	1000
[H]N(C1=C([H])C([H])=C(C([H])=C1[N+]([O-])=O)S(=O)(=O)N([H])C1=NC([H])=NC2=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])=C2C2=C([H])C([H])=C(Cl)C([H])=C2[H])C([H])([H])C1([H])[H])[C@@]([H])(C([H])([H])SC1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H]	1000
[H]N(C1=C([H])C([H])=C(C([H])=C1S(=O)(=O)C(F)(F)F)S(=O)(=O)N([H])C1=NC([H])=NC2=C([H])C(=C([H])C([H])=C12)N1C([H])([H])C([H])([H])N(C([H])([H])C2=C(C3=C([H])C([H])=C(Cl)C([H])=C3[H])C([H])([H])C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C2([H])[H])C([H])([H])C1([H])[H])[C@@]([H])(C([H])([H])SC1=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]	1000
[H]N(C1=C([H])C([H])=C(C([H])=C1[N+]([O-])=O)S(=O)(=O)N([H])C1=NC([H])=NC2=C([H])C(=C([H])C([H])=C12)N1C([H])([H])C([H])([H])N(C([H])([H])C2=C(C3=C([H])C([H])=C(Cl)C([H])=C3[H])C([H])([H])C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C2([H])[H])C([H])([H])C1([H])[H])[C@@]([H])(C([H])([H])SC1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H]	1000
[H]N(C1=C([H])C([H])=C(C([H])=C1[N+]([O-])=O)S(=O)(=O)N([H])C1=NC([H])=NC2=C([H])C(=C([H])C([H])=C12)N1C([H])([H])C([H])([H])N(C([H])([H])C2=C(C3=C([H])C([H])=C(Cl)C([H])=C3[H])C([H])([H])C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C2([H])[H])C([H])([H])C1([H])[H])[C@@]([H])(C([H])([H])SC1=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]	1000
[H]N(C1=C([H])C([H])=C(C([H])=C1S(=O)(=O)C(F)(F)F)S(=O)(=O)N([H])C1=NC([H])=NC2=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])=C2C2=C([H])C([H])=C(Cl)C([H])=C2[H])C([H])([H])C1([H])[H])[C@@]([H])(C([H])([H])SC1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H]	1000
[H]N(C1=C([H])C([H])=C(C([H])=C1S(=O)(=O)C(F)(F)F)S(=O)(=O)N([H])C1=NC([H])=NC2=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])=C2C2=C([H])C([H])=C(Cl)C([H])=C2[H])C([H])([H])C1([H])[H])[C@@]([H])(C([H])([H])SC1=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]	1000
[H]N(C1=C([H])C([H])=C(C([H])=C1[N+]([O-])=O)S(=O)(=O)N([H])C1=NC([H])=NC2=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])=C2C2=C([H])C([H])=C(Cl)C([H])=C2[H])C([H])([H])C1([H])[H])[C@@]([H])(C([H])([H])SC1=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]	1000
[H]C1=C([H])C([H])=C(C(OC2=C([H])C([H])=C3C4=C(C#N)C(=O)N=C4C4=C3C2=C([H])C([H])=C4[H])=C1[H])C([H])([H])[H]	213
[H]C1=C([H])C2=C3C(=C([H])C([H])=C(OC4=C([H])C([H])=C([H])C(=C4[H])C([H])([H])[H])C3=C1[H])C1=C(C#N)C(=O)N=C21	445
[H]C1=C([H])C([H])=C(OC([H])([H])[H])C(OC2=C([H])C([H])=C3C4=C(C#N)C(=O)N=C4C4=C3C2=C([H])C([H])=C4[H])=C1[H]	149
[H]C1=C([H])C2=C3C(=C([H])C([H])=C(OC4=C([H])C([H])=C([H])C(OC([H])([H])[H])=C4[H])C3=C1[H])C1=C(C#N)C(=O)N=C21	375
[H]C1=C([H])C2=C3C(=C([H])C([H])=C(OC4=C([H])C([H])=C(C([H])=C4[H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C3=C1[H])C1=C(C#N)C(=O)N=C21	24
[H]N(C(=O)C1=C([H])C([H])=C(C([H])=C1[H])C1=C([H])C([H])=C(Cl)C([H])=C1[H])S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])OC1=C([H])C([H])=C([H])C([H])=C1[H]	7260
[H]N(C(=O)C1=C([H])C([H])=C(C([H])=C1[H])C1=C([H])C(Cl)=C([H])C(Cl)=C1[H])S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])OC1=C([H])C([H])=C([H])C([H])=C1[H]	2510
[H]N(C(=O)C1=C([H])C([H])=C(C([H])=C1[H])C1=C([H])C([H])=C([H])C([H])=C1[H])S(=O)(=O)C1=C([H])C([H])=C(OC2=C([H])C([H])=C([H])C([H])=C2[H])C([H])=C1[H]	3560
[H]N(C(=O)C1=C([H])C([H])=C(C([H])=C1[H])C1=C([H])C(Cl)=C([H])C(Cl)=C1[H])S(=O)(=O)C1=C([H])C([H])=C(OC2=C([H])C([H])=C([H])C([H])=C2[H])C([H])=C1[H]	5080
[H]N(C(=O)C1=C([H])C([H])=C(C([H])=C1[H])C1=C([H])C(Cl)=C([H])C(Cl)=C1[H])S(=O)(=O)C1=C([H])C([H])=C(OC([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])=C1[H]	6300
[H]N(C(=O)C1=C([H])C(=C([H])C([H])=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])C(F)(F)F)S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])OC1=C([H])C([H])=C([H])C([H])=C1[H]	8370
[H]N(C(=O)C1=C([H])C(=C([H])C([H])=C1[H])C1=C([H])C(Cl)=C([H])C(Cl)=C1[H])S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])OC1=C([H])C([H])=C([H])C([H])=C1[H]	7570
[H]N(C(=O)C1=C([H])C(=C([H])C([H])=C1[H])C1=C([H])C(Cl)=C([H])C(Cl)=C1[H])S(=O)(=O)C1=C([H])C([H])=C(OC([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])=C1[H]	220
[H]N(C(=O)C1=C([H])C(=C([H])C([H])=C1[H])C1=C([H])C([H])=C(Cl)C([H])=C1Cl)S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])OC1=C([H])C([H])=C([H])C([H])=C1[H]	8690
[H]N(C(=O)C1=C([H])C(=C([H])C([H])=C1[H])C1=C([H])C([H])=C(Cl)C(Cl)=C1[H])S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])OC1=C([H])C([H])=C([H])C([H])=C1[H]	5760
[H]N(C(=O)C1=C([H])C(=C([H])C([H])=C1[H])C1=C([H])C([H])=C([H])C([H])=C1[H])S(=O)(=O)C1=C([H])C([H])=C(OC2=C([H])C([H])=C([H])C([H])=C2[H])C([H])=C1[H]	3240
[H]N(C(=O)C1=C([H])C(=C([H])C([H])=C1[H])C1=C([H])C(Cl)=C([H])C(Cl)=C1[H])S(=O)(=O)C1=C([H])C([H])=C(OC2=C([H])C([H])=C([H])C([H])=C2[H])C([H])=C1[H]	7110
[H]N(C(=O)C1=C([H])C(=C([H])C([H])=C1[H])C1=C([H])C(Cl)=C([H])C(Cl)=C1[H])S(=O)(=O)C1=C([H])N=C(OC2=C([H])C([H])=C([H])C([H])=C2[H])C([H])=C1[H]	9780
[H]N(C(=O)C1=C([H])C(=C([H])C([H])=C1[H])C1=C([H])C([H])=C([H])C(Cl)=C1Cl)S(=O)(=O)C1=C([H])C([H])=C(OC2=C([H])C([H])=C([H])C([H])=C2[H])C([H])=C1[H]	4760
[H]N(C(=O)C1=C([H])C(=C([H])C([H])=C1[H])C1=C([H])C([H])=C(Cl)C([H])=C1Cl)S(=O)(=O)C1=C([H])C([H])=C(OC2=C([H])C([H])=C([H])C([H])=C2[H])C([H])=C1[H]	3720
[H]N(C(=O)C1=C([H])C(=C([H])C([H])=C1[H])C1=C([H])C([H])=C(Cl)C(Cl)=C1[H])S(=O)(=O)C1=C([H])C([H])=C(OC2=C([H])C([H])=C([H])C([H])=C2[H])C([H])=C1[H]	2480
[H]N(C(=O)C1=C([H])C(=C([H])C([H])=C1[H])C1=C([H])C(Cl)=C(Cl)C([H])=C1[H])S(=O)(=O)C1=C([H])C([H])=C(OC([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])=C1[H]	4880
[H]N(C(=O)C1=C([H])C(=C([H])C([H])=C1[H])C1=C([H])C(Cl)=C(Cl)C([H])=C1[H])S(=O)(=O)C1=C([H])C([H])=C(OC([H])([H])C2([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C2([H])[H])C([H])=C1[H]	620
[H]N(C(=O)C1=C([H])C(=C([H])C([H])=C1[H])C1=C([H])C(Cl)=C(Cl)C([H])=C1[H])S(=O)(=O)C1=C([H])C([H])=C(OC2=C(OC([H])([H])[H])C([H])=C([H])C([H])=C2[H])C([H])=C1[H]	6630
[H]N(C(=O)C1=C([H])C(=C([H])C([H])=C1[H])C1=C([H])C(Cl)=C(Cl)C([H])=C1[H])S(=O)(=O)C1=C([H])C([H])=C(OC2=C([H])C([H])=C([H])C(Cl)=C2C#N)C([H])=C1[H]	3180
[H]N(C(=O)C1=C([H])C(=C([H])C([H])=C1[H])C1=C([H])C(Cl)=C(Cl)C([H])=C1[H])S(=O)(=O)C1=C([H])C([H])=C(OC2=C(C([H])=C([H])C([H])=C2Cl)[N+]([O-])=O)C([H])=C1[H]	3040
[H]N(C(=O)C1=C([H])C(=C([H])C([H])=C1[H])C1=C([H])C(Cl)=C(Cl)C([H])=C1[H])S(=O)(=O)C1=C([H])C([H])=C(OC2=C([H])C(=C([H])C(=C2[H])C(F)(F)F)C(F)(F)F)C([H])=C1[H]	3040
[H]N(C(=O)C1=C([H])C(=C([H])C([H])=C1[H])C1=C([H])C(Cl)=C(Cl)C([H])=C1[H])S(=O)(=O)C1=C([H])C([H])=C(OC2=C([H])C([H])=C(F)C([H])=C2[H])C([H])=C1[H]	3910
[H]N(C(=O)C1=C([H])C(=C([H])C([H])=C1[H])C1=C([H])C(Cl)=C(Cl)C([H])=C1[H])S(=O)(=O)C1=C([H])C([H])=C(OC2=C([H])C([H])=C(OC([H])([H])C([H])([H])[H])C([H])=C2[H])C([H])=C1[H]	140
[H]N(C(=O)[C@@]([H])(N([H])C(=O)C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C1=C([H])C([H])=C(C([H])=C1[H])C(=O)N([H])S(=O)(=O)C1=C([H])C([H])=C(N([H])C([H])([H])C([H])([H])SC2=C([H])C([H])=C([H])C([H])=C2[H])C(=C1[H])[N+]([O-])=O	2045
[H]N(C(=O)[C@@]([H])(N([H])C(=O)C([H])([H])[H])C([H])([H])C([H])([H])SC([H])([H])[H])C1=C([H])C([H])=C(C([H])=C1[H])C(=O)N([H])S(=O)(=O)C1=C([H])C([H])=C(N([H])C([H])([H])C([H])([H])SC2=C([H])C([H])=C([H])C([H])=C2[H])C(=C1[H])[N+]([O-])=O	3110
[H]N(C(=O)[C@@]([H])(N([H])C(=O)C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])C(=O)N([H])S(=O)(=O)C1=C([H])C([H])=C(N([H])C([H])([H])C([H])([H])SC2=C([H])C([H])=C([H])C([H])=C2[H])C(=C1[H])[N+]([O-])=O	3110
[H]N(C(=O)[C@@]([H])(N([H])C(=O)C([H])([H])[H])C([H])([H])C1=C([H])N([H])C2=C1C([H])=C([H])C([H])=C2[H])C1=C([H])C([H])=C(C([H])=C1[H])C(=O)N([H])S(=O)(=O)C1=C([H])C([H])=C(N([H])C([H])([H])C([H])([H])SC2=C([H])C([H])=C([H])C([H])=C2[H])C(=C1[H])[N+]([O-])=O	4030
[H]N(C(=O)[C@@]([H])(N([H])C(=O)C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C1=C([H])C([H])=C(C([H])=C1[H])C(=O)N([H])S(=O)(=O)C1=C([H])C([H])=C(N([H])C([H])([H])C([H])([H])SC2=C([H])C([H])=C([H])C([H])=C2[H])C(=C1[H])[N+]([O-])=O	3270
[H]N(C(=O)C1=C([H])C([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])C(=O)N([H])S(=O)(=O)C1=C([H])C([H])=C(N([H])C([H])([H])C([H])([H])SC2=C([H])C([H])=C([H])C([H])=C2[H])C(=C1[H])[N+]([O-])=O	4160
[H]N(C(=O)C1=C(F)C([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])C(=O)N([H])S(=O)(=O)C1=C([H])C([H])=C(N([H])C([H])([H])C([H])([H])SC2=C([H])C([H])=C([H])C([H])=C2[H])C(=C1[H])[N+]([O-])=O	3020
[H]N(C(=O)C1=C([H])C(F)=C([H])C([H])=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])C(=O)N([H])S(=O)(=O)C1=C([H])C([H])=C(N([H])C([H])([H])C([H])([H])SC2=C([H])C([H])=C([H])C([H])=C2[H])C(=C1[H])[N+]([O-])=O	3090
[H]N(C(=O)C1=C([H])C([H])=C(F)C([H])=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])C(=O)N([H])S(=O)(=O)C1=C([H])C([H])=C(N([H])C([H])([H])C([H])([H])SC2=C([H])C([H])=C([H])C([H])=C2[H])C(=C1[H])[N+]([O-])=O	2540
[H]N(C(=O)C1=C([H])C([H])=C(Br)C([H])=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])C(=O)N([H])S(=O)(=O)C1=C([H])C([H])=C(N([H])C([H])([H])C([H])([H])SC2=C([H])C([H])=C([H])C([H])=C2[H])C(=C1[H])[N+]([O-])=O	4100
[H]N(C(=O)C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])C(=O)N([H])S(=O)(=O)C1=C([H])C([H])=C(N([H])C([H])([H])C([H])([H])SC2=C([H])C([H])=C([H])C([H])=C2[H])C(=C1[H])[N+]([O-])=O	3110
[H]N(C(=O)C1=C([H])C([H])=C(N([H])S(=O)(=O)C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])=C1[H])S(=O)(=O)C1=C([H])C([H])=C(N([H])C([H])([H])C([H])([H])SC2=C([H])C([H])=C([H])C([H])=C2[H])C(=C1[H])[N+]([O-])=O	7220
[H]OC1=C(O[H])C(=C([H])C(C(=O)C2=C([H])C([H])=C(OC3=C([H])C([H])=C([H])C([H])=C3[H])C([H])=C2[H])=C1O[H])C(=O)C1=NC2=C(S1)C([H])=C([H])C([H])=C2[H]	173.5
[H]OC1=C(O[H])C(=C([H])C(C(=O)C2=C([H])C([H])=C(OC3=C([H])C([H])=C([H])C([H])=C3[H])C([H])=C2[H])=C1O[H])C(=O)C1=C2C([H])=C([H])C([H])=C([H])C2=C([H])C([H])=C1[H]	675
[H]OC1=C(O[H])C(=C([H])C(C(=O)C2=C([H])C([H])=C(OC3=C([H])C([H])=C([H])C([H])=C3[H])C([H])=C2[H])=C1O[H])C(=O)C([H])(C([H])([H])[H])C([H])([H])[H]	1505
[H]OC1=C(O[H])C(=C([H])C(C(=O)C2=C([H])C([H])=C(OC3=C([H])C([H])=C([H])C([H])=C3[H])C([H])=C2[H])=C1O[H])C([H])(C([H])([H])[H])C([H])([H])[H]	1720
[H]N1C(\C([H])=C2/N=C(C([H])=C2OC([H])([H])[H])C2=C([H])C3=C([H])C([H])=C([H])C([H])=C3N2[H])=C(C([H])=C1C([H])([H])[H])C([H])([H])[H]	750
[H]N(C(=O)C1=C(C(=C([H])N1C([H])([H])[H])C1=C([H])C([H])=C(Cl)C([H])=C1[H])C1=C([H])C([H])=C([H])C(=C1[H])N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C(N([H])S(=O)(=O)C3=C([H])C([H])=C(N([H])[C@@]([H])(C([H])([H])SC4=C([H])C([H])=C([H])C([H])=C4[H])C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H])C(=C3[H])[N+]([O-])=O)C([H])=C2[H])C([H])([H])C1([H])[H])C([H])([H])[H]	2000
[H]N(C1=C([H])C([H])=C(C([H])=C1[N+]([O-])=O)S(=O)(=O)N([H])C1=C([H])C([H])=C(C([H])=C1[H])N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C([H])C(=C2[H])C2=C([H])N(C([H])=C2C2=C([H])C([H])=C(Cl)C([H])=C2[H])C([H])([H])[H])C([H])([H])C1([H])[H])[C@@]([H])(C([H])([H])SC1=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]	2000
[H]N(C1=C([H])C([H])=C(C([H])=C1[N+]([O-])=O)S(=O)(=O)N([H])C1=C([H])C([H])=C(C([H])=C1[H])N1C([H])([H])C([H])([H])N(C2=C([H])C(=C([H])C([H])=C2[H])C2=C(N(C([H])=C2C2=C([H])C([H])=C(Cl)C([H])=C2[H])C([H])([H])[H])C(=O)OC([H])([H])C([H])([H])[H])C([H])([H])C1([H])[H])[C@@]([H])(C([H])([H])SC1=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]	2000
[H]OC(=O)C1=C(C(=C([H])N1C([H])([H])[H])C1=C([H])C([H])=C(Cl)C([H])=C1[H])C1=C([H])C([H])=C([H])C(=C1[H])N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C(N([H])S(=O)(=O)C3=C([H])C([H])=C(N([H])[C@@]([H])(C([H])([H])SC4=C([H])C([H])=C([H])C([H])=C4[H])C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H])C(=C3[H])[N+]([O-])=O)C([H])=C2[H])C([H])([H])C1([H])[H]	2000
[H]OC(=O)C1=C(C(=C(N1C([H])([H])[H])C([H])([H])C([H])([H])[H])C1=C([H])C([H])=C(Cl)C([H])=C1[H])C1=C([H])C([H])=C([H])C(=C1[H])N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C(N([H])S(=O)(=O)C3=C([H])C([H])=C(N([H])[C@@]([H])(C([H])([H])SC4=C([H])C([H])=C([H])C([H])=C4[H])C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H])C(=C3[H])[N+]([O-])=O)C([H])=C2[H])C([H])([H])C1([H])[H]	2000
[H]OC1=C(O[H])C2=C(C([H])=C1[H])C(=O)C1=C([H])C([H])=C([H])C([H])=C1C2=O	1620
[H]OC(=O)C1=C(N(C(=C1C1=C([H])C([H])=C([H])C(=C1[H])N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C(N([H])S(=O)(=O)C3=C([H])C([H])=C(N([H])[C@@]([H])(C([H])([H])SC4=C([H])C([H])=C([H])C([H])=C4[H])C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H])C(=C3[H])[N+]([O-])=O)C([H])=C2[H])C([H])([H])C1([H])[H])C1=C([H])C([H])=C(Cl)C([H])=C1[H])C1([H])C([H])([H])C1([H])[H])C([H])([H])[H]	2000
[H]OC(=O)C1=C(N(C(=C1C1=C([H])C([H])=C([H])C(=C1[H])N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C(N([H])S(=O)(=O)C3=C([H])C([H])=C(N([H])[C@@]([H])(C([H])([H])SC4=C([H])C([H])=C([H])C([H])=C4[H])C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H])C(=C3[H])[N+]([O-])=O)C([H])=C2[H])C([H])([H])C1([H])[H])C1=C([H])C([H])=C(Cl)C([H])=C1[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]	2000
[H]OC(=O)C1=C(N(C(=C1C1=C([H])C([H])=C([H])C(=C1[H])N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C(N([H])S(=O)(=O)C3=C([H])C([H])=C(N([H])[C@@]([H])(C([H])([H])SC4=C([H])C([H])=C([H])C([H])=C4[H])C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H])C(=C3[H])[N+]([O-])=O)C([H])=C2[H])C([H])([H])C1([H])[H])C1=C([H])C([H])=C(Cl)C([H])=C1[H])C([H])([H])[H])C([H])([H])[H]	2000
[H]OC(=O)C([H])([H])C([H])([H])[C@]([H])(N([H])[H])C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])C([H])([H])C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=N[H])N([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C(=O)N([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H])C([H])([H])C(=O)O[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=N[H])N([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=N[H])N([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[H])[C@]([H])(O[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])S[H])C([H])([H])C([H])([H])C(=O)O[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C(=O)O[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]	37
[H]OC(=O)C([H])([H])C([H])([H])[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)C([H])([H])N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]1([H])N(C(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=N[H])N([H])[H])C([H])([H])C([H])([H])C1([H])[H])C([H])([H])C([H])([H])C(=O)O[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])C1=C([H])N([H])C2=C1C([H])=C([H])C([H])=C2[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[H])C([H])([H])C([H])([H])C(=O)O[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=N[H])N([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=N[H])N([H])[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])C(=O)O[H])C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)O[H])C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C(O[H])C([H])=C1[H])C([H])([H])C1=C([H])C([H])=C(O[H])C([H])=C1[H])C([H])([H])[H])C([H])([H])C(=O)N([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]	5
[H]C1=C([H])C([H])=C2C([H])=C(C(=NC2=C1[H])N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])C1=C([H])C2=NC(OC([H])([H])C([H])([H])C([H])([H])[H])=C([H])C([H])=C2C(=C1[H])C([H])(C([H])([H])[H])C([H])([H])[H]	7900
[H]C1=C([H])C([H])=C2C([H])=C(C(=NC2=C1[H])N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])C1=C([H])C2=NC(OC([H])([H])C([H])([H])[H])=C([H])C([H])=C2C(=C1[H])C([H])(C([H])([H])[H])C([H])([H])[H]	3500
[H]C1=C([H])C([H])=C2C([H])=C(C3=C([H])C4=NC(=C([H])C([H])=C4C(=C3[H])C([H])(C([H])([H])[H])C([H])([H])[H])N3C([H])([H])C([H])([H])C([H])([H])C3([H])[H])C(=NC2=C1[H])N1C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	2300
[H]C1=C([H])C([H])=C2C([H])=C(C(=NC2=C1[H])N1C([H])([H])C([H])([H])C([H])([H])C1([H])[H])C1=C([H])C2=NC(OC([H])([H])C([H])([H])[H])=C([H])C([H])=C2C(=C1[H])C([H])(C([H])([H])[H])C([H])([H])[H]	2100
CC(C)C1=CC=C(SC2=CN=C(O)C(=C2)C#N)C=C1	6027.5
CC(C)C1=CC=C(SC2=CN=C(O)C(=C2)C(=O)NCC2=CC=CC=C2)C=C1	517
CC(C)C1=CC=C(SC2=CN=C(O)C(=C2)C(=O)NCCCC2=CC=CC=C2)C=C1	192
CCCCNC(=O)C1=CC(SC2=CC=C(C=C2)C(C)C)=CN=C1O	241
CC(C)NC(=O)C1=CC(SC2=CC=C(C=C2)C(C)C)=CN=C1O	501
CC(C)N1C(C)=C(C(=O)NS(C)(=O)=O)C(=C1C1=CC=C(Cl)C=C1)C1=CC=CC(=C1)N1CCN(CC1)C1=CC=C(NS(=O)(=O)C2=CC=C(N[C@H](CCN(C)C)CSC3=CC=CC=C3)C(=C2)[N+]([O-])=O)C=C1	2000
CCC(C)(C)C1=CC=C(OC2=CC=C3C(=C(C#N)C#N)C(=O)C4=C3C2=CC=C4)C=C1	2580
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CCCNC(=O)CC#N	4280
CCNC(=O)CC#N	6650
CNC(=O)CC#N	8270
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[H]C1=C([H])C2=C([H])C([H])=C([H])C3=C2C(=C1[H])C1=C(C#N)C(=O)N=C31	1830
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CC(C)C1=CC=C(OC2=CC=C3C4=C(NCCCC5=CC=CC=C5)C(=O)N=C4C4=C3C2=CC=C4)C=C1	39
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