smile	binding.affinity
[H]OC1=C2C([H])=C([H])C([H])=C3C2=NN1C([H])([H])C([H])([H])[N@@]1C([H])([H])[C@@]([H])(OC2=C4N=C3C(O[H])=NC4=C([H])C([H])=C2[H])C([H])([H])[C@@]1([H])C([H])([H])[H]	1000
[H]N(C1=C(Cl)C([H])=C2N([H])C(=O)N([H])C3=NC(OC([H])([H])C([H])([H])C([H])([H])C([H])([H])OC2=C1[H])=C(N=C3[H])C#N)C([H])([H])C1=C([H])N=C([H])S1	7500
[H]N1C([H])=C([H])C2=C1N=C([H])N=C2N(C([H])([H])[H])[C@@]1([H])C([H])([H])N(C(=O)C([H])([H])C#N)C([H])([H])C([H])([H])[C@@]1([H])C([H])([H])[H]	3400
[H]N([H])C(=O)C1=C([H])C([H])=C(N([H])C(=O)N([H])C([H])([H])C2=C([H])C(=C([H])C([H])=C2[H])C(=O)N([H])C2=C([H])C([H])=C(C([H])=C2[H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H])C([H])=C1[H]	4007
[H]N([H])C(=O)C1=C([H])C([H])=C(N([H])C(=O)N([H])C([H])([H])C2=C([H])C(=C([H])C([H])=C2[H])C(=O)N([H])C2=C([H])C([H])=C3C(=C2[H])C([H])([H])N([H])C([H])([H])C3([H])[H])C([H])=C1[H]	4
[H]OC([H])([H])C1=C([H])C([H])=C(N([H])C(=O)C2=C([H])C([H])=C([H])C(=C2[H])C([H])([H])N([H])C(=O)C2=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C2[H])C([H])=C1[H]	870
[H]N(C(=O)C([H])([H])C([H])([H])[C@]1([H])C([H])([H])N([H])C([H])([H])C([H])([H])C1([H])[H])C1=C([H])C([H])=C([H])C(=C1[H])C([H])([H])N([H])C(=O)C1=C([H])C([H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C1[H]	73
[H]N(C(=O)C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C1[H])C([H])([H])C1=C([H])C(=C([H])C([H])=C1[H])C(=O)N([H])C([H])([H])C([H])([H])C1([H])C([H])([H])C([H])([H])N([H])C([H])([H])C1([H])[H]	176
[H]N(C(=O)C1=C([H])C([H])=C([H])C(=C1[H])C([H])([H])N([H])C(=O)C1=C([H])C([H])=C(OC([H])([H])[H])C(=C1[H])C([H])([H])[H])C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H]	660
[H]N(C(=O)C1=C([H])C([H])=C([H])C(=C1[H])C([H])([H])N([H])C(=O)C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H]	149.5
[H]N(C(=O)C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C1[H])C([H])([H])C1=C([H])C(=C([H])C([H])=C1[H])C(=O)N([H])C([H])([H])C([H])([H])[C@@]1([H])C([H])([H])N([H])C([H])([H])C([H])([H])C1([H])[H]	140
[H]N(C(=O)C1=C([H])C([H])=C([H])C(=C1[H])C([H])([H])N([H])C(=O)C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C1[H])C1=C([H])C([H])=C2C(=C1[H])C([H])([H])N(C([H])([H])[H])C([H])([H])C2([H])[H]	46
[H]N(C(=O)C1=C([H])C([H])=C([H])C(=C1[H])C([H])([H])N([H])C(=O)C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C1[H])C1=C([H])C([H])=C2C(=C1[H])C([H])([H])N([H])C([H])([H])C2([H])[H]	33
[H]N1C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])C1([H])[H])S(=O)(=O)C1=C([H])C([H])=C([H])C2=C1C([H])=C([H])N=C2[H]	851.24
[H]N(C(=O)N([H])C([H])([H])C1=C([H])C(=C([H])C([H])=C1[H])C(=O)N([H])C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H])C1=C([H])C(Cl)=C(C#N)C([H])=C1[H]	5022.5
[H]N(C(=O)N([H])C([H])([H])C1=C([H])C(=C([H])C([H])=C1[H])C(=O)N([H])C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H])C1=C([H])C([H])=C(C#N)C([H])=C1[H]	112.5
[H]N(C(=O)N([H])C([H])([H])C1=C([H])C(=C([H])C([H])=C1[H])C(=O)N([H])C1=C([H])C([H])=C2C(=C1[H])C([H])([H])N([H])C([H])([H])C2([H])[H])C1=C([H])C([H])=C(C#N)C([H])=C1[H]	31
[H]N(C(=O)C1=C([H])C([H])=C([H])C(=C1[H])C([H])([H])N([H])C(=O)C1=C([H])C([H])=C(OC([H])([H])[H])C(Cl)=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H]	161
[H]N(C(=O)C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C1[H])C([H])([H])C1=C([H])C(=C([H])C([H])=C1[H])C(=O)N([H])C([H])([H])C([H])([H])C1=C([H])C([H])=NC([H])=C1[H]	2300
[H]N(C(=O)[C@@]1([H])C([H])([H])N([H])C([H])([H])[C@]1([H])C1=C([H])C([H])=C(F)C([H])=C1[H])C1=C([H])C2=C(C([H])=C1Cl)C(=O)N([H])C([H])=C2[H]	9
[H]N(C(=O)[C@@]1([H])C([H])([H])N([H])C([H])([H])[C@]1([H])C1=C([H])C([H])=C(Br)C([H])=C1[H])C1=C([H])C2=C(C([H])=C1Cl)C(=O)N([H])C([H])=C2[H]	4
[H]N(C(=O)[C@@]1([H])C([H])([H])N([H])C([H])([H])[C@]1([H])C1=C([H])C([H])=C(Cl)C([H])=C1[H])C1=C([H])C2=C(C([H])=C1Cl)C(=O)N([H])C([H])=C2[H]	6
[H]N(C(=O)[C@@]1([H])C([H])([H])N([H])C([H])([H])[C@]1([H])C1=C([H])C(=C([H])C([H])=C1[H])C(F)(F)F)C1=C([H])C2=C(C([H])=C1Cl)C(=O)N([H])C([H])=C2[H]	4
[H]N(C(=O)[C@@]1([H])C([H])([H])N([H])C([H])([H])[C@]1([H])C1=C(Cl)C([H])=C(Cl)C([H])=C1[H])C1=C([H])C2=C(C([H])=C1Cl)C(=O)N([H])C([H])=C2[H]	8
[H]N(C(=O)[C@@]1([H])C([H])([H])N([H])C([H])([H])[C@]1([H])C1=NC([H])=C([H])C([H])=C1[H])C1=C([H])C2=C(C([H])=C1Cl)C(=O)N([H])C([H])=C2[H]	14
[H]N(C(=O)[C@@]1([H])C([H])([H])N([H])C([H])([H])[C@]1([H])C1=C([H])N=C([H])C([H])=C1[H])C1=C([H])C2=C(C([H])=C1Cl)C(=O)N([H])C([H])=C2[H]	8
[H]N(C(=O)[C@@]1([H])C([H])([H])N([H])C([H])([H])[C@]1([H])C1=C([H])C([H])=NC([H])=C1[H])C1=C([H])C2=C(C([H])=C1Cl)C(=O)N([H])C([H])=C2[H]	26
[H]N([H])[C@@]([H])(C(=O)N([H])C1=C([H])C2=C(C([H])=C1Cl)C(=O)N([H])C([H])=C2[H])C1=C([H])C([H])=C([H])C(Cl)=C1[H]	15
[H]N(C(=O)[C@@]([H])(N([H])C([H])([H])[H])C1=C([H])C([H])=C([H])C([H])=C1[H])C1=C([H])C2=C(C([H])=C1Cl)C(=O)N([H])C([H])=C2[H]	12
[H]N(C(=O)C1([H])C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H])C1=C([H])C2=C(C([H])=C1Cl)C(=O)N([H])C([H])=C2[H]	31
[H]N(C(=O)C1([H])C([H])([H])C([H])([H])N([H])C([H])([H])C1([H])[H])C1=C([H])C2=C(C([H])=C1Cl)C(=O)N([H])C([H])=C2[H]	28
[H]N(C(=O)[C@@]1([H])C([H])([H])N([H])C([H])([H])C1([H])[H])C1=C([H])C2=C(C([H])=C1Cl)C(=O)N([H])C([H])=C2[H]	67
[H]N(C(=O)[C@@]1([H])C([H])([H])N([H])C([H])([H])C([H])([H])C1([H])[H])C1=C([H])C2=C(C([H])=C1Cl)C(=O)N([H])C([H])=C2[H]	47
[H]N(C(=O)C1(C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C([H])([H])N([H])C([H])([H])C1([H])[H])C1=C([H])C2=C(C([H])=C1Cl)C(=O)N([H])C([H])=C2[H]	230
[H]N(C(=O)[C@]1(C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])N([H])C([H])([H])C1([H])[H])C1=C([H])C2=C(C([H])=C1Cl)C(=O)N([H])C([H])=C2[H]	240
[H]N(C(=O)[C@]1([H])C([H])([H])N([H])C([H])([H])C([H])([H])[C@]1([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C1=C([H])C2=C(C([H])=C1Cl)C(=O)N([H])C([H])=C2[H]	6
[H]N(C(=O)[C@@]1([H])C([H])([H])N([H])C([H])([H])[C@]1([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C1=C([H])C2=C(C([H])=C1Cl)C(=O)N([H])C([H])=C2[H]	6
[H]N(C(=O)[C@@]1([H])C([H])([H])N([H])C([H])([H])[C@]1([H])C1=C([H])C([H])=C([H])C(Br)=C1[H])C1=C([H])C2=C(C([H])=C1Cl)C(=O)N([H])C([H])=C2[H]	2
[H]N(C(=O)[C@@]1([H])C([H])([H])N([H])C([H])([H])[C@]1([H])C1=C([H])C(OC([H])([H])[H])=C([H])C([H])=C1[H])C1=C([H])C2=C(C([H])=C1Cl)C(=O)N([H])C([H])=C2[H]	4
[H]N(C(=O)[C@@]1([H])C([H])([H])N([H])C([H])([H])[C@]1([H])C1=C([H])C(=C([H])C([H])=C1[H])C([H])(C([H])([H])[H])C([H])([H])[H])C1=C([H])C2=C(C([H])=C1Cl)C(=O)N([H])C([H])=C2[H]	5
[H]N(C(=O)[C@@]1([H])C([H])([H])N([H])C([H])([H])[C@]1([H])C1=C([H])C(=C([H])C([H])=C1[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C1=C([H])C2=C(C([H])=C1Cl)C(=O)N([H])C([H])=C2[H]	11
[H]N(C(=O)[C@@]1([H])C([H])([H])N([H])C([H])([H])[C@]1([H])C1=C([H])C(OC(F)(F)F)=C([H])C([H])=C1[H])C1=C([H])C2=C(C([H])=C1Cl)C(=O)N([H])C([H])=C2[H]	7
[H]N(C(=O)[C@@]1([H])C([H])([H])N([H])C([H])([H])[C@]1([H])C1=C([H])C(=C([H])C([H])=C1[H])C([H])([H])[H])C1=C([H])C2=C(C([H])=C1Cl)C(=O)N([H])C([H])=C2[H]	5
[H]N([H])C([H])([H])C(=O)N([H])C1=C([H])C2=C(C([H])=C1Cl)C(=O)N([H])C([H])=C2[H]	120
[H]N(C(=O)C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C1[H])C([H])([H])C1=C([H])C(=C([H])C([H])=C1[H])C(=O)N([H])C([H])([H])C([H])([H])C([H])([H])[H]	5000
[H]N(C(=O)C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C1[H])C([H])([H])C1=C([H])C(=C([H])C([H])=C1[H])C(=O)N([H])C([H])([H])[C@@]1([H])OC([H])([H])C([H])([H])C1([H])[H]	1200
[H]N(C(=O)N([H])C([H])([H])C1=C([H])C(=C([H])C([H])=C1[H])C(=O)N([H])C([H])([H])C([H])([H])C1=C([H])C([H])=NC([H])=C1[H])C1=C([H])C(C#N)=C([H])C([H])=C1[H]	5500
[H]N(C(=O)N([H])C([H])([H])C1=C([H])C(=C([H])C([H])=C1[H])C(=O)N([H])C([H])([H])[C@@]1([H])OC([H])([H])C([H])([H])C1([H])[H])C1=C([H])C(C#N)=C([H])C([H])=C1[H]	3500
[H]N1C([H])([H])C([H])([H])C([H])([H])N([C@@]([H])(C([H])([H])[H])C1([H])[H])S(=O)(=O)C1=C([H])C([H])=C([H])C2=C1C(=C([H])N=C2[H])C([H])([H])[H]	12
[H]N(C(=O)N([H])C([H])([H])C1=C([H])C(=C([H])C([H])=C1[H])C(=O)N([H])C([H])([H])C([H])([H])[C@]1([H])C([H])([H])N([H])C([H])([H])C([H])([H])C1([H])[H])C1=C([H])C(C#N)=C([H])C([H])=C1[H]	89
[H]N(C(=O)N([H])C([H])([H])C1=C([H])C(=C([H])C([H])=C1[H])C(=O)N([H])C([H])([H])C([H])([H])[C@]1([H])C([H])([H])N([H])C([H])([H])C([H])([H])C1([H])[H])C1=C([H])C([H])=C(C#N)C([H])=C1[H]	18
[H]N(C1=C([H])C(=NS1)C([H])([H])N1C([H])([H])C([H])([H])C(F)(F)C1([H])[H])C1=NC(=C([H])N2C1=NC([H])=C2C1=C([H])N([H])N=C1[H])C([H])([H])[H]	100
[H]OC([H])([H])C(N(C([H])([H])C1=NSC(N([H])C2=NC(=C([H])N3C2=NC([H])=C3C2=C([H])N([H])N=C2[H])C([H])([H])[H])=C1[H])C([H])([H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]	100
[H]N(C([H])([H])C(\[H])=C(/[H])C1=C([H])C([H])=C(Br)C([H])=C1[H])C([H])([H])C([H])([H])N([H])S(=O)(=O)C1=C([H])C([H])=C([H])C2=C([H])N=C([H])C([H])=C12	987.195
[H]N([H])S(=O)(=O)C1=C([H])C([H])=C(N([H])C2=NC(OC([H])([H])C3([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C3([H])[H])=C3N=C([H])N([H])C3=N2)C([H])=C1[H]	600
[H]N([H])C1=NC([H])=C([H])N2C(=NC(=C12)C1=C([H])C2=NC(=C([H])C([H])=C2C([H])=C1[H])C1=C([H])C([H])=C([H])C([H])=C1[H])[C@@]1([H])C([H])([H])[C@@]([H])(C([H])([H])N2C([H])([H])C([H])([H])C2([H])[H])C1([H])[H]	5000
[H]N([H])[C@]([H])(C([H])([H])[H])[C@@]1([H])C([H])([H])C([H])([H])[C@]([H])(C(=O)N([H])C2=C([H])C([H])=NC([H])=C2[H])C([H])([H])C1([H])[H]	280
[H]C1=NC([H])=C2C([H])=C([H])C(O[C@]3([H])C([H])([H])N(C([H])([H])C4=C([H])C([H])=C([H])C([H])=C4[H])C([H])([H])C([H])([H])C3([H])[H])=C([H])C2=C1[H]	79.43
[H]N([H])C1=C2C([H])=C([H])C(=C([H])C2=C([H])C([H])=N1)C([H])([H])N([H])C([H])([H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]	1288.25
[H]OC1=C2C([H])=C([H])C([H])=C(C2=C([H])C([H])=N1)S(=O)(=O)N1C([H])([H])C([H])([H])N([H])C([H])([H])C([H])([H])C1([H])[H]	575.44
[H]N([H])C1=C2C([H])=C([H])C([H])=C(C2=C([H])C([H])=N1)S(=O)(=O)N1C([H])([H])C([H])([H])N([H])C([H])([H])C([H])([H])C1([H])[H]	575.44
[H]N1C([H])=C([H])C2=C(C([H])=C([H])C(O[C@]3([H])C([H])([H])N([H])C([H])([H])C([H])([H])C3([H])[H])=C2[H])C1=O	38.9
[H]N([H])C1=C2C([H])=C([H])C(O[C@]3([H])C([H])([H])N(C([H])([H])C4=C([H])C([H])=C([H])C([H])=C4[H])C([H])([H])C([H])([H])C3([H])[H])=C([H])C2=C([H])C([H])=N1	91.2
[H]N([H])C1=C2C([H])=C([H])C(O[C@]3([H])C([H])([H])N([H])C([H])([H])C([H])([H])C3([H])[H])=C([H])C2=C([H])C([H])=N1	1122.02
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[H]N=C(N([H])[H])N([H])C([H])([H])C([H])([H])C([H])([H])[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])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=O)[C@]([H])(N([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])C1([H])[H])S(=O)(=O)C1=C([H])C([H])=C([H])C2=C([H])N=C([H])C([H])=C12)C([H])([H])C([H])([H])C([H])([H])C([H])([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])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])([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(=O)N([H])[H]	328.98
[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)N([H])[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)N([H])[C@@]([H])(C(=O)N([H])[C@@]([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])C([H])([H])C([H])([H])N([H])C(=N[H])N([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H])[C@@]1([H])O[H])N1C([H])=NC2=C(N=C([H])N=C12)N([H])[H]	105.3175
[H]N=C(N([H])[H])N([H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=O)[C@@]([H])(N([H])C(=O)C([H])([H])N([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])N([H])S(=O)(=O)C1=C([H])C([H])=C([H])C2=C([H])N=C([H])C([H])=C12)C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=N[H])N([H])[H])C(=O)N([H])[H]	4236.0675
[H]N=C(N([H])[H])N([H])C([H])([H])C([H])([H])C([H])([H])[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])([H])N([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])N([H])S(=O)(=O)C1=C([H])C([H])=C([H])C2=C([H])N=C([H])C([H])=C12)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])([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])([H])C([H])([H])N([H])C(=N[H])N([H])[H])C(=O)N([H])[H]	78.88
[H]N=C(N([H])[H])N([H])C([H])([H])C([H])([H])C([H])([H])[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])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])C([H])([H])C([H])([H])N([H])S(=O)(=O)C1=C([H])C([H])=C([H])C2=C1C([H])=C([H])N=C2[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])([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])([H])C([H])([H])N([H])C(=N[H])N([H])[H])C(=O)N([H])[H]	2.45
[H]OC([H])([H])[C@@]([H])(N([H])C(=O)N([H])C1=C([H])C([H])=C(C([H])=C1[H])C1=C([H])C([H])=NC([H])=C1[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	3810
[H]N(C(=O)N([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])C1=C([H])C([H])=NC([H])=C1[H]	260
[H]N(C(=O)N([H])C([H])([H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C1=C([H])C2=C(N([H])N=C2[H])C([H])=C1[H]	670
[H]N(C(=O)N([H])C([H])([H])C([H])([H])C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H])C1=C([H])C2=C(N([H])N=C2[H])C([H])=C1[H]	800
[H]N(C(=O)N([H])C([H])([H])C([H])([H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C1=C([H])C2=C(N([H])N=C2[H])C([H])=C1[H]	1070
[H]N(C(=O)N([H])C([H])([H])C([H])([H])C1=C([H])C([H])=C(Cl)C([H])=C1[H])C1=C([H])C2=C(N([H])N=C2[H])C([H])=C1[H]	1100
[H]O[C@]([H])(C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])N([H])C(=O)N([H])C1=C([H])C2=C(N([H])N=C2[H])C([H])=C1[H]	1500
[H]OC([H])([H])[C@@]([H])(N([H])C(=O)N([H])C1=C([H])C2=C(N([H])N=C2[H])C([H])=C1[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]	2300
[H]N(C(=O)N([H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C1=C([H])C2=C(N([H])N=C2[H])C([H])=C1[H]	5500
[H]N(C(=O)N(C([H])([H])[H])C([H])([H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C1=C([H])C2=C(N([H])N=C2[H])C([H])=C1[H]	7500
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O=C(NCC1CCCCC1)NC1=CC=C(C=C1)C1=CNN=C1	751
COC1=CC(CNC(=O)N(CCO)C2=CC=C(C=C2)C2=CNN=C2)=CC=C1	611
COC1=CC=C(OC)C(CNC(=O)NC2=CC=C(C=C2)C2=CNN=C2)=C1	570
COC1=CC=C(CNC(=O)NC2=CC=C(C=C2)C2=CNN=C2)C=C1OC	425
COC1=CC=C(CNC(=O)NC2=CC=C(C=C2)C2=CNN=C2)C=C1F	357
COC1=CC=C(CNC(=O)NC2=CC=C(C=C2)C2=CNN=C2)C(OC)=C1	331
O=C(NC1=CC=CC=C1)NC1=CC=C(C=C1)C1=CNN=C1	304
COC1=CC(OC)=CC(CNC(=O)NC2=CC=C(C=C2)C2=CNN=C2)=C1	281
O=C(NC1=CC=C(C=C1)C1=CNN=C1)N1CCC2=C(C1)C=CC=C2	280
COC1=C(OC)C(CNC(=O)NC2=CC=C(C=C2)C2=CNN=C2)=CC=C1	253
COC1=CC(CN(CCN(C)C)C(=O)NC2=CC=C(C=C2OCCN(C)C)C2=CNN=C2)=CC=C1	170
O=C(NCCC1=CC=CC=C1)NC1=CC=C(C=C1)C1=CNN=C1	88
[H][C@]12C[C@H]([C@H](OC)[C@@](C)(O1)N1C3=CC=CC=C3C3=C1C1=C(C4=C(C=CC=C4)N21)C1=C3CNC1=O)N(C)C(=O)C1=CC=CC=C1	2300
NC1(CCN(CC1)C1=NC=NC2=C1C=CN2)C(=O)N[C@@H](CCO)C1=CC=C(Cl)C=C1	84
COCCC(NC(=O)C1(N)CCN(CC1)C1=NC=NC2=C1C=CN2)C1=CC=C(Cl)C=C1	204
NC1(CCN(CC1)C1=NC=NC2=C1C=CN2)C(=O)NC(CCCO)C1=CC=C(Cl)C=C1	76
NC1(CCN(CC1)C1=NC=NC2=C1C=CN2)C(=O)NC(CO)C1=CC=C(Cl)C=C1	89
CS(=O)(=O)NCCC(NC(=O)C1(N)CCN(CC1)C1=NC=NC2=C1C=CN2)C1=CC=C(Cl)C=C1	153
CS(=O)(=O)NCC(NC(=O)C1(N)CCN(CC1)C1=NC=NC2=C1C=CN2)C1=CC=C(Cl)C=C1	90
NC1(CCN(CC1)C1=NC=NC2=C1C=CN2)C(=O)NC(CCS(N)(=O)=O)C1=CC=C(Cl)C=C1	62
NC1(CCN(CC1)C1=NC=NC2=C1C=CN2)C(=O)NC(CS(N)(=O)=O)C1=CC=C(Cl)C=C1	37
CC(=O)NCC(NC(=O)C1(N)CCN(CC1)C1=NC=NC2=C1C=CN2)C1=CC=C(Cl)C=C1	182
CN(C)C(=O)CC(NC(=O)C1(N)CCN(CC1)C1=NC=NC2=C1C=CN2)C1=CC=C(Cl)C=C1	266
NC(=O)C(NC(=O)C1(N)CCN(CC1)C1=NC=NC2=C1C=CN2)C1=CC=C(Cl)C=C1	351
NC1(CCN(CC1)C1=NC=NC2=C1C=CN2)C(=O)N[C@@H](CCN1CCCCC1)C1=CC=C(Cl)C=C1	34
NC1(CCN(CC1)C1=NC=NC2=C1C=CN2)C(=O)NC(CCCN1CCCCC1)C1=CC=C(Cl)C=C1	108
NC1(CCN(CC1)C1=NC=NC2=C1C=CN2)C(=O)NC(CCCN1CCOCC1)C1=CC=C(Cl)C=C1	134
COC1=C(OC)C=C(C=C1)C(C)NC(=O)C1(N)CCN(CC1)C1=NC=NC2=C1C=CN2	1072
CC(NC(=O)C1(N)CCN(CC1)C1=NC=NC2=C1C=CN2)C1=CC=C(C=C1)S(C)(=O)=O	1144
CC(NC(=O)C1(N)CCN(CC1)C1=NC=NC2=C1C=CN2)C1=CC=CC=N1	3149
CC(NC(=O)C1(N)CCN(CC1)C1=NC=NC2=C1C=CN2)C1=CC=CN=C1	1297
CC(NC(=O)C1(N)CCN(CC1)C1=NC=NC2=C1C=CN2)C1=CC=C(F)C=C1	135
CC(NC(=O)C1(N)CCN(CC1)C1=NC=NC2=C1C=CN2)C1=CC=CC=C1	132
NC1(CCN(CC1)C1=NC=NC2=C1C=CN2)C(=O)NC(CC1=CC=CC=C1)C1=CC=C(Cl)C=C1	586
NC1(CCN(CC1)C1=NC=NC2=C1C=CN2)C(=O)NC(C1=CC=CC=C1)C1=CC=C(Cl)C=C1	576
CCC(NC(=O)C1(N)CCN(CC1)C1=NC=NC2=C1C=CN2)C1=CC=C(Cl)C=C1	126
C[C@H](NC(=O)C1(N)CCN(CC1)C1=NC=NC2=C1C=CN2)C1=CC=C(Cl)C=C1	101
[H]N([H])C1(C(=O)N([H])C([H])([H])C2=C([H])C([H])=C(Cl)C([H])=C2[H])C([H])([H])C([H])([H])N(C2=NC([H])=NC3=C2C([H])=C([H])N3[H])C([H])([H])C1([H])[H]	66
[H][C@@]12C[C@@](O)(CO)[C@](C)(O1)N1C3=C(C=CC=C3)C3=C1C1=C(C4=C(C=CC=C4)N21)C1=C3CNC1=O	71