smile	binding.affinity
[H]N(C(=O)C1([H])C([H])([H])C1([H])[H])C1=NN2C(=N1)C([H])=C([H])C([H])=C2C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])N1C([H])([H])C([H])([H])S(=O)(=O)C([H])([H])C1([H])[H]	49.195
[H]N(C(=O)C1([H])C([H])([H])C1([H])[H])C1=NN2C(=N1)C([H])=C([H])C([H])=C2C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H]	51.51
[H]N(C(=O)C1([H])C([H])([H])C1([H])[H])C1=NN2C(=N1)C([H])=C([H])C([H])=C2C1=C([H])C(=C([H])C([H])=C1[H])C([H])([H])N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H]	291
[H]N(C(=O)C1([H])C([H])([H])C1([H])[H])C1=NN2C(=N1)C([H])=C([H])C([H])=C2C1=C([H])N=C(C([H])=C1[H])N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H]	1032
[H]N(C(=O)C1([H])C([H])([H])C1([H])[H])C1=NN2C(=N1)C([H])=C([H])C([H])=C2C1=C([H])C([H])=C(C([H])=C1[H])N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H]	1450
[H]N(C(=O)C1([H])C([H])([H])C1([H])[H])C1=NN2C(=N1)C([H])=C([H])C([H])=C2C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])N1C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H]	3448
[H]N(C(=O)C1([H])C([H])([H])C1([H])[H])C1=NN2C(=N1)C([H])=C([H])C([H])=C2C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])N1C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	504.1
[H]N([H])C(=O)C1([H])C([H])([H])C([H])([H])N(C([H])([H])C2=C([H])C([H])=C(C([H])=C2[H])C2=C([H])C([H])=C([H])C3=NC(=NN23)N([H])C(=O)C2([H])C([H])([H])C2([H])[H])C([H])([H])C1([H])[H]	435
[H]N(C(=O)C1([H])C([H])([H])C1([H])[H])C1=NN2C(=N1)C([H])=C([H])C([H])=C2C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])N1C([H])([H])C([H])([H])N(C(=O)C([H])([H])[H])C([H])([H])C1([H])[H]	334.3
[H]N(C(=O)C1([H])C([H])([H])C1([H])[H])C1=NN2C(=N1)C([H])=C([H])C([H])=C2C1=C([H])C([H])=C(C([H])=C1[H])C(=O)N1C([H])([H])C([H])([H])S(=O)(=O)C([H])([H])C1([H])[H]	18.16
[H]N(C(=O)C1([H])C([H])([H])C1([H])[H])C1=NN2C(=N1)C([H])=C([H])C([H])=C2C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])N1C([H])([H])C([H])([H])C(F)(F)C([H])([H])C1([H])[H]	7.69
[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]	34.525
[H]OC1=C(O[H])C([H])=C(\C([H])=C(/C#N)C(=O)N([H])C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])=C1[H]	3380
[H]N(C(=O)C1=C(N([H])C([H])([H])[H])C([H])=C([H])N(C1=O)C1=C([H])C([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C(OC2=C([H])C([H])=NC3=C2C([H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C3[H])C([H])=N1	1000
[H]N1C([H])=C([H])C2=C1N=C([H])N=C2C1=C([H])N(N=C1[H])[C@]([H])(C([H])([H])C#N)C1([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	13.65
[H]N(C([H])([H])[H])S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])C1=C2N=C(C([H])=NC2=C([H])C([H])=C1[H])C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C1[H]	130
[H]C1=C([H])C(C2=C([H])C([H])=C(C([H])=C2[H])C([H])([H])C(=O)N2C([H])([H])C([H])([H])OC([H])([H])C2([H])[H])=C2N=C(C([H])=NC2=C1[H])C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C1[H]	91
[H]C1=C([H])C(C2=C([H])C([H])=C(C([H])=C2[H])C([H])([H])C(=O)N2C([H])([H])C([H])([H])S(=O)(=O)C([H])([H])C2([H])[H])=C2N=C(C([H])=NC2=C1[H])C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C1[H]	35
[H]C1=C([H])C(C2=C([H])C([H])=C(C([H])=C2[H])C([H])([H])N2C([H])([H])C([H])([H])S(=O)(=O)C([H])([H])C2([H])[H])=C2N=C(C([H])=NC2=C1[H])C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C1[H]	98
[H]C1=NC2=C([H])C(F)=C([H])C(C3=C([H])C([H])=C(C([H])=C3[H])C([H])([H])C(=O)N3C([H])([H])C([H])([H])OC([H])([H])C3([H])[H])=C2N=C1C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C1[H]	940
[H]C1=C([H])C(C2=C([H])C([H])=C(C([H])=C2[H])C(=O)N2C([H])([H])C([H])([H])OC([H])([H])C2([H])[H])=C2N=C(C([H])=NC2=C1[H])C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C1[H]	390
[H]C1=C([H])C(C2=C([H])C([H])=C(C([H])=C2[H])C([H])([H])N2C([H])([H])C([H])([H])OC([H])([H])C2([H])[H])=C2N=C(C([H])=NC2=C1[H])C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C1[H]	1500
[H]C1=C([H])C(C2=C([H])C([H])=C(C(=C2[H])C([H])([H])[H])C([H])([H])N2C([H])([H])C([H])([H])OC([H])([H])C2([H])[H])=C2N=C(C([H])=NC2=C1[H])C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C1[H]	1850
[H]C1=C([H])C(C2=C([H])C(=C(C([H])=C2[H])C(=O)N2C([H])([H])C([H])([H])OC([H])([H])C2([H])[H])C([H])([H])[H])=C2N=C(C([H])=NC2=C1[H])C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C1[H]	460
[H]C1=C([H])C(C2=C([H])C(F)=C(C([H])=C2[H])C([H])([H])N2C([H])([H])C([H])([H])OC([H])([H])C2([H])[H])=C2N=C(C([H])=NC2=C1[H])C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C1[H]	250
[H]C1=C([H])C(=C2N=C(C([H])=NC2=C1[H])C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C1[H])C1=C(C([H])=C(C([H])=C1[H])C([H])([H])N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])C([H])([H])[H]	1200
[H]C1=C([H])C(=C2N=C(C([H])=NC2=C1[H])C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C1[H])C1=C(F)C([H])=C(C([H])=C1[H])C([H])([H])N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H]	4700
[H]C1=C([H])C(C2=C([H])C([H])=C(C([H])=C2[H])C([H])([H])N2C([H])([H])C([H])([H])S(=O)(=O)C([H])([H])C2([H])[H])=C2N=C(C([H])=NC2=C1[H])C1=C([H])C(=C(C([H])=C1[H])C(=O)N1C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H])C([H])([H])[H]	89
[H]C1=C([H])C(C2=C([H])C([H])=C(C(=C2[H])C([H])([H])[H])C([H])([H])N2C([H])([H])C([H])([H])OC([H])([H])C2([H])[H])=C2N=C(C([H])=NC2=C1[H])C1=C([H])C(=C(C([H])=C1[H])C(=O)N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])C([H])([H])[H]	362
[H]C1=C([H])C(C2=C([H])C(F)=C(C([H])=C2[H])C([H])([H])N2C([H])([H])C([H])([H])OC([H])([H])C2([H])[H])=C2N=C(C([H])=NC2=C1[H])C1=C([H])C(=C(C([H])=C1[H])C(=O)N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])C([H])([H])[H]	190
[H]C1=C([H])C(C2=C([H])C(F)=C(C(F)=C2[H])C([H])([H])N2C([H])([H])C([H])([H])OC([H])([H])C2([H])[H])=C2N=C(C([H])=NC2=C1[H])C1=C([H])C(=C(C([H])=C1[H])C(=O)N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])C([H])([H])[H]	60
[H]C1=C([H])C(C2=C([H])C(F)=C(C(F)=C2[H])C([H])([H])N2C([H])([H])C([H])([H])OC([H])([H])C2([H])[H])=C2N=C(C([H])=NC2=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])N1C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H]	28
[H]C1=C([H])C(C2=C([H])C(F)=C(C(F)=C2[H])C([H])([H])N2C([H])([H])C([H])([H])S(=O)(=O)C([H])([H])C2([H])[H])=C2N=C(C([H])=NC2=C1[H])C1=C([H])C([H])=C(N=C1[H])N1C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H]	82
[H]N1C([H])([H])C([H])([H])C([H])(N2N=C([H])C(=C2[H])C2=NC3=C(C([H])=C([H])C([H])=C3N=C2[H])C2=C([H])C(F)=C(C(F)=C2[H])C([H])([H])N2C([H])([H])C([H])([H])OC([H])([H])C2([H])[H])C([H])([H])C1([H])[H]	303
[H]N(C(=O)C1=C([H])C([H])=C(C([H])=C1[H])C1=C([H])C([H])=NC(=N1)N([H])C1=C([H])C([H])=C(C([H])=C1[H])N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])C([H])([H])C#N	11
[H]N(C1=NC2=C(O1)C(=C([H])C([H])=C2[H])C1=C([H])C([H])=C([H])C([H])=N1)C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C1[H]	760
[H]N(C1=NC2=C(O1)C(=C([H])C([H])=C2[H])C1=C([H])C([H])=C([H])C([H])=C1[H])C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C1[H]	710
[H]N(C1=NC2=C(O1)C(=C([H])C([H])=C2[H])C1=C([H])C(F)=C(C(F)=C1[H])C([H])([H])N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])C1=C([H])C(=C(C([H])=C1[H])C(=O)N([H])C([H])([H])C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]	35
[H]N(C1=NC2=C(O1)C(=C([H])C([H])=C2[H])C1=C([H])C([H])=C([H])C(Cl)=C1[H])C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C1[H]	5300
[H]N(C1=NC2=C(O1)C(=C([H])C([H])=C2[H])C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H])C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C1[H]	8900
[H]N(C1=NC2=C(O1)C(=C([H])C([H])=C2[H])C1=C([H])C([H])=C2N=C([H])C([H])=C([H])C2=C1[H])C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C1[H]	210
[H]N(C1=NC2=C(O1)C(=C([H])C([H])=C2[H])C1=C([H])C([H])=C([H])C(N([H])S(=O)(=O)C([H])([H])[H])=C1[H])C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C1[H]	680
[H]N(C1=NC2=C(O1)C(=C([H])C([H])=C2[H])C1=C([H])C([H])=C(N([H])S(=O)(=O)C([H])([H])[H])C([H])=C1[H])C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C1[H]	47
[H]N(C1=NC2=C(O1)C(=C([H])C([H])=C2[H])C1=C([H])C([H])=C(C([H])=C1[H])C(=O)N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C1[H]	27.5
[H]N(C(=O)C1=C(C([H])=C(N([H])C2=NC3=C(O2)C(=C([H])C([H])=C3[H])C2=C([H])C(F)=C(C(F)=C2[H])C([H])([H])N2C([H])([H])C([H])([H])OC([H])([H])C2([H])[H])C([H])=C1[H])C([H])([H])[H])C([H])([H])[H]	48
[H]N(C1=NC2=C(O1)C(=C([H])C([H])=C2[H])C1=C([H])C(=C(C([H])=C1[H])C(=O)N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])C([H])([H])[H])C1=C([H])C([H])=C(C([H])=C1[H])N1C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H]	67
[H]N(C1=NC2=C(O1)C(=C([H])C([H])=C2[H])C1=C([H])C(F)=C(C([H])=C1[H])C(=O)N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C1[H]	22
[H]N(C1=NC2=C(O1)C(=C([H])C([H])=C2[H])C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C1[H]	82
[H]N(C1=NC2=C(O1)C(=C([H])C([H])=C2[H])C1=C([H])C([H])=C(C([H])=C1[H])C(=O)N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])C1=C([H])C([H])=C(C([H])=C1[H])C(=O)N(C([H])([H])[H])C([H])([H])[H]	180
[H]N(C1=NC2=C(O1)C(=C([H])C([H])=C2[H])C1=C([H])C([H])=C(C([H])=C1[H])C(=O)N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])C1=C([H])C(=C(C([H])=C1[H])C(=O)N(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]	130
[H]N(C1=NC2=C(O1)C(=C([H])C([H])=C2[H])C1=C([H])C(F)=C(C(F)=C1[H])C([H])([H])N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])C1=C([H])C(=C(C([H])=C1[H])C(=O)N(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]	140
[H][C@]12C[C@H]([C@@H](OC)[C@](C)(O1)N1C3=C(C=CC=C3)C3=C1C1=C(C4=C(C=CC=C4)N21)C1=C3[C@H](O)NC1=O)N(C)C(=O)C1=CC=CC=C1	7200
[H]OC(C(=O)N1C([H])([H])C([H])([H])N(C2=C([H])C(C3=C(C(=O)N([H])C3=O)C3=C([H])N([H])C4=C3C([H])=C([H])C([H])=C4[H])=C(C([H])=C2[H])C(F)(F)F)C([H])([H])C1([H])[H])(C([H])([H])[H])C([H])([H])[H]	1017
[H]N1C([H])=C(C2=C1C([H])=C([H])C([H])=C2[H])C1=C(C(=O)N([H])C1=O)C1=C(C([H])=C([H])C(=C1[H])N1C([H])([H])C([H])([H])N([H])C([H])([H])C1([H])[H])C(F)(F)F	737
[H]N1C([H])=C(C2=C1C([H])=C([H])C([H])=C2[H])C1=C(C(=O)N([H])C1=O)C1=C(C([H])=C([H])C(=C1[H])N(C([H])([H])[H])C([H])([H])[H])C(F)(F)F	4700
[H]N1C([H])=C(C2=C1C([H])=C([H])C([H])=C2[H])C1=C(C(=O)N([H])C1=O)C1=C(C([H])=C([H])C(=C1[H])N1C([H])([H])C([H])([H])N(C([H])=O)C([H])([H])C1([H])[H])C(F)(F)F	754
[H]N1C([H])=C(C2=C1C([H])=C([H])C([H])=C2[H])C1=C(C(=O)N([H])C1=O)C1=C(C([H])=C([H])C(=C1[H])N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])C(F)(F)F	6500
[H]N1C([H])=C(C2=C1C([H])=C([H])C([H])=C2[H])C1=C(C(=O)N([H])C1=O)C1=NC(=NC([H])=C1C(F)(F)F)N1C([H])([H])C([H])([H])C(=O)C([H])([H])C1([H])[H]	253
[H]N(C1=NC([H])=C(C(=N1)N([H])C1=C([H])C(=C([H])C([H])=C1[H])S(=O)(=O)N([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C1=C([H])C([H])=C(OC([H])([H])C([H])([H])N2C([H])([H])C([H])([H])C([H])([H])C2([H])[H])C([H])=C1[H]	554.5
[H]N([H])C1=NC(=NN1C(=O)C1=C(F)C([H])=C([H])C([H])=C1F)N([H])C1=C([H])C([H])=C([H])C(=C1[H])S(=O)(=O)N([H])[H]	19
[H]N([H])C1=NC(=NN1C(=O)C1=C(F)C([H])=C([H])C([H])=C1F)N([H])C1=C([H])C([H])=C([H])C(=C1[H])C(=O)OC([H])([H])C([H])([H])[H]	990
[H]OC(=O)C1=C([H])C(N([H])C2=NN(C(=O)C3=C(F)C([H])=C([H])C([H])=C3F)C(=N2)N([H])[H])=C([H])C([H])=C1[H]	610
[H]N([H])C1=NC(=NN1C(=O)C1=C(F)C([H])=C([H])C([H])=C1F)N([H])C1=C([H])C([H])=C(C([H])=C1[H])C(=O)OC([H])([H])[H]	500
[H]OC(=O)C1=C([H])C([H])=C(N([H])C2=NN(C(=O)C3=C(F)C([H])=C([H])C([H])=C3F)C(=N2)N([H])[H])C([H])=C1[H]	45
[H]N([H])C1=NC(=NN1C(=O)C1=C(F)C([H])=C([H])C([H])=C1F)N([H])C1=C([H])C([H])=C([H])C([H])=C1[H]	230
[H]N([H])C1=NC(=NN1C(=O)C1=C(F)C([H])=C([H])C([H])=C1F)N([H])C1=C([H])C([H])=C([H])C(=C1[H])N(C([H])([H])[H])C([H])([H])[H]	39
[H]N([H])C1=NC(=NN1C(=O)C1=C(F)C([H])=C([H])C([H])=C1F)N([H])C1=C([H])C([H])=C(C([H])=C1[H])N(C([H])([H])[H])C([H])([H])[H]	80
[H]N([H])C1=NC(=NN1C(=O)C1=C(F)C([H])=C([H])C([H])=C1F)N([H])C1=C([H])C([H])=C([H])N=C1[H]	160
[H]N1C([H])=C([H])C2=C(N=C([H])N=C12)N(C([H])([H])[H])[C@@]1([H])C([H])([H])N(C(=O)[C@@]([H])(C#N)C([H])([H])[H])C([H])([H])C([H])([H])[C@@]1([H])C([H])([H])[H]	490
[H]N1C([H])=C([H])C2=C(N=C([H])N=C12)N(C([H])([H])[H])C1([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	670
[H]N1C([H])=C([H])C2=C(N=C([H])N=C12)N(C([H])([H])[H])[C@@]1([H])C([H])([H])C([H])([H])[C@]([H])(C([H])([H])[H])C([H])([H])C1([H])[H]	1200
[H]OC([H])([H])C(=O)N1C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@@]([H])(N(C2=C3C([H])=C([H])N([H])C3=NC([H])=N2)C([H])([H])[H])C1([H])[H]	840
[H]N(C(=O)N1C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@@]([H])(N(C2=C3C([H])=C([H])N([H])C3=NC([H])=N2)C([H])([H])[H])C1([H])[H])C1=C([H])C(=NS1)C([H])([H])[H]	1120
[H]N1C([H])=C([H])C2=C(N=C([H])N=C12)N(C([H])([H])[H])[C@@]1([H])C([H])([H])N(C(=O)C([H])([H])C(F)(F)F)C([H])([H])C([H])([H])[C@@]1([H])C([H])([H])[H]	1480
[H]N1C([H])=C([H])C2=C(N=C([H])N=C12)N(C([H])([H])[H])[C@@]1([H])C([H])([H])N(C(=O)[C@@]2([H])C([H])([H])C(=O)C([H])([H])C2([H])[H])C([H])([H])C([H])([H])[C@@]1([H])C([H])([H])[H]	1550
[H]N1C([H])=C([H])C2=C(N=C([H])N=C12)N(C([H])([H])[H])C1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	1700
[H]N1C([H])=C([H])C2=C(N=C([H])N=C12)N1C([H])([H])C([H])([H])[C@]2([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@]12[H]	1760
[H]N1C([H])=C([H])C2=C(N=C([H])N=C12)N(C([H])([H])[H])[C@@]1([H])C([H])([H])N(C(=O)C([H])([H])C2([H])C([H])([H])C2([H])[H])C([H])([H])C([H])([H])[C@@]1([H])C([H])([H])[H]	1910
[H]N1C([H])=C([H])C2=C(N=C([H])N=C12)N(C([H])([H])[H])[C@@]1([H])C([H])([H])N(C([H])([H])C([H])([H])[C@@]1([H])C([H])([H])[H])S(=O)(=O)C([H])([H])C(F)(F)F	2780
[H]N1C([H])=C([H])C2=C(N=C([H])N=C12)N(C([H])([H])[H])[C@@]1([H])C([H])([H])N(C(=O)[C@]2([H])C(=O)N(C([H])([H])C3=C([H])C([H])=C([H])C([H])=C3[H])C([H])([H])C2([H])[H])C([H])([H])C([H])([H])[C@@]1([H])C([H])([H])[H]	7140
[H]N1C([H])=C([H])C2=C(N=C([H])N=C12)N(C([H])([H])[H])[C@@]1([H])C([H])([H])N(C(=O)C(C#N)(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])[C@@]1([H])C([H])([H])[H]	7500
[H]N1C([H])=C([H])C2=C3N(C([H])=NC3=C([H])N=C12)C1([H])C([H])([H])C([H])([H])N(C(=O)C([H])([H])C#N)C([H])([H])C1([H])[H]	5009.5
[H]N1C([H])=C([H])C2=C3N(C([H])=NC3=C([H])N=C12)C1([H])C([H])([H])C([H])([H])N(C(=O)C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	659
[H]N1C([H])=C([H])C2=C3N(C([H])=NC3=C([H])N=C12)C1([H])C([H])([H])C([H])([H])N(C(=O)C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C1([H])[H]	914
[H]N1C([H])=C([H])C2=C3N(C([H])=NC3=C([H])N=C12)C1([H])C([H])([H])C([H])([H])N(C([H])([H])C1([H])[H])S(=O)(=O)C1=C([H])C([H])=C([H])C([H])=C1[H]	274.8
[H]N1C([H])=C([H])C2=C3N(C([H])=NC3=C([H])N=C12)C1([H])C([H])([H])C([H])([H])N(C([H])([H])C1([H])[H])S(=O)(=O)C([H])([H])[H]	70.6
[H]N1C([H])=C([H])C2=C3N(C([H])=NC3=C([H])N=C12)C1([H])C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])[H])C([H])([H])C1([H])[H]	285
[H]N1C([H])=C([H])C2=C3N(C([H])=NC3=C([H])N=C12)C1([H])C([H])([H])C([H])([H])N(C([H])([H])C(F)(F)F)C([H])([H])C1([H])[H]	81.45
[H]N1C([H])=C([H])C2=C3N(C([H])=NC3=C([H])N=C12)C1([H])C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])C#N)C([H])([H])C1([H])[H]	21.8
[H]N1C([H])=C([H])C2=C3N(C([H])=NC3=C([H])N=C12)C1([H])C([H])([H])C([H])([H])N(C(=O)C([H])([H])N(C([H])([H])[H])C([H])([H])[H])C([H])([H])C1([H])[H]	3566
[H]N1C([H])=C([H])C2=C3N(C([H])=NC3=C([H])N=C12)C1([H])C([H])([H])C([H])([H])N(C(=O)[C@]2([H])N(C([H])([H])[H])C([H])([H])C([H])([H])C2([H])[H])C([H])([H])C1([H])[H]	4361
[H]N1C([H])=C([H])C2=C3N(C([H])=NC3=C([H])N=C12)C1([H])C([H])([H])C([H])([H])N(C(=O)[C@@]2([H])N(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C2([H])[H])C([H])([H])C1([H])[H]	905.5
[H]N1C([H])=C([H])C2=C3N(C([H])=NC3=C([H])N=C12)C1(C([H])([H])[H])C([H])([H])C([H])([H])N([H])C([H])([H])C1([H])[H]	488
[H]N1C([H])=C([H])C2=C3N(C([H])=NC3=C([H])N=C12)C1(C([H])([H])[H])C([H])([H])C([H])([H])N(C([H])([H])C2=C([H])N=C([H])N=C2[H])C([H])([H])C1([H])[H]	339.15
[H]N1C([H])=C([H])C2=C3N(C([H])=NC3=C([H])N=C12)C1(C([H])([H])[H])C([H])([H])C([H])([H])N(C([H])([H])C1([H])[H])S(=O)(=O)C([H])([H])[H]	105.85
[H]N1C([H])=C([H])C2=C3N(C([H])=NC3=C([H])N=C12)C1(C([H])([H])[H])C([H])([H])C([H])([H])N(C([H])([H])C(F)(F)F)C([H])([H])C1([H])[H]	33
[H]N1C([H])=C([H])C2=C3N(C([H])=NC3=C([H])N=C12)C1(C([H])([H])[H])C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])C#N)C([H])([H])C1([H])[H]	50
[H]N(C(=O)OC(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])[C@@]1([H])C([H])([H])C([H])([H])[C@]([H])(N2C([H])=NC3=C([H])N=C4N([H])C([H])=C([H])C4=C23)C([H])([H])C1([H])[H]	173.05
[H]N([H])[C@@]1([H])C([H])([H])C([H])([H])[C@]([H])(N2C([H])=NC3=C([H])N=C4N([H])C([H])=C([H])C4=C23)C([H])([H])C1([H])[H]	153.9
[H]N1C([H])=C([H])C2=C3N(C([H])=NC3=C([H])N=C12)[C@@]1([H])C([H])([H])N(C(=O)C([H])([H])C#N)C([H])([H])C([H])([H])C1([H])[H]	90.225
[H]N1C([H])=C([H])C2=C3N(C([H])=NC3=C([H])N=C12)C1([H])C([H])([H])C([H])([H])N(C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	44.2
[H]N1C([H])=C([H])C2=C3N(C([H])=NC3=C([H])N=C12)C1([H])C([H])([H])C([H])([H])N([H])C([H])([H])C1([H])[H]	722.5
[H]N1C([H])=C([H])C2=C3N(C([H])=NC3=C([H])N=C12)C1([H])C([H])([H])C([H])([H])N(C([H])([H])C2=C([H])N=C([H])N=C2[H])C([H])([H])C1([H])[H]	176
[H]N1C([H])=C([H])C2=C3N(C([H])=NC3=C([H])N=C12)[C@@]1([H])C([H])([H])C([H])([H])[C@]([H])(N2C([H])([H])C([H])([H])OC([H])([H])C2([H])[H])C([H])([H])C1([H])[H]	1418
[H]N(C(=O)C([H])(C([H])([H])[H])C([H])([H])[H])[C@@]1([H])C([H])([H])C([H])([H])[C@]([H])(N2C([H])=NC3=C([H])N=C4N([H])C([H])=C([H])C4=C23)C([H])([H])C1([H])[H]	210.5
[H]N(C([H])([H])C1([H])C([H])([H])C1([H])[H])[C@@]1([H])C([H])([H])C([H])([H])[C@]([H])(N2C([H])=NC3=C([H])N=C4N([H])C([H])=C([H])C4=C23)C([H])([H])C1([H])[H]	69.65
[H]N(C([H])([H])C([H])([H])C#N)[C@@]1([H])C([H])([H])C([H])([H])[C@]([H])(N2C([H])=NC3=C([H])N=C4N([H])C([H])=C([H])C4=C23)C([H])([H])C1([H])[H]	222.25
[H]N(C([H])([H])C1=C([H])C([H])=C([H])C(C#N)=C1[H])[C@@]1([H])C([H])([H])C([H])([H])[C@]([H])(N2C([H])=NC3=C([H])N=C4N([H])C([H])=C([H])C4=C23)C([H])([H])C1([H])[H]	92.95
[H]N([C@@]1([H])C([H])([H])C([H])([H])[C@]([H])(N2C([H])=NC3=C([H])N=C4N([H])C([H])=C([H])C4=C23)C([H])([H])C1([H])[H])S(=O)(=O)C([H])([H])[H]	351.35
[H]N(C(=O)OC([H])([H])[H])[C@@]1([H])C([H])([H])C([H])([H])[C@]([H])(N2C([H])=NC3=C([H])N=C4N([H])C([H])=C([H])C4=C23)C([H])([H])C1([H])[H]	204.75
[H]N1C([H])=C([H])C2=C3N(C([H])=NC3=C([H])N=C12)[C@@]1([H])C([H])([H])C([H])([H])[C@]([H])(N(C(=O)OC([H])([H])[H])C([H])([H])[H])C([H])([H])C1([H])[H]	341.5
[H]N(C(=O)OC([H])([H])[H])[C@]1([H])C([H])([H])C([H])([H])[C@@]([H])(N2C([H])=NC3=C([H])N=C4N([H])C([H])=C([H])C4=C23)C1([H])[H]	76.6
[H]N(C(=O)OC(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])[C@]1([H])C([H])([H])C([H])([H])[C@@]([H])(N2C([H])=NC3=C([H])N=C4N([H])C([H])=C([H])C4=C23)C1([H])[H]	46.6
[H]N1C([H])=C([H])C2=C(N=C([H])N=C12)N(C([H])([H])[H])[C@@]1([H])C([H])([H])N(C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C([H])([H])[C@@]1([H])C([H])([H])[H]	610
[H]N1C([H])=C([H])C2=C3N(C([H])=NC3=C([H])N=C12)[C@@]1([H])C([H])([H])N(C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C([H])([H])[C@@]1([H])C([H])([H])[H]	24
[H]N1C([H])=C([H])C2=C3N(C([H])=NC3=C([H])N=C12)[C@@]1([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]	15
[H]N1C([H])=C([H])C2=C3N(C([H])=NC3=C([H])N=C12)C1([H])C([H])([H])N(C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C1([H])[H]	62
[H]N1C([H])=C([H])C2=C1N=C([H])N=C2N(C([H])([H])[H])[C@]1([H])C([H])([H])[C@]([H])(C(=O)C([H])([H])C#N)C([H])([H])C([H])([H])[C@@]1([H])C([H])([H])[H]	6.1
[H]N1C(=NC2=C1C1=C(C(=O)N([H])C([H])=C1[H])C1=C2C([H])=C([H])C(F)=C1[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]	5.2
[H]O\N=C1\C2=C([H])C([H])=C(C([H])=C2C([H])([H])C1([H])[H])C1=C([H])N(N=C1C1=C([H])C([H])=NC([H])=C1[H])C([H])([H])C([H])([H])O[H]	8900
[H]N([H])C1=NC([H])=C(C([H])=C1O[C@@]([H])(C1=C(Cl)C([H])=C([H])C(F)=C1Cl)C([H])([H])[H])C1=C([H])N(N=C1[H])C1([H])C([H])([H])C([H])([H])N([H])C([H])([H])C1([H])[H]	5165
[H]N1C(=O)\C(=C(\[H])C2=C(C(C(=O)N3C([H])([H])C([H])([H])C([H])([H])[C@]3([H])C([H])([H])N3C([H])([H])C([H])([H])C([H])([H])C3([H])[H])=C(N2[H])C([H])([H])[H])C([H])([H])[H])C2=C1C([H])=C([H])C(=C2[H])S(=O)(=O)C([H])([H])C1=C(Cl)C([H])=C([H])C([H])=C1Cl	6350
[H]N([H])C(=O)C1=C2N([H])C3=C(C([H])=C([H])C(=C3[H])C3=C([H])N=C(N=C3[H])N([H])[H])C2=C(N=C1[H])N([H])[C@]([H])(C1([H])C([H])([H])C1([H])[H])C(F)(F)F	1.5
[H]N1C(=NC2=C3C([H])=C([H])C(F)=C([H])C3=C3C(=O)N([H])C([H])=C([H])C3=C12)C1=C([H])C([H])=C([H])C([H])=C1Cl	2
[H]OC([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N(C([H])([H])C2=C(C([H])=C(N([H])C(=O)C3=C([H])C([H])=C(C(C#CC4=C([H])N=C(N4C([H])([H])[H])C(=O)N([H])C([H])([H])[H])=C3[H])C([H])([H])[H])C([H])=C2[H])C(F)(F)F)C([H])([H])C1([H])[H]	55.3
[H]OC1=C([H])C2=C(N([H])C(=C2[H])C2=NN(C3=C2C(=NC([H])=N3)N([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])=C1[H]	2000
[H]N(C1=NC([H])=C2C([H])=C(C(=O)N(C2=N1)C([H])([H])[H])C1=C(Cl)C([H])=C([H])C([H])=C1Cl)C1=C([H])C(SC([H])([H])[H])=C([H])C([H])=C1[H]	5165
[H]N(C1=NC(N([H])C2=C([H])C([H])=C([H])C([H])=C2S(=O)(=O)C([H])(C([H])([H])[H])C([H])([H])[H])=C(Cl)C([H])=N1)C1=C([H])C([H])=C(C([H])=C1OC([H])([H])[H])N1C([H])([H])C([H])([H])C([H])(N2C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C2([H])[H])C([H])([H])C1([H])[H]	355
[H]N1N=C([H])C2=C1C([H])=C([H])C([H])=C2C1=NC(N2C([H])([H])C([H])([H])OC([H])([H])C2([H])[H])=C2SC(=C([H])C2=N1)C([H])([H])N1C([H])([H])C([H])([H])N(C([H])([H])C1([H])[H])S(=O)(=O)C([H])([H])[H]	5215
[H]OC1=C([H])C(=C([H])C([H])=C1[H])C1=NC2=C(N=C1C1=C([H])C([H])=C([H])C(O[H])=C1[H])C(=NC(=N2)N([H])[H])N([H])[H]	5345
[H]N([H])C1=C(C2=NC3=C(N2[H])C([H])=C([H])C(=C3[H])N2C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C2([H])[H])C(=O)N([H])C2=C([H])C([H])=C([H])C(F)=C12	380
[H]N(C1=C([H])C([H])=C2OC(C(=O)N([H])C2=N1)(C([H])([H])[H])C([H])([H])[H])C1=C(F)C([H])=NC(=N1)N([H])C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C1[H]	5010.5
[H]N(\C(=C1/C(=O)N([H])C2=C1C([H])=C([H])C([H])=C2[H])C1=C([H])C([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])N(C(=O)C([H])([H])N1C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H])C([H])([H])[H]	1252.4
[H]N(C(=O)C1=NC(C#N)=C([H])N1[H])C1=C(C([H])=C(C([H])=C1[H])C1([H])C([H])([H])C([H])([H])N(C(=O)C([H])([H])N(C([H])([H])[H])C([H])([H])[H])C([H])([H])C1([H])[H])C1=C([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	170
[H]N1N=C(\C([H])=C(/[H])C2=C([H])C([H])=C(C([H])=C2[H])C(=O)N2C([H])([H])C([H])([H])N([H])C([H])([H])C2([H])[H])C2=C1C([H])=C([H])C([H])=C2[H]	695
[H]N([H])C(=O)C1=C2SC(=C([H])C2=C(N=C1[H])N([H])[H])C1=C([H])C([H])=C(C([H])=C1[H])N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H]	393.5
[H]N([H])C1=C2C([H])=C(SC2=C(C([H])=N1)C(=O)N([H])C([H])([H])[H])C1=C([H])C([H])=C(C([H])=C1[H])N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H]	1010.5
[H]N([H])C1=C2C([H])=C(SC2=C(C([H])=N1)C(=O)N([H])C([H])([H])C([H])([H])[H])C1=C([H])C([H])=C(C([H])=C1[H])N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H]	133
[H]N([H])C1=C2C([H])=C(SC2=C(C([H])=N1)C(=O)N([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H]	406
[H]N([H])C1=C2C([H])=C(SC2=C(C([H])=N1)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])N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H]	307
[H]N([H])C1=C2C([H])=C(SC2=C(C([H])=N1)C(=O)N([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C1=C([H])C([H])=C(C([H])=C1[H])N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H]	8820
[H]N([H])C1=C2C([H])=C(SC2=C(C([H])=N1)C(=O)N(C([H])([H])[H])C([H])([H])[H])C1=C([H])C([H])=C(C([H])=C1[H])N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H]	3100
[H]N([H])C1=C2C([H])=C(SC2=C(C([H])=N1)C(=O)N([H])C([H])([H])[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	290
[H]N([H])C1=C2C([H])=C(SC2=C(C([H])=N1)C(=O)N([H])C([H])([H])[H])C1=C([H])C([H])=C(C([H])=C1[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]	39
[H]N([H])C1=C2C([H])=C(SC2=C(C([H])=N1)C(=O)N([H])C([H])([H])[H])C1=C([H])C([H])=C(OC(F)(F)F)C([H])=C1[H]	3460
[H]N([H])C1=C2C([H])=C(SC2=C(C([H])=N1)C(=O)N([H])C([H])([H])[H])C1=C([H])C([H])=C(C([H])=C1[H])C(C#N)(C([H])([H])[H])C([H])([H])[H]	598
[H]N([H])C1=C2C([H])=C(SC2=C(C([H])=N1)C(=O)N([H])C([H])([H])[H])C1=C([H])C([H])=C(C([H])=C1[H])S(=O)(=O)N([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]	560
[H]OC([H])([H])C([H])([H])N([H])C(=O)C1=C2SC(=C([H])C2=C(N=C1[H])N([H])[H])C1=C([H])C([H])=C(C([H])=C1[H])S(=O)(=O)N([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]	78
[H]N([H])C1=C2C([H])=C(SC2=C(C([H])=N1)C(=O)N([H])C([H])([H])C([H])([H])OC([H])([H])[H])C1=C([H])C([H])=C(C([H])=C1[H])S(=O)(=O)N([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]	3369.5
[H]N([H])C1=C2C([H])=C(SC2=C(C([H])=N1)C(=O)N([H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])C1=C([H])C([H])=C(C([H])=C1[H])S(=O)(=O)N([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]	177
[H]N([H])C1=C2C([H])=C(SC2=C(C([H])=N1)C(=O)N([H])C([H])([H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])C1=C([H])C([H])=C(C([H])=C1[H])S(=O)(=O)N([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]	6403
[H]N(C1=NC2=C([H])N=C(N=C2N1C1([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H])N([H])C1=C([H])C([H])=C(C([H])=C1[H])N1C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	3300
[H]N(C1=NN2C([H])=C([H])C([H])=C(C2=N1)C1=C([H])C([H])=C(C([H])=C1[H])S(=O)(=O)C([H])([H])[H])C1=C([H])C([H])=C([H])C(=C1[H])N1C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H]	81
[H]N(C1=NN2C([H])=C([H])C([H])=C(C2=N1)C1=C([H])C([H])=C(C([H])=C1[H])S(=O)(=O)C([H])([H])[H])C1=C([H])C([H])=C([H])C(=C1[H])C1([H])C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H]	43
[H]N(C1=NN2C([H])=C([H])C([H])=C(C2=N1)C1=C([H])C([H])=C(C([H])=C1[H])S(=O)(=O)C([H])([H])[H])C1=C([H])C([H])=C(C([H])=C1[H])N1C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H]	22
[H]N1C2=NC([H])=C([H])C(=N2)C2=C([H])C([H])=C(O2)C([H])([H])OC([H])([H])\C([H])=C([H])\C([H])([H])N(C([H])([H])[H])C([H])([H])C2=C([H])C1=C([H])C([H])=C2[H]	1800
[H]N1C([H])=C([H])C2=C3N(C(=NC3=C([H])N=C12)C([H])([H])[H])C1([H])C([H])([H])C([H])([H])N(C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	18.15
[H]N1C([H])=C([H])C2=C3N(C(=NC3=C([H])N=C12)C([H])([H])[H])C1([H])C([H])([H])C([H])([H])N([H])C([H])([H])C1([H])[H]	130
[H]N1C2=NC([H])=C([H])C(=N2)C2=C([H])C3=C(C([H])=C([H])N3C([H])([H])C([H])([H])\C([H])=C([H])\C([H])([H])N(C([H])([H])[H])C([H])([H])C3=C([H])C1=C([H])C([H])=C3[H])C([H])=C2[H]	1000
[H]N1C2=NC([H])=C([H])C(=N2)C2=C([H])C3=C(C([H])=C([H])N3C([H])([H])\C([H])=C([H])\C([H])([H])OC([H])([H])C3=C([H])C1=C([H])C([H])=C3[H])C([H])=C2[H]	4800
[H]N1C2=NC([H])=C([H])C(=N2)C2=C([H])C(OC([H])([H])C([H])([H])\C([H])=C([H])\C([H])([H])N(C([H])([H])[H])C([H])([H])C3=C([H])C1=C([H])C([H])=C3[H])=NC([H])=C2[H]	170
[H]N1C2=NC([H])=C([H])C(=N2)C2=C([H])C([H])=C(O2)C([H])([H])OC([H])([H])\C([H])=C([H])\C([H])([H])OC([H])([H])C2=C([H])C1=C([H])C([H])=C2[H]	8000
[H]N1C2=NC([H])=C(C(=N2)C2=C([H])C3=C(C([H])=C([H])N3C([H])([H])\C([H])=C([H])\C([H])([H])OC([H])([H])C3=C([H])C1=C([H])C([H])=C3OC([H])([H])C([H])([H])N1C([H])([H])C([H])([H])C([H])([H])C1([H])[H])C([H])=C2[H])C([H])([H])[H]	5100
[H]N1C2=NC([H])=C([H])C(=N2)C2=C([H])C(OC([H])([H])C([H])([H])\C([H])=C([H])\C([H])([H])OC([H])([H])C3=C([H])C1=C([H])C([H])=C3OC([H])([H])C([H])([H])N1C([H])([H])C([H])([H])C([H])([H])C1([H])[H])=NC([H])=C2[H]	970
[H]N1C2=NC([H])=C(C(=N2)C2=C([H])C(OC([H])([H])C([H])([H])\C([H])=C([H])\C([H])([H])OC([H])([H])C3=C([H])C1=C([H])C([H])=C3OC([H])([H])C([H])([H])N1C([H])([H])C([H])([H])C([H])([H])C1([H])[H])=NC([H])=C2[H])C([H])([H])[H]	390
[H]N1C2=NC([H])=C([H])C(=N2)C2=C([H])C([H])=C(O2)C([H])([H])OC([H])([H])\C([H])=C([H])\C([H])([H])N(C([H])([H])[H])C([H])([H])C2=C([H])C1=C([H])C([H])=C2OC([H])([H])C([H])([H])N1C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	650
[H]N1C2=NC([H])=C([H])C(=N2)C2=C([H])C([H])=C(S2)C([H])([H])OC([H])([H])\C([H])=C([H])\C([H])([H])N(C([H])([H])[H])C([H])([H])C2=C([H])C1=C([H])C([H])=C2OC([H])([H])C([H])([H])N1C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	200
[H]N1C2=NC([H])=C([H])C(=N2)C2=C([H])C([H])=C(O2)C([H])([H])OC([H])([H])\C([H])=C([H])\C([H])([H])N(C([H])([H])[H])C([H])([H])C2=C([H])C1=C([H])C([H])=C2OC([H])([H])C([H])([H])OC([H])([H])[H]	3200
[H]N1C2=NC([H])=C([H])C(=N2)C2=C([H])C([H])=C(S2)C([H])([H])OC([H])([H])\C([H])=C([H])\C([H])([H])N(C([H])([H])[H])C([H])([H])C2=C([H])C1=C([H])C([H])=C2OC([H])([H])C([H])([H])OC([H])([H])[H]	390
[H]N1C2=NC([H])=C([H])C(=N2)C2=C([H])C([H])=C(S2)C([H])([H])OC([H])([H])\C([H])=C([H])\C([H])([H])OC([H])([H])C2=C([H])C1=C([H])C([H])=C2OC([H])([H])C([H])([H])N1C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	420
[H]N1C2=NC([H])=C([H])C(=N2)C2=C([H])SC(=C2[H])C([H])([H])OC([H])([H])\C([H])=C([H])\C([H])([H])OC([H])([H])C2=C([H])C1=C([H])C([H])=C2OC([H])([H])C([H])([H])N1C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	1500
[H]N1C2=NC([H])=C([H])C(=N2)C2=C([H])C([H])=C(O2)C([H])([H])OC([H])([H])\C([H])=C([H])\C([H])([H])OC([H])([H])C2=C([H])C1=C([H])C([H])=C2OC([H])([H])C([H])([H])N1C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	2700
[H]N1C2=NC([H])=C([H])C(=N2)C2=C([H])OC(=C2[H])C([H])([H])OC([H])([H])\C([H])=C([H])\C([H])([H])OC([H])([H])C2=C([H])C1=C([H])C([H])=C2OC([H])([H])C([H])([H])N1C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	3000
[H]N1C2=NC([H])=C([H])C(=N2)C2=C([H])C(=C([H])O2)C([H])([H])OC([H])([H])\C([H])=C([H])\C([H])([H])OC([H])([H])C2=C([H])C1=C([H])C([H])=C2OC([H])([H])C([H])([H])N1C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	1900
[H]O[C@]1([H])C([H])([H])C([H])([H])[C@]([H])(N2C(=NC3=C([H])N=C4N([H])C([H])=C([H])C4=C23)C([H])([H])[H])C1([H])[H]	95.05
[H]O[C@]1([H])C([H])([H])C([H])([H])C([H])([H])[C@]([H])(N2C(=NC3=C([H])N=C4N([H])C([H])=C([H])C4=C23)C([H])([H])[H])C1([H])[H]	82.275
[H]O[C@@]1([H])C([H])([H])C([H])([H])[C@@]([H])(N2C(=NC3=C([H])N=C4N([H])C([H])=C([H])C4=C23)C([H])([H])[H])C([H])([H])C1([H])[H]	133.125
[H]N(C(=O)OC([H])([H])[H])[C@@]1([H])C([H])([H])C([H])([H])[C@]([H])(N2C(=NC3=C([H])N=C4N([H])C([H])=C([H])C4=C23)C([H])([H])[H])C([H])([H])C1([H])[H]	141.3
[H]N(C(=O)C([H])([H])[H])[C@@]1([H])C([H])([H])C([H])([H])[C@]([H])(N2C(=NC3=C([H])N=C4N([H])C([H])=C([H])C4=C23)C([H])([H])[H])C([H])([H])C1([H])[H]	1803.05
[H]N([C@@]1([H])C([H])([H])C([H])([H])[C@]([H])(N2C(=NC3=C([H])N=C4N([H])C([H])=C([H])C4=C23)C([H])([H])[H])C([H])([H])C1([H])[H])S(=O)(=O)C([H])([H])[H]	447.25
[H]N(C([H])([H])C([H])([H])C#N)[C@@]1([H])C([H])([H])C([H])([H])[C@]([H])(N2C(=NC3=C([H])N=C4N([H])C([H])=C([H])C4=C23)C([H])([H])[H])C([H])([H])C1([H])[H]	55.75
[H]N1C([H])=C([H])C2=C3N(C(=NC3=C([H])N=C12)C([H])([H])[H])[C@]1([H])C([H])([H])C([H])([H])N([H])C([H])([H])C1(F)F	176
[H]N1C([H])=C([H])C2=C3N(C(=NC3=C([H])N=C12)C([H])([H])[H])[C@]1([H])C([H])([H])C([H])([H])N([H])C([H])([H])[C@]1([H])F	139.375
[H]N1C([H])=C([H])C2=C3N(C(=NC3=C([H])N=C12)C([H])([H])[H])[C@]1([H])C([H])([H])OC([H])([H])C([H])([H])C1([H])[H]	176.4
[H]N1C([H])=C([H])C2=C3N(C(=NC3=C([H])N=C12)C([H])([H])[H])C1([H])C([H])([H])C([H])([H])OC([H])([H])C1([H])[H]	504
[H]N1C([H])=C([H])C2=C3N(C(=NC3=C([H])N=C12)C([H])([H])[H])C1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	20
[H]N1C([H])=C([H])C2=C3N(C(=NC3=C([H])N=C12)C([H])([H])[H])C1([H])C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])C#N)C([H])([H])C1([H])[H]	13.45
[H]O[C@]1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@@]1([H])N1C(=NC2=C([H])N=C3N([H])C([H])=C([H])C3=C12)C([H])([H])[H]	90
[H]N1C([H])=C([H])C2=C3N(C(=NC3=C([H])N=C12)C([H])([H])[H])[C@]1([H])C([H])([H])N([H])C([H])([H])C([H])([H])C1([H])[H]	150
[H]N([H])C(=O)C1=C(N=C(N=C1[H])N([H])[C@]1([H])C([H])([H])C([H])([H])OC([H])([H])[C@]1([H])N([H])[H])N([H])C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[H]	1584.89
[H]N([H])C(=O)C1=C(N=C(N=C1[H])N([H])C1=C([H])C([H])=C(C([H])=C1[H])N1C([H])([H])C([H])([H])N(C(=O)C([H])([H])OC([H])([H])[H])C([H])([H])C1([H])[H])N([H])C1([H])C([H])([H])C1([H])[H]	6.7
[H]N([H])C(=O)C1=C(N=C(N=C1[H])N([H])C1=C([H])C([H])=C(C([H])=C1[H])N1C([H])([H])C([H])([H])C([H])([H])[C@]([H])(C(=O)N([H])C([H])([H])[H])C1([H])[H])N([H])C1([H])C([H])([H])C1([H])[H]	11
[H]N([H])C(=O)C1=C([H])N=C(N=C1N([H])C1([H])C([H])([H])C1([H])[H])N([H])C1=C([H])C([H])=C(C([H])=C1[H])N1C([H])([H])C([H])([H])N(C([H])([H])C1([H])[H])S(=O)(=O)C([H])([H])[H]	5.7
[H]N([H])C(=O)C1=C(N=C(N=C1[H])N([H])C1=C([H])C([H])=C(C([H])=C1[H])N1C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C(=O)N([H])[H])C1([H])[H])N([H])C1([H])C([H])([H])C1([H])[H]	14
C1CCC(CC1)C1=NC=C2C=NC3=C(C=CN3)N12	190
C1CCC(CC1)C1=CN=C2C=NC3=C(C=CN3)N12	77
C1CCC(CC1)C1=NN=C2C=NC3=C(C=CN3)N12	190
FC(F)(F)C1=NC2=CN=C3NC=CC3=C2N1C1CCCCC1	505
C1CCC(CC1)N1C=NC2=CN=C3NC=CC3=C12	120
C1CCC(CC1)C1=NOC2=CN=C3NC=CC3=C12	225
CN1N=C(C2CCCCC2)C2=C3C=CNC3=NC=C12	645
C1CCC(CC1)C1=NNC2=CN=C3NC=CC3=C12	86.5
C1CCC(CC1)C1=CC=C2C=NC3=C(C=CN3)N12	20
O=C(N[C@H](C1CC1)C(=O)N1CC[C@@H](C1)C#N)C1=CNC2=NC=C(N=C12)C1CC1	0.53
CC(C)(C)[C@@H](NC(=O)C1=CNC2=NC=C(N=C12)C1CC1)C(=O)N1CC(C1)C#N	7.6
C[C@@H](NC(=O)C1=CNC2=NC=C(N=C12)C1CC1)C(=O)N1CC(C1)C#N	47
C[C@@H](NC(=O)C1=CNC2=NC=C(N=C12)C1CC1)C(=O)N1CCC(C)C1	351.5
C[C@@H](NC(=O)C1=CNC2=NC=C(N=C12)C1CC1)C(=O)N1CCC(C1)C#N	45
C[C@@H](NC(=O)C1=CNC2=NC=C(N=C12)C1CC1)C(=O)N1CCC1	871
C[C@@H](NC(=O)C1=CNC2=NC=C(N=C12)C1CC1)C(=O)N1CCCCC1	361
C[C@@H](NC(=O)C1=CNC2=NC=C(N=C12)C1CC1)C(=O)N(C)C	637
C[C@H](NC(=O)C1=CNC2=NC=C(N=C12)C1CC1)C1CCCCC1	1103
C[C@H](NC(=O)C1=CNC2=NC=C(N=C12)C1CC1)C(C)(C)C#N	108
C[C@@H](NC(=O)C1=CNC2=NC=C(N=C12)C1CC1)C(C)(C)O	178.5
C[C@H](NC(=O)C1=CNC2=NC=C(N=C12)C1CC1)C(C)(C)C	45
CC(NC(=O)C1=CNC2=NC=C(N=C12)C1CC1)C1CC1	24
CC(C)NC(=O)C1=CNC2=NC=C(N=C12)C1CC1	224