smile	binding.affinity
[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])C1=NC2=C([H])C(N([H])C(=O)C3=C(Cl)C([H])=C([H])C([H])=C3[H])=C([H])C([H])=C2N1[H]	440
[H]N(C(=O)C1=C([H])C([H])=C([H])C([H])=C1F)C1=C([H])C([H])=C(C([H])=C1[H])C1=NC2=C([H])C(N([H])C(=O)C3=C(Cl)C([H])=C([H])C([H])=C3[H])=C([H])C([H])=C2N1[H]	220
[H]N(C(=O)C1=C([H])C([H])=C([H])C([H])=C1Cl)C1=C([H])C([H])=C(C([H])=C1[H])C1=NC2=C(N1[H])C([H])=C([H])C(N([H])C(=O)C1([H])C([H])([H])C1([H])[H])=C2[H]	88
[H]N(C(=O)C1=C([H])C([H])=C([H])C([H])=C1Cl)C1=C([H])C([H])=C(C([H])=C1[H])C1=NC2=C([H])C(N([H])C(=O)C3([H])C([H])([H])C([H])([H])C([H])([H])C3([H])[H])=C([H])C([H])=C2N1[H]	2240
[H]N(C(=O)C1=C([H])C([H])=C([H])C([H])=C1Cl)C1=C([H])C([H])=C(C([H])=C1[H])C1=NC2=C([H])C(N([H])C(=O)C3(C([H])([H])[H])C([H])([H])C3([H])[H])=C([H])C([H])=C2N1[H]	2700
[H]N(C(=O)C1=C([H])C([H])=C([H])C([H])=C1C([H])([H])[H])C1=C([H])C([H])=C(C([H])=C1[H])C1=NC2=C([H])C(N([H])C(=O)C3=C(Cl)C([H])=C([H])C([H])=C3[H])=C([H])C([H])=C2N1[H]	295
[H]N(C(=O)C1=C([H])C([H])=C([H])C([H])=C1Cl)C1=C([H])C(=C([H])C([H])=C1[H])C1=NC2=C([H])C(N([H])C(=O)C3=C([H])C([H])=C([H])C([H])=C3Cl)=C([H])C([H])=C2N1[H]	7050
[H]N(C(=O)C1=C([H])C([H])=C([H])C([H])=C1Cl)C1=C([H])C([H])=C(C([H])=C1[H])C1=NC2=C([H])C(N([H])C(=O)C3([H])C([H])([H])C([H])([H])C3([H])[H])=C([H])C([H])=C2N1[H]	1157
[H]N(C(=O)C1=C([H])C([H])=C([H])C([H])=C1Cl)C1=C([H])C([H])=C(C([H])=C1[H])C1=NC2=C([H])C(N([H])C(=O)[C@]3([H])C([H])([H])C3(F)F)=C([H])C([H])=C2N1[H]	1410
[H]N(C(=O)C1=C([H])C([H])=C([H])C([H])=C1Cl)C1=C([H])C([H])=C(C([H])=C1[H])C1=NC2=C([H])C(N([H])C(=O)C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])=C([H])C([H])=C2N1[H]	4440
[H]N(C(=O)C1=C([H])C([H])=C([H])C([H])=C1Cl)C1=C([H])C([H])=C(C([H])=C1[H])C1=NC2=C(N1[H])C([H])=C([H])C(N([H])C(=O)C([H])(C([H])([H])[H])C([H])([H])[H])=C2[H]	231.5
[H]N(C(=O)C1=C(Cl)N=C([H])C([H])=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])C1=NC2=C([H])C(N([H])C(=O)C3=C([H])C([H])=C([H])C([H])=C3Cl)=C([H])C([H])=C2N1[H]	3500
[H]N1C2=C(OC3=C([H])C([H])=C([H])C([H])=C23)C(=O)N(C1=S)C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H]	2320
[H]N1C2=C(OC3=C([H])C([H])=C([H])C([H])=C23)C(=O)N(C1=S)C1=C([H])C(=C(C([H])=C1[H])C([H])([H])[H])C([H])([H])[H]	4111
[H]N1C2=C(OC3=C([H])C([H])=C([H])C([H])=C23)C(=O)N(C1=S)C1=C([H])C([H])=C([H])C([H])=C1[H]	3055
[H]N1C2=C(OC3=C([H])C([H])=C([H])C([H])=C23)C(=O)N(C1=S)C1=C([H])C([H])=C([H])C(=C1[H])C([H])([H])[H]	5106
[H]C1=C([H])C([H])=C(C([H])=C1[H])C1=C2C(N3C([H])=C([H])C([H])=C([H])C3=C1C([H])([H])[H])=C(Cl)C(C(=O)OC([H])([H])[H])=C2C(=O)OC([H])([H])[H]	303.35
[H]N(C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@@]1([H])N([H])C(=O)N([H])[C@]1([H])C([H])([H])[H])C1=C(C([H])=C([H])C([H])=C1C([H])([H])[H])C([H])([H])[H]	3852
[H]C1=NC([H])=C(C([H])=C1[H])C1=NC2=C(C([H])=C(Br)C([H])=C2[H])C(=C1[H])C([O-])=O	1636
[H]N1C2=C(OC3=C([H])C([H])=C([H])C([H])=C23)C(=O)N(C1=S)C1=C([H])C([H])=C(F)C([H])=C1[H]	2092
[H]N(C(=O)C1=C(N([H])C(=S)C(C#N)=C1C1=C([H])C([H])=C(OC([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])=C1[H])C([H])([H])[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	330.11
[H]N1C2=C(SC3=C2C2=C(C(=N3)C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C2([H])[H])C(=O)N([H])C1=S	1903
[H]N(C(=S)N([H])C1=C([H])C(OC([H])([H])[H])=C([H])C([H])=C1[H])C1=C([H])C(=C([H])C(=N1)C([H])([H])[H])C([H])([H])[H]	2039
[H]N(\C([H])=C1/N(C(=O)C([H])([H])[H])C2=C([H])C([H])=C([H])C([H])=C2C1=O)C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H]	177.89
[H]OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@@]1([H])N([H])C(=O)N([H])[C@@]1([H])C([H])([H])[H]	149.12
[H]N1C(=S)N([H])C2=C(C1=O)[C@](C([H])([H])[H])(C([H])([H])C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C21	5775
[H]N1C(=S)N([H])C2=C(C1=O)C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C21	1476
[H]OC(=O)C1=C(N=C2C([H])=C([H])C(Br)=C([H])C2=C1C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])[H]	1001
[H]N(C1=NC([H])=NC2=C1C([H])=C([H])C(Cl)=C2[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1C([H])([H])[H]	3837
[H]N([H])C1=C(C#N)C(=C(C#N)C(N1[H])=C(C#N)C#N)C1=C([H])C([H])=C([H])C([H])=C1[H]	8407
[H]N([H])C1=C2C(=NC([H])=N1)N=C(C([H])=C2C1=C([H])C([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H]	220.17
[H]OC1=C(C(=O)C2=C([H])C([H])=C(O2)C([H])([H])[H])[C@@]([H])(N(C1=O)C([H])([H])C1=C([H])N=C([H])C([H])=C1[H])C1=C([H])C(OC2=C([H])C([H])=C([H])C([H])=C2[H])=C([H])C([H])=C1[H]	5733
[H]C1=NC2=C(C([H])=C(Br)C([H])=C2Br)C(=N1)N1C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	1421
[H]OC(=O)C1=C(C2=C(N1[H])C([H])=C([H])C(Br)=C2[H])C([H])([H])C([H])([H])[H]	6407
[H]O[C@@]12N([H])C(=O)N([H])[C@]1([H])C([H])([H])S[C@]2([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)OC([H])([H])[H]	264.24
[H]N(C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@@]1([H])N([H])C(=O)N([H])[C@]1([H])C([H])([H])[H])C([H])([H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]	1056
[H]N1C(=S)C(C#N)=C(C2=C([H])C([H])=C(O2)C([H])([H])[H])C2=C1C([H])([H])C([H])([H])C([H])([H])C2([H])[H]	1090
[H]N1C2=C(OC3=C2C([H])=C(Cl)C([H])=C3[H])C(=O)N(C1=S)C([H])([H])C(=O)OC([H])([H])C([H])([H])[H]	1492
[H]C1=C(C(=O)OC([H])([H])[H])C(C(=O)OC([H])([H])[H])=C2N3C([H])=C([H])C([H])=C([H])C3=C(C(=C12)C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])[H]	1476
[H]C1=C2N3C([H])=C([H])C([H])=C([H])C3=C(C(=C2C(C(=O)OC([H])([H])[H])=C1C(=O)OC([H])([H])[H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])[H]	185.5
[H]N([H])C1=C2C(=NC([H])=N1)N=C(C([H])=C2C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[H])C1=C([H])C([H])=C(F)C([H])=C1[H]	177.87
[H]OC(=O)C1=C2C([H])=C(C([H])=C(Br)C2=NC2=C1C([H])([H])C([H])([H])C([H])([H])C([H])([H])C2([H])[H])C([H])([H])[H]	1378
[H]N1C2=C(OC3=C([H])C([H])=C([H])C([H])=C23)C(=O)N(C1=S)C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[H]	4746
[H]C1=C([H])C([H])=C2C(=C1[H])N(C(=O)C([H])([H])SC1=NN=C3N1C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C31)C([H])([H])C2([H])[H]	4423
[H]N(C(=O)C1=C(C2=C([H])C([H])=C([H])C([H])=C2O1)C([H])([H])[H])C1=C([H])C([H])=C(C([H])=C1[H])N1N=NN=C1[H]	8458
[H]N(C(=O)C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C1=C([H])C2=C(OC(=N2)C2=C([H])C([H])=NC([H])=C2[H])C([H])=C1[H]	6312
[H]N(C(=O)C([H])([H])N1N=C([H])C2=C(N(C3=C2SC(=C3[H])C([H])([H])[H])C([H])([H])[H])C1=O)C([H])([H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]	2520
[H]C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C1=NN2C([H])=NC3=C(C2=N1)C(=C(O3)C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H])C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H]	7691
[H]N(C(=O)C([H])([H])SC1=NN=C(N1C1=C([H])C([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C([H])S1)C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H]	2093
[H]N(C(=O)C([H])([H])SC1=NN=C(N1C1=C([H])C([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C([H])S1)C1=C([H])C([H])=C([H])C([H])=C1[H]	5517
[H]N(C(=O)C1=C(N2C([H])=C(N=C2S1)C1=C([H])C([H])=C(F)C([H])=C1[H])C([H])([H])[H])C1=C([H])C([H])=C([H])C(=N1)C([H])([H])[H]	1173
[H]N(C(=O)C1=C([H])C([H])=C([H])O1)C1=NC2=C(S1)C1=C(N=C(S1)C([H])([H])[H])C([H])=C2[H]	4280
[H]N1C(=S)N(C(=O)C2=C([H])C3=C(OC([H])([H])O3)C([H])=C12)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)N1C([H])([H])C([H])([H])N(C(=O)C2=C([H])C([H])=C([H])O2)C([H])([H])C1([H])[H]	3677
[H]N(C(=O)C1([H])C([H])([H])C([H])([H])N(C([H])([H])C1([H])[H])S(=O)(=O)C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])N(C1=C([H])C([H])=C([H])C(=C1[H])C([H])([H])[H])C([H])([H])C([H])([H])[H]	4428
[H]N(C(=O)C1=C([H])C2=C(OC([H])([H])C([H])([H])O2)C([H])=C1[H])C1=NC2=C(S1)C1=C(N=C(S1)C([H])([H])[H])C([H])=C2[H]	812.55
[H]N(C(=O)C([H])([H])C1=C([H])C([H])=C(Cl)C([H])=C1[H])C1=C([H])C2=C(OC(=N2)C2=C([H])C([H])=NC([H])=C2[H])C([H])=C1[H]	4294
[H]N(C(=O)C([H])([H])SC1=NN=C(N1C([H])([H])[H])C1=C([H])C2=C([H])C([H])=C([H])C([H])=C2O1)C1=C([H])C(F)=C([H])C([H])=C1[H]	2605
[H]N(C(=O)C1=C([H])C2=C(OC([H])([H])O2)C([H])=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])C1=NC2=C(O1)C([H])=C([H])C(=C2[H])C([H])([H])[H]	2875
[H]N(C(=O)C1=C([H])C([H])=C([H])O1)C1=NC(=C([H])S1)C1=NC2=C([H])C([H])=C([H])C([H])=C2S1	2438
[H]N1C([H])=C2SC(=O)N=C2N([H])C2=C([H])C([H])=C([H])C([H])=C12	3136
[H]N([H])C(=O)C1([H])C([H])([H])C([H])([H])N(C(=O)C([H])([H])N(C2=C([H])C([H])=C(OC3=C([H])C([H])=C([H])C([H])=C3[H])C([H])=C2[H])S(=O)(=O)C([H])([H])[H])C([H])([H])C1([H])[H]	1055
[H]N(C(=O)C1=C([H])C([H])=C([H])S1)C1=C([H])C([H])=C(C([H])=C1[H])C1=NC2=C(N1[H])C([H])=C(N([H])C(=O)C1=C([H])C([H])=C([H])S1)C([H])=C2[H]	9358
[H]N(C1=NC2=C([H])C([H])=C([H])C([H])=C2N2C([H])=NN=C12)C([H])([H])C1=C([H])C([H])=C(F)C([H])=C1[H]	2695
[H]N(C(=O)C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H])C1=NC2=C(S1)C1=C(N=C(S1)C([H])([H])[H])C([H])=C2[H]	861.97
[H]N(C(=O)C1=C([H])C([H])=C(C([H])=C1[H])C1=NN(C(=O)C2=C([H])C([H])=C([H])C([H])=C12)C([H])([H])[H])C1=C([H])C(Cl)=C([H])C([H])=C1[H]	3946
[H]N(C(=O)C([H])([H])SC1=NC2=C([H])C([H])=C([H])C([H])=C2C2=NC(=NN12)C([H])([H])C([H])([H])C1=C(N([H])N=C1C([H])([H])[H])C([H])([H])[H])C1=C([H])C(F)=C(C([H])=C1[H])C([H])([H])[H]	473.9
[H]N(C(=O)C([H])([H])OC1=C([H])C2=C([H])C([H])=C([H])C([H])=C2C([H])=C1[H])C([H])([H])C([H])([H])N([H])C(=O)C([H])([H])OC1=C([H])C2=C([H])C([H])=C([H])C([H])=C2C([H])=C1[H]	4745
[H]N(C(=O)C([H])([H])SC1=NN=C(N1C([H])([H])[H])C1=C([H])C2=C([H])C([H])=C([H])C([H])=C2O1)C1=C([H])C(Br)=C([H])C([H])=C1[H]	167.27
[H]N(C(=O)C1=C([H])C([H])=C(Br)S1)C1=NC2=C(OC([H])([H])[H])C([H])=C([H])C([H])=C2S1	3406
[H]N(C(=O)C([H])([H])OC1=C([H])C2=C(C([H])=C1[H])C(=C([H])C(=O)O2)C([H])([H])[H])C1=NC(=C([H])S1)C([H])([H])[H]	7062
[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([H])=C(C([H])=C1[H])C1=NC2=C([H])C([H])=C([H])C([H])=C2S1	5826
[H]C1=C([H])C([H])=C(C([H])=C1[H])N1N=C([H])C(OC([H])([H])[H])=C(SC([H])([H])C2=C([H])C(Cl)=C(Cl)C([H])=C2[H])C1=O	4996
[H]N(C(=O)C([H])([H])SC1=NC(=NC2=C([H])C([H])=C([H])C([H])=C12)C1=C([H])C([H])=C([H])C([H])=C1[H])C1=NC([H])=C([H])S1	5932
[H]N(C(=O)C1=C([H])C([H])=C(Cl)C([H])=C1[H])C1=NC(=NC([H])=C1[H])C1=C([H])N=C([H])C([H])=C1[H]	5233
[H]C1=C([H])C([H])=C(C([H])=C1[H])C1=NN=C(SC([H])([H])C(=O)C2=C([H])C3=C(C([H])=C2[H])C2=C([H])C([H])=C([H])C([H])=C2C3([H])[H])N1C([H])([H])[H]	3820
[H]N1C2=C([H])C([H])=C([H])C([H])=C2C(=O)N(C2=C([H])C([H])=C(OC([H])([H])[H])C([H])=C2[H])[C@@]1([H])C1=C([H])C(=C(OC([H])([H])[H])C([H])=C1[H])C([H])([H])SC1=C([H])C([H])=C([H])C([H])=N1	5922
[H]N(C(=O)C([H])([H])OC1=C([H])C2=C(C([H])=C1[H])C(=C([H])C(=O)O2)C([H])([H])[H])C1=C(OC([H])([H])[H])C([H])=C([H])C(=C1[H])S(=O)(=O)N(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H]	2351
[H]N(C(=O)C1=C([H])C([H])=C([H])C(=C1[H])C1=C([H])C2=C([H])C([H])=C([H])C([H])=C2OC1=O)C1=C([H])C([H])=C([H])C(C2=NC3=C(O2)C([H])=C([H])C([H])=N3)=C1C([H])([H])[H]	2331
[H]C([H])=C([H])C([H])([H])N1C(SC([H])([H])C(=O)N([H])C2=C([H])C([H])=C(C([H])=C2[H])C2=NC3=C(S2)C([H])=C(C([H])=C3[H])C([H])([H])[H])=NN=C1C1=C([H])C([H])=C([H])C([H])=C1[H]	774.16
[H]N(C(=O)C1=C([H])C(=NC2=C1C([H])=C(Br)C([H])=C2[H])C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[H])C([H])([H])C1=C([H])N(N=C1[H])C([H])([H])[H]	2992
[H]N(C(=O)C([H])([H])SC1=NN=C(C([H])=C1[H])C1=C([H])C2=C(OC([H])([H])O2)C([H])=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])C(=O)C([H])([H])[H]	3533
[H]C1=C([H])C([H])=C(S1)C1=NN=C(SC([H])([H])C(=O)N2C([H])([H])C([H])([H])C([H])([H])C([H])([H])C2([H])[H])C([H])=C1[H]	2636
[H]C1=C([H])C([H])=C(S1)C1=NN=C(SC([H])([H])C(=O)N2C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C2([H])[H])C([H])=C1[H]	4733
[H]N([H])S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])N([H])C(=O)C1=C(C2=C(C([H])=C(C([H])=C2O1)C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]	4062
[H]N(C(=O)C1=C([H])C2=C(N=C([H])S2)C([H])=C1[H])C1=NN=C(SC([H])([H])C2=C([H])C([H])=C(C#N)C([H])=C2[H])S1	3907
[H]N(C(=O)C([H])([H])C([H])([H])C([H])([H])OC1=C([H])C([H])=C(Cl)C([H])=C1[H])C1=NC(=C(S1)C(=O)C([H])([H])[H])C([H])([H])[H]	4490
[H]N(C(=O)C1=C([H])C2=C(OC([H])([H])C([H])([H])O2)C([H])=C1[H])C1=C([H])C2=C(OC(=N2)C2=C([H])N=C([H])C([H])=C2[H])C([H])=C1[H]	1613
[H]N([H])S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])N([H])C(=O)C1=C([H])C(=NC2=C1C([H])=C(Cl)C([H])=C2[H])C1=C([H])C([H])=C([H])C([H])=N1	4428
[H]N(C(=O)C1=C([H])N=C(Cl)C([H])=C1[H])C1=C([H])C([H])=C([H])C(=C1[H])C1=NC2=C(S1)N=C([H])C([H])=C2[H]	3372
[H]OC1=C([H])C(=O)\C(C([H])=C1C([H])([H])C([H])([H])[H])=C1/N([H])N([H])C(C(=O)OC([H])([H])C([H])([H])[H])=C1C1=C([H])SC([H])=N1	2861
[H]N(C(=O)C1=C([H])C([H])=C(Br)O1)C1=C([H])C([H])=C(C([H])=C1[H])C1=NN2C([H])=NN=C2C([H])=C1[H]	3619
[H]C1=C([H])C([H])=C(S1)C(=O)C([H])([H])SC1=NN=C(C([H])=C1[H])C1=C([H])C([H])=C([H])S1	8966
[H]N(C(=O)C([H])([H])SC1=NN=C(C([H])=C1[H])C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C1[H])C1=NC([H])=C([H])S1	7043
[H]N(C(=O)C1=C([H])C([H])=C([H])N1C1=C(Cl)C([H])=C(C([H])=N1)C(F)(F)F)C([H])([H])C1=C([H])C([H])=C([H])C([H])=N1	9978
[H]N(C(=O)C1=C(C2=C(S1)N=C([H])N(C2=O)C([H])([H])C([H])([H])[H])C([H])([H])[H])C1=C([H])C([H])=C([H])C([H])=C1OC([H])([H])[H]	7114
[H]N(C(=O)C1=C([H])C2=C(SC([H])([H])C([H])([H])N2C([H])([H])[H])C([H])=C1[H])C1=C([H])C([H])=C(Cl)C([H])=C1[H]	9213
[H]N(C(=O)C1=C([H])C([H])=C([H])N1C([H])([H])[H])C(=O)C([H])([H])SC1=NC([H])=NC2=C1C(=C(S2)C([H])([H])[H])C([H])([H])[H]	3968
[H]N(C(=O)C([H])([H])OC1=C([H])C([H])=C([H])C2=C([H])C([H])=C([H])C([H])=C12)C1=C(C#N)C2=C(S1)C(N([H])C(C([H])([H])[H])(C([H])([H])[H])C2([H])[H])(C([H])([H])[H])C([H])([H])[H]	8837
[H]N(C(=O)C([H])([H])[H])C1=C([H])C([H])=C(C([H])=C1[H])C(=O)C([H])([H])SC1=NN=C2SC([H])=C(N12)C1=C([H])C(OC([H])([H])[H])=C([H])C([H])=C1[H]	4896
[H]N(C(=O)C1=C([H])C([H])=C(Br)O1)C1=C([H])C([H])=C(C([H])=C1[H])C1=NC2=C(O1)C([H])=C([H])C([H])=N2	3496
[H]N(C(=O)C1=C([H])C([H])=C(S1)C1=C([H])C([H])=C([H])C([H])=N1)C1=C([H])C([H])=C(Cl)C([H])=C1[H]	8836
[H]C1=C([H])C(=C([H])C2=C1OC(=O)C([H])=C2C([H])([H])N1C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H])C([H])([H])[H]	7542
[H]N(C(=O)C([H])([H])C([H])([H])S(=O)(=O)C1=C([H])C([H])=C(Br)C([H])=C1[H])C1=C([H])C([H])=C(OC([H])([H])C([H])([H])[H])C([H])=C1[H]	8866
[H]N(C(=O)C1=C([H])C(=NC2=C([H])C([H])=C([H])C([H])=C12)C1=C([H])C([H])=C(Br)S1)C([H])([H])C([H])([H])C([H])([H])OC([H])([H])C([H])([H])[H]	6666
[H]N(C(=O)C([H])([H])N1C(=O)N([H])[C@@]2(C1=O)C1=C([H])C([H])=C([H])C([H])=C1C([H])([H])C([H])([H])C2([H])[H])C([H])([H])C(F)(F)F	8547
[H]C1=NC(=C([H])C([H])=C1[H])C1=NC2=C([H])C([H])=C([H])C([H])=C2C(OC2=C([H])C([H])=C(OC([H])([H])[H])C([H])=C2[H])=N1	5997
[H]N(C(=O)C1=NN(C(=O)C2=C([H])C([H])=C([H])C([H])=C12)C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C1[H])C([H])([H])C(=O)N([H])C([H])([H])C1=C([H])C([H])=C(F)C([H])=C1[H]	1457
[H]N(C(=O)C1([H])C([H])([H])C([H])([H])N(C2=NN=C(C3=C(N(N=C23)C2=C([H])C([H])=C(OC([H])([H])[H])C([H])=C2[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C1([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1C([H])([H])[H]	2011
[H]N(C(=O)C1=C([H])C([H])=C([H])S1)C1=C([H])N=C(N([H])C(=O)C2=C([H])C([H])=C(OC([H])([H])[H])C([H])=C2[H])C([H])=C1[H]	7176
[H]N(C(=O)C([H])([H])SC1=NC(=NC2=C([H])C([H])=C([H])C([H])=C12)C1([H])C([H])([H])C1([H])[H])C1=C([H])C(OC([H])([H])[H])=C([H])C(OC([H])([H])[H])=C1[H]	5353
[H]N(C(=O)C1=C([H])C(=C([H])N1[H])S(=O)(=O)N1C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H])C1=C([H])C(SC([H])([H])[H])=C([H])C([H])=C1[H]	3448
[H]N(C(=O)C([H])([H])N1N=C(C([H])=C([H])C1=O)C1=C([H])C([H])=C([H])S1)C1=C(C(=C(Br)C([H])=C1[H])C([H])([H])[H])C([H])([H])[H]	7419
[H]N(C(=O)C1=C([H])C2=C([H])C([H])=C([H])C([H])=C2C([H])=C1OC([H])([H])[H])C1=C([H])C2=C(OC(=O)C([H])=C2[H])C([H])=C1[H]	2280
[H]N(C(=O)C([H])([H])SC1=NN=C(N1C([H])([H])[H])C([H])([H])OC1=C([H])C([H])=C([H])C(=C1[H])C([H])([H])[H])C1([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	6656
[H]N(C(=O)C1=C([H])C2=C([H])C([H])=C([H])C([H])=C2O1)C1=C([H])C(=C([H])C([H])=C1[H])N1N=NN=C1[H]	6553
[H]N(C(=O)C1=C([H])C(=NC2=C1C([H])=C([H])C([H])=C2Cl)C1=C([H])C([H])=C([H])C([H])=N1)C1=NC([H])=C([H])S1	3868
[H]N(C(=O)C([H])([H])OC1=C([H])C2=C(C([H])=C1[H])C(=C([H])C(=O)O2)C([H])([H])[H])C([H])([H])C([H])([H])C1=C([H])N([H])C2=C1C([H])=C(F)C([H])=C2[H]	6107
[H]N(C(=O)N([H])S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[H])C1=C([H])C([H])=C(C([H])=C1[H])N(C([H])([H])[H])C([H])([H])[H]	748.25
[H]N(C(=O)C1=C([H])C([H])=C(Br)O1)C1=C([H])C([H])=C(C([H])=C1[H])C1=NN=C(C([H])=C1[H])N1C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	6809
[H]N(C(=O)C1=C([H])C([H])=C(Br)O1)C1=C([H])C([H])=C(C([H])=C1[H])C1=NN=C(OC([H])([H])[H])C([H])=C1[H]	3383
[H]N(C(=O)C([H])([H])OC1=C(Cl)C([H])=C(Cl)C([H])=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])C1=NN=C(C([H])=C1[H])N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H]	1426
[H]N(C(=O)C1=C([H])C([H])=C(O1)C1=C([H])C([H])=C(C([H])=C1[H])C(=O)C([H])([H])[H])C1=NC(=C(S1)C(=O)C([H])([H])[H])C([H])([H])[H]	8010
[H]N1C2=C(C([H])=C(C([H])=C2[H])C([H])([H])[H])C(=C1C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H])C([H])([H])N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H]	6088
[H]N(C(=O)C([H])([H])N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C(OC([H])([H])[H])C([H])=C2[H])C([H])([H])C1([H])[H])C1=C([H])C([H])=C([H])C([H])=C1C(=O)N([H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]	3667
[H]N([H])C(=O)C1=C([H])C([H])=C(N([H])C(=O)C([H])([H])N([H])C(=O)C2=C(Cl)C3=C([H])C([H])=C([H])C([H])=C3S2)C([H])=C1[H]	4849
[H]N(C(=O)C([H])([H])C#N)C1=C([H])C([H])=C(C([H])=C1[H])C(=O)OC([H])([H])C(=O)C1=C([H])C2=C(OC([H])([H])C(=O)N2[H])C([H])=C1[H]	4460