smile	binding.affinity
[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])O[P@@](=O)(O[H])O[P@](=O)(O[H])OP(=O)(O[H])O[H])[C@@]1([H])O[H])N1C([H])=C([H])C(=O)N([H])C1=O	7580
[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])O[P@@](=O)(O[H])OP(=O)(O[H])O[H])[C@@]1([H])O[H])N1C([H])=C([H])C(=O)N([H])C1=O	300
[H]O[C@@]1([H])C([H])([H])[C@@]2(N3C([H])=C([H])C(=O)N([H])C3=O)C([H])([H])[C@@]2([H])[C@]1([H])C([H])([H])O[P@](=O)(O[H])OP(=O)(O[H])O[H]	230
[H]O[C@@]1([H])C([H])([H])[C@@]([H])(O[C@]1([H])C([H])([H])O[P@](=O)(O[H])OP(=O)(O[H])O[H])N1C([H])=C([H])C(=O)N([H])C1=O	1720
[H]O[C@@]1([H])[C@]([H])(F)[C@@]([H])(O[C@]1([H])C([H])([H])O[P@@](=O)(O[H])OP(=O)(O[H])O[H])N1C([H])=C([H])C(=O)N([H])C1=O	5500
[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])O[P@@](=O)(O[H])OP(=O)(O[H])O[H])[C@@]1([H])O[H])N1C([H])=C([H])C(=S)N([H])C1=O	1220
[H]O[C@]1([H])[C@]([H])(O[H])[C@]([H])(O[C@@]1([H])N1C([H])=C([H])C(SC([H])([H])C([H])=C([H])[H])=NC1=O)C([H])([H])O[P@@](=O)(O[H])OP(=O)(O[H])O[H]	560
[H]O[C@]1([H])[C@]2([H])C([H])([H])[C@@]2(O[C@@]1([H])N1C([H])=C([H])C(=O)N([H])C1=O)C([H])([H])O[P@@](=O)(O[H])OP(=O)(O[H])O[H]	3500
[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])O[P@@](=O)(O[H])OP(=O)(O[H])O[H])[C@@]1([H])O[H])N1C(=O)N([H])C(=O)C([H])=C1I	15
[H]OC(=O)C([H])([H])SC1=NC(=O)N(C([H])=C1[H])[C@]1([H])O[C@]([H])(C([H])([H])O[P@@](=O)(O[H])OP(=O)(O[H])O[H])[C@@]([H])(O[H])[C@@]1([H])O[H]	1700
[H]O[C@]1([H])[C@]([H])(O[H])[C@]([H])(O[C@@]1([H])N1C([H])=C([H])C(SC([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])=NC1=O)C([H])([H])O[P@@](=O)(O[H])OP(=O)(O[H])O[H]	800
[H]OC(=O)C([H])([H])C([H])([H])SC1=NC(=O)N(C([H])=C1[H])[C@]1([H])OC([H])(C([H])([H])O[P@@](=O)(O[H])OP(=O)(O[H])O[H])[C@@]([H])(O[H])[C@@]1([H])O[H]	1100
[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])O[P@@](=O)(O[H])OP(=O)(O[H])O[H])[C@@]1([H])O[H])N1C([H])=C([H])C(=O)N([H])C1=S	253.5
[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])O[P@@](=O)(O[H])OP(=O)(O[H])O[H])[C@@]1([H])O[H])N1C([H])=C([H])C(SC([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])=NC1=O	4900
[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])O[P@@](=O)(O[H])OP(=O)(O[H])O[H])[C@@]1([H])O[H])N1C([H])=C([H])C(=O)N(C1=O)C([H])([H])[H]	2150
[H]O[C@]1([H])[C@]([H])(O[C@@]([H])(N2C([H])=C([H])C(=O)N([H])C2=O)[C@]1([H])N([H])[H])C([H])([H])O[P@@](=O)(O[H])OP(=O)(O[H])O[H]	3900
[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])O[P@@](=O)(O[H])OP(=O)(O[H])O[H])[C@@]1([H])O[H])N1C([H])=C([H])C(SC([H])([H])[H])=NC1=O	2300
[H]OC(=O)C([H])([H])C([H])([H])C([H])([H])SC1=NC(=O)N(C([H])=C1[H])[C@]1([H])O[C@]([H])(C([H])([H])O[P@@](=O)(O[H])OP(=O)(O[H])O[H])[C@@]([H])(O[H])[C@@]1([H])O[H]	8800
[H]O[C@]1([H])[C@]([H])(O[C@@]([H])(N2C([H])=C([H])C(=O)N([H])C2=O)[C@]1([H])N=[N+]=[N-])C([H])([H])O[P@@](=O)(O[H])OP(=O)(O[H])O[H]	1500
[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])O[P@@](=O)(O[H])OP(=O)(O[H])O[H])[C@@]1([H])O[H])N1C([H])=C([H])C(SC([H])([H])C([H])([H])[H])=NC1=O	280
[H]O[C@]1([H])C([H])([H])[C@]([H])(O[C@@]1([H])N1C([H])=C([H])C(=O)N([H])C1=O)C([H])([H])O[P@@](=O)(O[H])OP(=O)(O[H])O[H]	2500
[H]O[C@@]1([H])[C@@]([H])(OP(=O)(O[H])O[H])[C@@]([H])(O[C@]1([H])C([H])([H])O[P@](=O)(O[H])O[P@](=O)(O[H])OP(=O)(O[H])O[H])N1C([H])=C([H])C(=O)N(C1=O)C([H])([H])C(=O)C1=C([H])C([H])=C([H])C([H])=C1[H]	1000
[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])O[P@](=O)(O[H])O[P@](=O)(O[H])OP(=O)(O[H])O[H])[C@@]1([H])O[H])N1C(=O)N([H])C(=C([H])C1=O)C([H])([H])[H]	1000
[H]O[C@@]1([H])[C@@]([H])(OC([H])(C([H])([H])O[P@](=O)(O[H])O[P@](=O)(O[H])OP(=O)(O[H])O[H])[C@@]1([H])O[H])N1C([H])=C([H])C(=O)N(C1=O)C([H])([H])C(=O)C1=C([H])C([H])=C([H])C([H])=C1[H]	1000
[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])O[P@@](=O)(O[H])O[P@@](=O)(O[H])OP(=O)(O[H])O[H])[C@@]1([H])O[H])N1C([H])=C([H])C(=O)N([H])C1=S	1500
[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])O[P@](=O)(O[H])OP(=O)(O[H])O[H])[C@@]1([H])O[H])N1C(=O)N([H])C(=C([H])C1=O)C([H])([H])[H]	1000
[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])O[P@](=O)(O[H])OP(=O)(O[H])O[H])[C@@]1([H])O[H])N1C([H])=C(Br)C(=O)N([H])C1=O	151
[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])O[P@](=O)(O[H])OP(=O)(O[H])O[H])[C@@]1([H])O[H])N1C(=O)N([H])C(=C([H])C1=O)C([H])([H])C([H])([H])C([H])([H])[H]	1000
[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])OP(=O)(O[H])O[H])[C@@]1([H])O[H])N1C([H])=C(Br)C(=O)N([H])C1=O	1000
[H]O[C@]1([H])[C@]([H])(O[H])C([H])(O[C@@]1([H])N1C([H])=C(Br)C(=O)N([H])C1=O)C([H])([H])O[P@](=O)(O[H])O[P@](=O)(O[H])C(Cl)(Cl)P(=O)(O[H])O[H]	120
[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])O[P@](=O)(O[H])O[P@](=O)(O[H])OP(=O)(O[H])O[H])[C@@]1([H])O[H])N1C([H])=C(Br)C(=O)N([H])C1=O	545.5
[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])O[P@](=O)(O[H])O[P@](=O)(O[H])OP(=O)(O[H])O[H])[C@@]1([H])O[H])N1C([H])=C([H])C(=O)N(C1=O)C([H])([H])[H]	1000
[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])O[P@](=O)(O[H])OP(=O)(O[H])O[H])[C@@]1([H])O[H])N1C([H])=C([H])C(=O)N(C1=O)C([H])([H])C(=O)C1=C([H])C([H])=C([H])C([H])=C1[H]	70
[H]O[C@]1([H])[C@]([H])(O[H])[C@]([H])(O[C@@]1([H])N1C([H])=C(N=[N+]=[N-])C(=O)N([H])C1=O)C([H])([H])O[P@](=O)(O[H])O[P@](=O)(O[H])OP(=O)(O[H])O[H]	467
[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])O[P@](=O)(O[H])O[P@](=O)(O[H])OP(=O)(O[H])O[H])[C@@]1([H])O[H])N1C([H])=C(C(=O)N([H])C1=O)C([H])([H])[H]	140
[H]O[C@]1([H])[C@]([H])(O[H])C([H])(O[C@@]1([H])N1C([H])=C(N([H])[H])C(=O)N([H])C1=O)C([H])([H])O[P@](=O)(O[H])O[P@](=O)(O[H])OP(=O)(O[H])O[H]	333
[H]O[C@@]1([H])C([H])([H])[C@@]([H])(O[C@]1([H])C([H])([H])O[P@@](=O)(O[H])O[P@@](=O)(O[H])O[P@@](=O)(O[H])O[P@@](=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=C([H])C(=O)N([H])C2=O)[C@]([H])(O[H])[C@]1([H])O[H])N1C([H])=NC2=C1N([H])C(=NC2=O)N([H])[H]	1030
[H]O[C@@]1([H])C([H])([H])C([H])(O[C@]1([H])C([H])([H])O[P@@](=O)(O[H])O[P@@](=O)(O[H])O[P@@](=O)(O[H])O[P@@](=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=C([H])C(=O)N([H])C2=S)[C@]([H])(O[H])[C@]1([H])O[H])N1C([H])=C([H])C(=NC1=O)N([H])[H]	1050
[H]O[C@@]1([H])C([H])([H])C([H])(O[C@]1([H])C([H])([H])O[P@@](=O)(O[H])O[P@@](=O)(O[H])O[P@@](=O)(O[H])O[P@@](=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=C([H])C(=O)N([H])C2=O)[C@]([H])(O[H])[C@]1([H])O[H])N1C([H])=C([H])C(=NC1=O)N([H])[H]	950
[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])O[P@@](=O)(O[H])O[P@@](=O)(O[H])O[P@@](=O)(O[H])O[P@@](=O)(O[H])OC([H])([H])[C@@]2([H])O[C@@]([H])(N3C([H])=C([H])C(=S)N([H])C3=O)[C@]([H])(O[H])[C@]2([H])O[H])[C@@]1([H])O[H])N1C([H])=C([H])C(=S)N([H])C1=O	4245
[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])O[P@@](=O)(O[H])O[P@](=O)(O[H])O[P@](=O)(O[H])OC([H])([H])[C@@]2([H])O[C@@]([H])(N3C([H])=C([H])C(=O)N([H])C3=O)[C@]3([H])O[C@]([H])(O[C@]23[H])C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])[C@@]1([H])O[H])N1C([H])=C(I)C(=O)N([H])C1=O	5490
[H]OC([H])([H])[C@@]1([H])O[C@]([H])(O[P@@](=O)(O[H])O[P@](=O)(O[H])O[P@](=O)(O[H])O[P@](=O)(O[H])OC([H])([H])[C@@]2([H])O[C@@]([H])(N3C([H])=C([H])C(=O)N([H])C3=O)[C@]([H])(O[H])[C@]2([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]1([H])O[H]	8190
[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])O[P@@](=O)(O[H])O[P@@](=O)(O[H])O[P@@](=O)(O[H])O[P@@](=O)(O[H])OC2([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C2([H])[H])[C@@]1([H])O[H])N1C([H])=C([H])C(=O)N([H])C1=O	8495
[H]OC([H])([H])[C@@]([H])(O[H])C([H])([H])O[P@](=O)(O[H])O[P@](=O)(O[H])O[P@](=O)(O[H])O[P@](=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=C([H])C(=O)N([H])C2=O)[C@]([H])(O[H])[C@]1([H])O[H]	8190
[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])O[P@@](=O)(O[H])O[P@@](=O)(O[H])O[P@@](=O)(O[H])O[P@@](=O)(O[H])C([H])([H])[H])[C@@]1([H])O[H])N1C([H])=C([H])C(=O)N([H])C1=O	8160
[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])O[P@@](=O)(O[H])C([H])([H])P(=O)(O[H])O[H])[C@@]1([H])O[H])N1C([H])=C([H])C(=O)N([H])C1=O	660
[H]O[C@]1([H])[C@]([H])(O[C@@]([H])(N2C([H])=C([H])C(=O)N([H])C2=O)[C@]1([H])N([H])C(=O)N([H])[H])C([H])([H])O[P@@](=O)(O[H])OP(=O)(O[H])O[H]	4700
[H]O[C@]1([H])[C@]([H])(O[H])[C@]([H])(O[C@@]1([H])N1C([H])=C(N([H])[H])C(=O)N([H])C1=O)C([H])([H])O[P@@](=O)(O[H])OP(=O)(O[H])O[H]	610
[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])[P@@](=O)(O[H])OP(=O)(O[H])O[H])[C@@]1([H])O[H])N1C([H])=C([H])C(=O)N([H])C1=O	1900
[H]O[C@]1([H])[C@]([H])(O[H])[C@]([H])(O[C@@]1([H])N1C([H])=C(Br)C(=O)N([H])C1=O)C([H])([H])O[P@@](=O)(O[H])O[P@@](=O)(O[H])S[H]	47
[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])O[P@@](=O)(O[H])OP(=O)(O[H])O[H])[C@@]1([H])O[H])N1C([H])=C(I)C(=O)N([H])C1=O	13
[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])O[P@](=O)(O[H])O[P@](=O)(O[H])O[P@@](=O)(O[H])O[P@](=O)(O[H])OC([H])([H])[C@@]2([H])O[C@@]([H])(N3C([H])=C([H])C(=O)N([H])C3=O)[C@]3([H])O[C@]([H])(O[C@]23[H])C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])[C@@]1([H])O[H])N1C([H])=C([H])C(=O)N([H])C1=O	147
[H]O[C@@]1([H])[C@@]([H])(O[H])[C@@]2(N3C([H])=C([H])C(=O)N([H])C3=O)C([H])([H])[C@@]2([H])[C@]1([H])C([H])([H])O[P@@](=O)(O[H])OP(=O)(O[H])O[H]	42
[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])OP([O-])(=O)OP([O-])(=O)OC(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])[C@@]1([H])O[H])N1C([H])=C([H])C(=O)N([H])C1=S	9550
[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])OP([O-])(=O)OP([O-])(=O)OC2=C([H])C([H])=C([H])C([H])=C2[H])[C@@]1([H])O[H])N1C([H])=C([H])C(=O)N([H])C1=O	7400
[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])OP([O-])(=O)OP([O-])(=O)OC2=C([H])C([H])=C(C([H])=C2[H])[N+]([O-])=O)[C@@]1([H])O[H])N1C([H])=C([H])C(=O)N([H])C1=O	2760
[H]O[C@]1([H])[C@]([H])(O[H])[C@]([H])(O[C@@]1([H])N1C([H])=C([H])C(=O)N([H])C1=O)C([H])([H])OP([O-])(=O)OP([O-])(=O)OC1=C([H])C(Cl)=C([H])C([H])=C1[H]	7370
[H]O[C@]1([H])[C@]([H])(O[H])[C@]([H])(O[C@@]1([H])N1C([H])=C([H])C(=O)N([H])C1=O)C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C([H])([H])C#C[H]	1520
[H]OC([H])([H])[C@@]1([H])O[C@]([H])(O[P@](=O)(O[H])O[P@@](=O)(O[H])OC([H])([H])[C@@]2([H])O[C@@]([H])(N3C([H])=C([H])C(=O)N([H])C3=O)[C@]([H])(O[H])[C@]2([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	1600
[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])OP([O-])(=O)OP([O-])(=O)C([H])([H])[H])[C@@]1([H])O[H])N1C([H])=C([H])C(=O)N([H])C1=O	8000
[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])O[P@@](=O)(O[H])OP(=O)(O[H])O[H])[C@@]1([H])O[H])N1C([H])=C([H])\C(=N/OC([H])([H])[H])N([H])C1=O	1835
[H]O[C@]1([H])[C@]([H])(O[H])[C@]([H])(O[C@@]1([H])N1C([H])=C([H])C(=O)N([H])C1=S)C([H])([H])OP([O-])(=O)C([H])([H])P([O-])(=O)O[H]	1990
[H]O[C@]1([H])[C@]([H])(O[H])[C@]([H])(O[C@@]1([H])N1C([H])=C(I)C(=O)N([H])C1=O)C([H])([H])O[P@](=O)(O[H])C(F)(F)P(=O)(O[H])O[H]	127
[H]OC([H])([H])[C@@]1([H])O[C@]([H])(O[P@@](=O)(O[H])O[P@@](=O)(O[H])O[P@@](=O)(O[H])OC([H])([H])[C@@]2([H])O[C@@]([H])(N3C([H])=C(I)C(=O)N([H])C3=O)[C@]([H])(O[H])[C@]2([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	4690
[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])O[P@](=O)(O[H])O[P@](=O)(O[H])O[P@](=O)(O[H])OC2=C([H])C([H])=C([H])C([H])=C2[H])[C@@]1([H])O[H])N1C([H])=C([H])\C(=N\OC([H])([H])[H])N([H])C1=O	3490
[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])O[P@@](=O)(O[H])OP(=O)(O[H])O[H])[C@@]1([H])O[H])N1C([H])=C([H])\C(=N\OC(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])N([H])C1=O	3510
[H]O[C@]1([H])[C@]([H])(O[H])[C@]([H])(O[C@@]1([H])N1C([H])=C([H])\C(=N\OC([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])N([H])C1=O)C([H])([H])O[P@@](=O)(O[H])OP(=O)(O[H])O[H]	2130
[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])O[P@](=O)(O[H])O[P@](=O)(O[H])O[P@](=O)(O[H])OC2=C([H])C([H])=C([H])C([H])=C2[H])[C@@]1([H])O[H])N1C([H])=C([H])C(=O)N([H])C1=O	2130
[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])O[P@@](=O)(O[H])O[P@@](=O)(O[H])C([H])([H])[P@@](=O)(O[H])OC([H])([H])[C@@]2([H])O[C@@]([H])(N3C([H])=C([H])C(=O)N([H])C3=O)[C@]([H])(O[H])[C@]2([H])O[H])[C@@]1([H])O[H])N1C([H])=C([H])C(=O)N([H])C1=O	1300
[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]2(N3C([H])=C([H])C(=O)N([H])C3=O)C([H])([H])[C@@]2([H])[C@]1([H])C([H])([H])O[P@@](=O)(O[H])O[P@@](=O)(O[H])OP(=O)(O[H])O[H]	1370
[H]OC([H])([H])[C@@]1([H])O[C@]([H])(O[P@@](=O)(O[H])O[P@@](=O)(O[H])O[P@@](=O)(O[H])OC([H])([H])[C@@]2([H])O[C@@]([H])(N3C([H])=C([H])\C(=N\OC([H])([H])[H])N([H])C3=O)[C@]([H])(O[H])[C@]2([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	180
[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])O[P@@](=O)(O[H])C([H])([H])P(=O)(O[H])O[H])[C@@]1([H])O[H])N1C([H])=C(I)C(=O)N([H])C1=O	130
[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])O[P@](=O)(O[H])O[P@](=O)(O[H])O[P@](=O)(O[H])OC([H])([H])[C@@]2([H])O[C@@]([H])(N3C([H])=C([H])\C(=N\OC([H])([H])[H])N([H])C3=O)[C@]([H])(O[H])[C@]2([H])O[H])[C@@]1([H])O[H])N1C([H])=C([H])C(=O)N([H])C1=O	12
[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])O[P@@](=O)(O[H])O[P@@](=O)(O[H])O[P@@](=O)(O[H])OC([H])([H])[C@@]2([H])O[C@@]([H])(N3C([H])=C([H])\C(=N\OC([H])([H])[H])N([H])C3=O)[C@]([H])(O[H])[C@]2([H])O[H])[C@@]1([H])O[H])N1C([H])=C([H])\C(=N\OC([H])([H])[H])N([H])C1=O	80
[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])O[P@@](=O)(O[H])OP(=O)(O[H])O[H])[C@@]1([H])O[H])N1C([H])=C([H])\C(=N\OC([H])([H])C([H])([H])[H])N([H])C1=O	280
[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])O[P@@](=O)(O[H])O[P@@](=O)(O[H])OP(=O)(O[H])O[H])[C@@]1([H])O[H])N1C([H])=C(OC([H])([H])[H])C(=O)N([H])C1=O	900
[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])O[P@@](=O)(O[H])OP(=O)(O[H])O[H])[C@@]1([H])O[H])N1C([H])=C(OC([H])([H])[H])C(=O)N([H])C1=O	80
[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])O[P@](=O)(O[H])OP(=O)(O[H])O[H])[C@@]1([H])O[H])N1C([H])=C([H])C(=O)N=C1SC([H])([H])[H]	4700
[H]O[C@]1([H])[C@]([H])(O[H])[C@]([H])(O[C@@]1([H])N1C([H])=C([H])C(=O)N=C1SC([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])O[P@](=O)(O[H])OP(=O)(O[H])O[H]	6800
[H]O[C@]1([H])[C@]([H])(O[H])[C@]([H])(O[C@@]1([H])N1C([H])=C([H])C(=O)N=C1SC([H])([H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])O[P@](=O)(O[H])OP(=O)(O[H])O[H]	2500
[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])O[P@](=O)(O[H])OP(=O)(O[H])O[H])[C@@]1([H])O[H])N1C([H])=C([H])C(=O)N=C1OC([H])([H])[H]	1370
[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])OP(=O)(O[H])O[H])[C@@]1([H])O[H])N1C([H])=C([H])C(=O)N=C1SC([H])([H])C([H])([H])C([H])([H])[H]	6200
[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])OP(=O)(O[H])O[H])[C@@]1([H])O[H])N1C([H])=C([H])C(=O)N=C1OC([H])([H])[H]	9800
[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])O[P@](=O)(O[H])O[P@](=O)(O[H])C(Cl)(Cl)P(=O)(O[H])O[H])[C@@]1([H])O[H])N1C([H])=C([H])C(=O)N([H])C1=O	6200
[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])O[P@](=O)(O[H])O[P@](=O)(O[H])C(Cl)(Cl)P(=O)(O[H])O[H])[C@@]1([H])O[H])N1C([H])=C([H])C(=O)N(C1=O)C([H])([H])C(=O)C1=C([H])C([H])=C([H])C([H])=C1[H]	142
[H]O[C@]1([H])[C@]([H])(O[H])[C@]([H])(O[C@@]1([H])N1C([H])=C([H])C(=O)N([H])C1=S)C([H])([H])O[P@](=O)(O[H])O[P@](=O)(O[H])C(Cl)(Cl)P(=O)(O[H])O[H]	8850
[H]O[C@]1([H])[C@]([H])(O[H])[C@]([H])(O[C@@]1([H])N1C([H])=C([H])C(=S)N([H])C1=O)C([H])([H])O[P@](=O)(O[H])O[P@](=O)(O[H])C(Cl)(Cl)P(=O)(O[H])O[H]	8100
[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])O[P@](=O)(O[H])O[P@](=O)(O[H])C(F)(F)P(=O)(O[H])O[H])[C@@]1([H])O[H])N1C([H])=C([H])C(=O)N([H])C1=O	2630
[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])O[P@](=O)(O[H])O[P@](=O)(O[H])C(F)(F)P(=O)(O[H])O[H])[C@@]1([H])O[H])N1C([H])=C([H])C(=O)N(C1=O)C([H])([H])C(=O)C1=C([H])C([H])=C([H])C([H])=C1[H]	1460
[H]O[C@]1([H])[C@]([H])(O[H])[C@]([H])(O[C@@]1([H])N1C([H])=C([H])C(=S)N([H])C1=O)C([H])([H])O[P@](=O)(O[H])O[P@](=O)(O[H])C(F)(F)P(=O)(O[H])O[H]	7000
[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])O[P@](=O)(O[H])O[P@](=O)(O[H])O[P@](=O)(O[H])N([H])C2=C([H])C([H])=C([H])C([H])=C2[H])[C@@]1([H])O[H])N1C([H])=C(Br)C(=O)N([H])C1=O	6100
[H]O[C@@]1([H])C([H])([H])[C@@]([H])(O[C@]1([H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=C([H])C(=O)N([H])C2=O)[C@]([H])(O[H])[C@]1([H])O[H])N1C([H])=C([H])C(=NC1=O)N([H])[H]	1000
[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])O[P@](=O)(O[H])O[P@](=O)(O[H])OP(=O)(O[H])O[H])[C@@]1([H])O[H])N1C([H])=C([H])\C(=N\OC([H])([H])C([H])([H])[H])N([H])C1=O	877
[H]O[C@]1([H])[C@]([H])(O[H])[C@]([H])(O[C@@]1([H])N1C([H])=C([H])\C(=N\OC([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])N([H])C1=O)C([H])([H])O[P@](=O)(O[H])O[P@](=O)(O[H])OP(=O)(O[H])O[H]	230
[H]O[C@]1([H])[C@]([H])(O[H])[C@]([H])(O[C@@]1([H])N1C([H])=C([H])\C(=N\OC([H])([H])C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])N([H])C1=O)C([H])([H])O[P@](=O)(O[H])O[P@](=O)(O[H])OP(=O)(O[H])O[H]	1210
[H]O[C@]1([H])[C@]([H])(O[H])C([H])(O[C@@]1([H])N1C([H])=C([H])\C(=N\OC([H])([H])C([H])([H])C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])N([H])C1=O)C([H])([H])O[P@](=O)(O[H])O[P@](=O)(O[H])OP(=O)(O[H])O[H]	740
[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])O[P@](=O)(O[H])O[P@](=O)(O[H])O[P@](=O)(O[H])O[P@](=O)(O[H])OC2=C([H])C(Cl)=C([H])C([H])=C2[H])[C@@]1([H])O[H])N1C([H])=C([H])C(=O)N([H])C1=O	3690
[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])O[P@@](=O)(O[H])O[P@@](=O)(O[H])O[P@@](=O)(O[H])O[P@@](=O)(O[H])O[C@@]2([H])OC([H])([H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])[C@@]1([H])O[H])N1C([H])=C([H])C(=O)N([H])C1=O	4900
[H]OC([H])([H])[C@@]1([H])O[C@]([H])(O[P@](=O)(O[H])O[P@](=O)(O[H])O[P@](=O)(O[H])O[P@](=O)(O[H])OC([H])([H])[C@@]2([H])O[C@@]([H])(N3C([H])=C([H])C(=O)N([H])C3=O)[C@]([H])(O[H])[C@]2([H])O[H])[C@]([H])(N([H])C(=O)C([H])([H])[H])[C@@]([H])(O[H])[C@]1([H])O[H]	5460
[H]OC(=O)[C@@]1([H])O[C@]([H])(O[P@](=O)(O[H])O[P@](=O)(O[H])O[P@](=O)(O[H])O[P@](=O)(O[H])OC([H])([H])[C@@]2([H])O[C@@]([H])(N3C([H])=C([H])C(=O)N([H])C3=O)[C@]([H])(O[H])[C@]2([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	1650
[H]OC([H])([H])[C@@]1([H])O[C@]([H])(O[P@](=O)(O[H])O[P@](=O)(O[H])O[P@](=O)(O[H])O[P@](=O)(O[H])OC([H])([H])[C@@]2([H])O[C@@]([H])(N3C([H])=C([H])C(=O)N([H])C3=O)[C@]([H])(O[H])[C@]2([H])O[H])[C@]([H])(O[H])[C@@]([H])(F)[C@]1([H])O[H]	950
[H]OC([H])([H])[C@@]1([H])O[C@]([H])(O[P@](=O)(O[H])O[P@](=O)(O[H])O[P@](=O)(O[H])O[P@](=O)(O[H])OC([H])([H])[C@@]2([H])O[C@@]([H])(N3C([H])=C([H])\C(=N\OC([H])([H])C4=C([H])C([H])=C([H])C([H])=C4[H])N([H])C3=O)[C@]([H])(O[H])[C@]2([H])O[H])[C@]([H])(O[H])[C@@]([H])(F)[C@]1([H])O[H]	7510
[H]OC([H])([H])[C@@]1([H])O[C@]([H])(O[P@](=O)(O[H])O[P@](=O)(O[H])O[P@](=O)(O[H])O[P@](=O)(O[H])OC([H])([H])[C@@]2([H])O[C@@]([H])(N3C([H])=C([H])\C(=N\OC([H])([H])[H])N([H])C3=O)[C@]([H])(O[H])[C@]2([H])O[H])[C@]([H])(O[H])[C@@]([H])(F)[C@]1([H])O[H]	1440
[H]OC([H])([H])[C@@]1([H])O[C@]([H])(O[P@](=O)(O[H])O[P@](=O)(O[H])O[P@](=O)(O[H])O[P@](=O)(O[H])OC([H])([H])C2([H])O[C@@]([H])(N3C([H])=C([H])C(=O)N([H])C3=O)[C@]([H])(O[H])[C@]2([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])F	1640
[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])O[P@](=O)(O[H])OP(=O)(O[H])O[H])[C@@]1([H])O[H])N1C([H])=NC2=C1N=C([H])N=C2N([H])C(=O)N([H])C1=C([H])C([H])=C([H])C([H])=C1[H]	9750
[H]O[C@]1([H])[C@]([H])(O[H])[C@]([H])(O[C@@]1([H])N1C([H])=C([H])C(=O)N([H])C1=S)C([H])([H])O[P@](=O)(O[H])O[P@](=O)(O[H])C(F)(F)P(=O)(O[H])O[H]	5150
[H]N([H])C1=C2C(=O)C3=C([H])C([H])=C([H])C([H])=C3C(=O)C2=C(N([H])C2=C([H])C([H])=C([H])C(=C2[H])C([H])([H])[H])C([H])=C1S([O-])(=O)=O	6960
[H]OC1=C([H])C([H])=C(N([H])C2=C([H])C(=C(N([H])[H])C3=C2C(=O)C2=C([H])C([H])=C([H])C([H])=C2C3=O)S([O-])(=O)=O)C([H])=C1[H]	5300
[H]N([H])C1=C(C([H])=C(N([H])C2=C([H])C([H])=C([H])C(OC3=C([H])C([H])=C([H])C([H])=C3[H])=C2[H])C2=C1C(=O)C1=C([H])C([H])=C([H])C([H])=C1C2=O)S([O-])(=O)=O	4560
[H]N([H])C1=C(C([H])=C(N([H])C2=C([H])C([H])=C(N([H])C3=NC(Cl)=NC(=N3)N([H])C3=C([H])C([H])=C([H])C(=C3[H])S([O-])(=O)=O)C(=C2[H])S([O-])(=O)=O)C2=C1C(=O)C1=C(C([H])=C([H])C([H])=C1[H])C2=O)S([O-])(=O)=O	4340
[H]OC(=O)C1=C([H])C(N([H])C2=C([H])C(=C(N([H])[H])C3=C2C(=O)C2=C([H])C([H])=C([H])C([H])=C2C3=O)S([O-])(=O)=O)=C([H])C(N([H])C2=NC(Cl)=NC(Cl)=N2)=C1[H]	2550
B[P@@](=O)(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=C(OC)C(=O)NC1=O)OP(O)(O)=O	2154
B[P@@](=O)(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=C(OC)C(=O)NC1=O)O[P@@](O)(=O)OP(O)(O)=O	6715
BP(=O)(OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=C(OC)C(=O)NC1=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=C(OC)C(=O)NC1=O	200
O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(S)=O)N1C=CC(=O)NC1=O	28