smile	binding.affinity
[H]N(C1=NC(=NC2=C([H])C([H])=C([H])C([H])=C12)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])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H]	20
[H]C1=C([H])C([H])=C2C(OC([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H])=NC(=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]	2400
[H]N(C1=NC(=NC2=C([H])C([H])=C([H])C([H])=C12)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])C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H]	30
[H]N(C1=NC(=NC2=C([H])C([H])=C([H])C([H])=C12)C1=C([H])C([H])=C(C([H])=C1[H])C1=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]	5200
[H]OC1=C(OC([H])([H])[H])C([H])=C(\C([H])=C(/[H])C(=O)C([H])([H])C(=O)C(\[H])=C(/[H])C2=C([H])C(OC([H])([H])[H])=C(O[H])C([H])=C2[H])C([H])=C1[H]	8362
[H]N([H])C1=C([H])C2=C(C([H])=C1[H])C(=C([H])C(=O)O2)C(F)(F)F	8421
[H]N([H])C1=C(SC2=C1C(=C([H])C(=N2)C1=C([H])C([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C([H])O1)C#N	8358
[H]C1=C([H])C([H])=C2C(=O)N(SC2=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])C(=O)OC([H])([H])C([H])([H])N(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H]	7227
[H]\C(C(=O)C1=NC(=NC([H])=C1Cl)S(=O)(=O)C([H])([H])[H])=C1/N(C2=C([H])C([H])=C([H])C([H])=C2C1(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]	5915
[H]C1=C([H])C([H])=C(C([H])=C1[H])C1=C([H])C(=NC(=N1)S(=O)(=O)C([H])([H])[H])C(F)(F)F	9605
[H]C1=C([H])C(=C([H])C([H])=C1F)C1=C([H])C(=NC(=N1)S(=O)(=O)C([H])([H])C(=O)OC([H])([H])C([H])([H])[H])C(F)(F)F	8907
[H]N(C1=C(N=C2C([H])=NC([H])=C([H])N12)C1=C([H])C([H])=C(C([H])=C1[H])N(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H])C1([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	7024
[H]C1=C([H])C(=C([H])C(SC2=C(C3=C([H])C([H])=C(OC([H])([H])[H])C([H])=C3[H])[S@@](=O)C3=C2C([H])=C([H])C(OC([H])([H])[H])=C3[H])=C1[H])C(F)(F)F	4061
[H]N(C(=O)C(\Cl)=C(\Cl)[S@@](=O)C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C1=C([H])N=C(OC([H])([H])[H])C([H])=C1[H]	5840
[H]N(\N=C(/[H])C1=C(N(C(=C1[H])C([H])([H])[H])C1=C(C([H])=C([H])C([H])=C1C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C1=NC([H])=C(C([H])=C1[H])[N+]([O-])=O	3914
[H]C1=C([H])C(=C([H])C(=C1[H])C([H])([H])N1C([H])=C2C(=NN=C2C2=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C12)C1=C([H])C([H])=C(F)C([H])=C1[H])C([H])([H])[H]	5428
[H]N1N=C(C(=C1C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])OC1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H])C([H])([H])[H]	8147
[H]\C(C1=C([H])C([H])=C([H])N1C([H])([H])[H])=C1\C(=O)\C(=C(/[H])C2=C([H])C([H])=C([H])N2C([H])([H])[H])C([H])([H])[C@@]([H])(C([H])([H])[H])C1([H])[H]	5453
[H]N([H])C1=C(SC2=C1C([H])=C([H])C(=N2)C1=C([H])C([H])=C([H])C([H])=C1[H])C(=O)C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C1[H]	6453
[H]N1C(=S)N(C(=O)\C1=C(/[H])C1=C([H])C(=C(C([H])=C1[H])N1C([H])([H])C([H])([H])C([H])([H])C1([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[H]	7622
[H]N([H])C1=C(SC2=C1C([H])=C([H])C(=N2)C1=C([H])C([H])=C([H])S1)C(=O)N([H])C1=NC2=C([H])C([H])=C([H])C([H])=C2S1	5888
[H]OC([H])([H])C([H])([H])N([H])C1=C(C2=NON=C2C(SC2=NC3=C([H])C([H])=C([H])C([H])=C3S2)=C1[H])[N+]([O-])=O	4264
[H]N([H])C1=C(SC2=C1C(=C([H])C(=N2)C1=C([H])C([H])=C([H])S1)C1=C([H])C([H])=C(Cl)C([H])=C1[H])C#N	6319
[H]N(C(=O)C1=C(SN=N1)[S@@](=O)C1=C([H])C([H])=C(Cl)C([H])=C1[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	8822
[H]C1=C([H])C(=C([H])C([H])=C1N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])C1=NC2=C(Br)C([H])=C(Br)C([H])=C2C([H])=C1[H]	3069
[H]\C(=C(\[H])C1=C([H])C([H])=C(C([H])=C1[H])N(C([H])([H])[H])C([H])([H])[H])C(=O)C1=C([H])C(Br)=C([H])C([H])=C1[H]	7831
[H]N(C(=O)[C@]1([H])C([H])([H])N(C2=NC(=C([H])C(OC([H])([H])[H])=N2)C([H])([H])[H])C([H])([H])C([H])([H])C1([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]	6747
[H]C1=C([H])C([H])=C(C([H])=C1[H])N(C1=C([H])C([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])[N+]([O-])=O	6257
[H]N([H])C1=C(SC2=C1C([H])=C([H])C(=N2)C1=C([H])C([H])=C([H])C([H])=C1[H])C(=O)OC([H])(C([H])([H])[H])C([H])([H])[H]	3499
[H]N([H])S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])C1=C([H])C([H])=C(O1)C(\[H])=C(\C#N)C1=NC2=C([H])C([H])=C([H])C([H])=C2S1	5102
[H]N([H])C1=C([H])C(=C(\N=N\C2=C(N(N(C2=O)C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])[H])C([H])([H])[H])C([H])=C1[H])C([H])([H])[H]	5311
[H]N(N([H])C(=O)C([H])([H])OC1=C([H])C2=C([H])C([H])=C([H])C([H])=C2C([H])=C1[H])C(=O)C(=O)N([H])C1=C([H])C([H])=C([H])C([H])=C1OC([H])([H])[H]	5322
[H]N(C1=C(C2=NON=C2C(SC2=NC3=C([H])C([H])=C([H])C([H])=C3N2[H])=C1[H])[N+]([O-])=O)C([H])([H])C([H])([H])OC(=O)C([H])([H])[H]	4219
[H]\C(=C(\[H])[N+]([O-])=O)C1=C([H])C([H])=C(C([H])=C1[H])N(C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])[H]	7348
[H]OC(=O)[C@]1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@@]1([H])C(=O)N([H])C([H])([H])C([H])([H])C([H])([H])N1C([H])=NC([H])=C1[H]	4251
[H]N([H])C1=C(SC2=NC(=C([H])C(C3=C([H])C([H])=C([H])S3)=C12)C([H])([H])[H])C(=O)C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H]	5125
[H]\C(=C(\[H])[N+]([O-])=O)C1=C(OC([H])([H])C(=O)OC([H])([H])C([H])([H])[H])C([H])=C([H])C2=C([H])C([H])=C([H])C([H])=C12	6084
[H]O[C@]([H])(C([H])([H])N1C([H])=C(\C([H])=C(/[H])C(=O)C2=C([H])C([H])=C([H])S2)C2=C([H])C([H])=C([H])C([H])=C12)C([H])([H])N1C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	7648
[H]O[C@@]([H])(C([H])([H])N(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])N1C([H])=C(\C([H])=C(/[H])C(=O)C2=C([H])C([H])=C([H])S2)C2=C([H])C([H])=C([H])C([H])=C12	7974
[H]\C(=C(/[H])[N+]([O-])=O)C1=C([H])C([H])=C([H])C([H])=C1OC([H])([H])C(=O)OC([H])([H])C([H])([H])[H]	4869
[H]N(C1=C(C2=NON=C2C(SC2=NC([H])=C([H])N2C([H])([H])[H])=C1[H])[N+]([O-])=O)C([H])([H])C([H])([H])OC(=O)C([H])([H])C([H])([H])[H]	3509
[H]N(C1=C(C2=NON=C2C(SC2=NC([H])=C([H])N2C([H])([H])[H])=C1[H])[N+]([O-])=O)C([H])([H])C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])[H]	3565
[H]N(C1=C(C2=NON=C2C(SC2=NC3=C([H])C([H])=C([H])C([H])=C3N2[H])=C1[H])[N+]([O-])=O)C([H])([H])C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])[H]	6088
[H]N([H])C1=C(C2=NC3=C([H])C([H])=C([H])C([H])=C3N2C([H])([H])[H])C2=NC3=C([H])C([H])=C([H])C([H])=C3N=C2N1C1=C([H])C([H])=C([H])C([H])=C1[H]	3457
[H]N([H])C1=C(SC2=NC(=C([H])C(C3=C([H])C([H])=C([H])S3)=C12)C([H])([H])[H])C(=O)C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C1[H]	7409
[H]N([H])C1=C(SC2=NC(C3=C([H])C([H])=C(C([H])=C3[H])C([H])([H])[H])=C3C(=C12)C([H])([H])C([H])([H])C([H])([H])C3([H])[H])C(=O)C([H])([H])[H]	5367
[H]N(C(=O)C(\[H])=C(/[H])C1=C([H])C([H])=C(S1)[N+]([O-])=O)C1=C([H])C([H])=C([H])C([H])=C1C([H])([H])[H]	9525
[H]OC([H])([H])C([H])([H])N([H])C1=C2C(F)=C(F)C(F)=C(F)C2=NC2=C([H])C([H])=C([H])C([H])=C12	3122
[H]N([H])C1=C(C2=NON=C2C(Cl)=C1[H])[N+]([O-])=O	4733
[H]N(C(=O)C1=C(C([H])=C([H])C(=C1[H])N1C(=O)C([H])=C([H])C1=O)N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])C1=C([H])C(Cl)=C(C([H])=C1[H])C([H])([H])[H]	5482
[H]C1=C([H])C([H])=C(S1)C1=NN(C2=C([H])C([H])=C([H])C([H])=C2OC([H])([H])[H])[C@]([H])(C2=C([H])C([H])=C([H])C([H])=C2[H])C1([H])[H]	6569
[H]\C(=C(\[H])C1=C([H])C([H])=C(C([H])=C1[H])N(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H])C(=O)C1=C([H])C([H])=C(Br)C([H])=C1[H]	5692
[H]N(C(=O)C([H])([H])OC(=O)C1=C2C(=NC3=C([H])C([H])=C([H])C([H])=C13)\C(=C(/[H])C1=C([H])C([H])=C([H])S1)C([H])([H])C2([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]	5951
[H]\C(C1=C([H])C([H])=C(OC([H])(F)F)C([H])=C1[H])=C1\C(=O)N(C(=O)C2=C([H])C([H])=C([H])C([H])=C12)C1=C([H])C([H])=C([H])C(=C1[H])C([H])([H])[H]	4950
[H]N(C(=O)C([H])([H])OC(=O)C1=C2C(=NC3=C([H])C([H])=C([H])C([H])=C13)\C(=C(/[H])C1=C([H])C([H])=C([H])S1)C([H])([H])C2([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]	3277
[H]C1=C([H])C(=C([H])C([H])=C1N1C(Cl)=C(Cl)N=C(Cl)C1=O)C([H])([H])[H]	5019
[H]N(\N=C(/[H])C1=C([H])C(Br)=C(OC([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])=C1[H])C(=S)N([H])C([H])([H])[H]	8585
[H]N(C(=O)C1=NC(=NC([H])=C1Cl)S(=O)(=O)C([H])([H])[H])C1=C([H])C2=C([H])C([H])=C([H])C([H])=C2C([H])=C1[H]	7327
[H]OC1=C([H])C([H])=C([H])C(=C1[H])N1C(=O)C2=C([H])C([H])=C([H])C3=C(C([H])=C([H])C(C1=O)=C23)N1C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	5406
[H]OC1=C([H])C([H])=C([H])C([H])=C1N1C(=O)C2=C([H])C([H])=C([H])C3=C(C([H])=C([H])C(C1=O)=C23)N1C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	9348
[H]C1=C([H])C([H])=C2C(Cl)=C(C(=O)N(C2=C1[H])C([H])([H])[H])[N+]([O-])=O	3656
[H]OC1=C([H])C([H])=C(C([H])=C1[H])N1C([H])([H])C([H])([H])N(C([H])([H])C(=O)N([H])C2=C(Cl)C([H])=C([H])C(=C2[H])S(=O)(=O)N2C([H])([H])C([H])([H])OC([H])([H])C2([H])[H])C([H])([H])C1([H])[H]	4311
[H]C1=C([H])C([H])=C2C(Cl)=C(C(=O)N(C2=C1[H])C([H])([H])C([H])([H])[H])[N+]([O-])=O	3220
[H]\C(=C(\[H])C1=NC2=C([H])C([H])=C([H])C([H])=C2N1C([H])([H])[H])C1=C([H])C([H])=C(O1)C(=O)C([H])([H])C([H])([H])[H]	9312
[H]C1=C([H])C([H])=C2C(Cl)=C(C(=O)OC2=C1[H])C([H])([H])N1C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	3371
[H]N(\N=C(/[H])C1=C([H])C([H])=C(O1)C1=C([H])C([H])=C(C([H])=C1[H])[N+]([O-])=O)C1=NC(=NC(=N1)N([H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H]	7364
[H]OC([H])([H])C([H])([H])C([H])([H])N([H])C1=C(C2=NON=C2C(SC2=NN=C(S2)C([H])([H])[H])=C1[H])[N+]([O-])=O	7203
[H]N(C1=NC(=C([H])S1)C1=C(N=C2N=C([H])C([H])=C([H])N12)C([H])([H])[H])C1=C([H])C([H])=C(C([H])=C1[H])N(C([H])([H])[H])C([H])([H])[H]	2951
[H]N(C(=O)C1=C(SN=N1)S(=O)(=O)C1=C([H])C([H])=C(Cl)C([H])=C1[H])C([H])([H])C([H])([H])C([H])([H])[H]	8931
[H]N(C(=O)C1=C(SN=N1)[S@@](=O)C1=C([H])C([H])=C(Cl)C([H])=C1[H])C([H])([H])[H]	9881
[H]N(C(=O)C1=C(SN=N1)[S@@](=O)C1=C([H])C([H])=C(Cl)C([H])=C1[H])C([H])([H])C([H])([H])C([H])([H])[H]	8166
[H]N(C(=O)C(\Cl)=C(\Cl)[S@@](=O)C([H])([H])C1=C([H])C([H])=C(Cl)C([H])=C1[H])C1=C([H])N=C(OC([H])([H])[H])C([H])=C1[H]	4467
[H]N(C1=C(Cl)C([H])=C(C([H])=N1)C(F)(F)F)C([H])([H])C([H])([H])N1C(=O)C([H])=C([H])C1=O	7134
[H]N(C(=O)C(\Cl)=C(/Cl)[S@@](=O)C1=C([H])C([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C([H])C([H])=C1Cl	6874
[H]N([H])C1=C([H])C2=C(C([H])=C1[H])C1=C(C([H])=C(C([H])=C1[H])[N+]([O-])=O)C2([H])[H]	9242
[H]N(\N=C(\C1=C([H])C2=C([H])C([H])=C([H])C([H])=C2O1)C([H])([H])[H])C1=C([H])C([H])=C(C([H])=C1[H])[N+]([O-])=O	3008
[H]\C(=C(\[H])C1=C([H])C([H])=C(C([H])=C1[H])N(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H])C(=O)[C@@]1([H])C(=O)OC(=C([H])C1=O)C([H])([H])[H]	7639
[H]C(=O)C1=C(Cl)N(\C(S1)=N/S(=O)(=O)C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C([H])([H])C([H])([H])Cl	5145
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[H]N(C1=N[N+](=C(S1)C1=C2C([H])=C([H])C([H])=C([H])C2=C([H])C2=C([H])C([H])=C([H])C([H])=C12)C1=C([H])C([H])=C(F)C([H])=C1[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	7174
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[H]N(C(=O)C1=NC(=NC([H])=C1Cl)S(=O)(=O)C([H])([H])C([H])([H])[H])C1=C([H])C([H])=C(C([H])=C1[H])S(=O)(=O)N1C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C1([H])[H]	7436
[H]N(C(=O)C1=NC(=NC([H])=C1Cl)S(=O)(=O)C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C(F)C([H])=C1[H]	8214
[H]N(C(=O)C1=NC(=NC([H])=C1Cl)S(=O)(=O)C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C([H])C(=C1[H])C([H])([H])[H]	9412
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[H]N(C(=O)C1=NC(=NC([H])=C1Cl)S(=O)(=O)C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C1=C(OC([H])([H])[H])C([H])=C([H])C(OC([H])([H])[H])=C1[H]	4850
[H]N(C(=O)N1C2=C([H])C([H])=C([H])C([H])=C2N([H])C(=O)C([H])([H])[C@@]1([H])C([H])([H])[H])C1=C([H])C([H])=C(F)C([H])=C1[H]	6676
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[H]N([H])C(=N/C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])\N=C(/N([H])[H])N([H])C(=N\C([H])([H])[C@]([H])(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])\N([H])[H])\N([H])C(=N\C([H])([H])[C@]([H])(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])\N([H])[H]	6192
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[H]C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])S(=O)(=O)C1=C([H])C(=C([H])C(=C1C#N)[N+]([O-])=O)[N+]([O-])=O	6974
[H]N(C1=C(N=C2C([H])=NC([H])=C([H])N12)C1=C([H])C(SC2([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C2([H])[H])=C([H])C([H])=C1[H])C1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	6545
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[H]N(C1=C(N=C2C([H])=NC([H])=C([H])N12)C1=C([H])C([H])=C(SC2([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C2([H])[H])C([H])=C1[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]	3382
[H]O\C(\C(\[H])=C(/[H])C1=C([H])C([H])=C(O[H])C([H])=C1[H])=C(\[H])C(=O)C(\[H])=C(/[H])C1=C([H])C([H])=C(O[H])C([H])=C1[H]	9767
[H]N(C(=O)C1=C2C(=O)C3=C(C([H])=C(C([H])=C3[H])N3C([H])([H])C([H])([H])C([H])(C([H])([H])C4=C([H])C([H])=C([H])C([H])=C4[H])C([H])([H])C3([H])[H])S(=O)(=O)C2=C([H])C([H])=C1[H])C([H])([H])C1=C([H])C([H])=C([H])O1	7168
[H]N(C(=O)C1=C2C(=O)C3=C(C([H])=C(C([H])=C3[H])N3C([H])([H])C([H])([H])C([H])(C([H])([H])C4=C([H])C([H])=C([H])C([H])=C4[H])C([H])([H])C3([H])[H])S(=O)(=O)C2=C([H])C([H])=C1[H])C([H])([H])C1=C([H])C(F)=C([H])C([H])=C1[H]	4182
[H]N(C(=O)C1=C2C(=O)C3=C(C([H])=C(C([H])=C3[H])N3C([H])([H])C([H])([H])C([H])(C([H])([H])C4=C([H])C([H])=C([H])C([H])=C4[H])C([H])([H])C3([H])[H])S(=O)(=O)C2=C([H])C([H])=C1[H])C1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	6468
[H]N(C(=O)C1=C2C(=O)C3=C(C([H])=C(C([H])=C3[H])N3C([H])([H])C([H])([H])C([H])(C([H])([H])C4=C([H])C([H])=C([H])C([H])=C4[H])C([H])([H])C3([H])[H])S(=O)(=O)C2=C([H])C([H])=C1[H])C([H])([H])C1=C([H])C(=C([H])C([H])=C1[H])C(F)(F)F	3213
[H]C1=C([H])C(OC([H])([H])[H])=C([H])C2=C1SC(=C2C(=O)OC([H])([H])[H])C1=C([H])C([H])=C(C([H])=C1[H])N(C([H])([H])[H])C([H])([H])[H]	4520
[H]N(C1=C(Cl)C(=O)C2=C([H])C([H])=C([H])C([H])=C2C1=O)C([H])([H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]	5791
[H]C1=C([H])C(=O)N(C1=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N1C(=O)C([H])=C([H])C1=O	7183
[H]OC([H])([H])C([H])([H])N(C1=C(C2=NON=C2C(SC2=NC3=C([H])C([H])=C([H])C([H])=C3S2)=C1[H])[N+]([O-])=O)C([H])([H])[H]	4634
[H]N(C1=C(C2=NON=C2C(SC2=NC3=C([H])C([H])=C([H])C([H])=C3S2)=C1[H])[N+]([O-])=O)C([H])([H])C([H])([H])OC(=O)C([H])([H])C([H])([H])[H]	6365
[H]N(C1=C2C3=C([H])C([H])=C([H])C([H])=C3C(=O)C3=C2C(=C([H])C([H])=C3[H])N(C1=O)C([H])([H])[H])C([H])([H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]	5416
[H]C1=C([H])C(=O)N(C1=O)C1=C([H])C([H])=C([H])C([H])=C1N1C(=O)C([H])=C([H])C1=O	7768
[H]C1=C(Br)C([H])=C(Br)C(=O)C(Br)=C1[H]	3117
[H]C1=C([H])C([H])=C(OC2=C(Cl)C(=O)C3=C([H])C([H])=C([H])C([H])=C3C2=O)C([H])=C1[H]	2626
[H]N(N([H])C1=C(C([H])=C(C([H])=C1[H])[N+]([O-])=O)S(=O)(=O)N([H])C1=C([H])C([H])=C([H])C([H])=C1OC([H])([H])[H])C(\[H])=C1/C([H])=NC2=C([H])C([H])=C([H])C([H])=C12	3826
[H]N(C(=O)C([H])([H])[H])C1=C([H])C2=C(C([H])=C1[H])C1=C(C([H])=C(C([H])=C1[H])N1C(=O)C([H])=C([H])C1=O)C2([H])[H]	5854
[H]O[C@@]([H])(C([H])([H])[H])C([H])([H])N(C1=C([H])C2=C(C([H])=C1[H])C1=C(C([H])=C(C([H])=C1[H])[N+]([O-])=O)C2([H])[H])C([H])([H])[C@@]([H])(O[H])C([H])([H])[H]	3972
[H]N(C(=O)C(F)(F)F)[C@@]1([H])C2=C([H])C([H])=C([H])C([H])=C2C2=C1C([H])=C(C([H])=C2[H])N1C(=O)C([H])=C([H])C1=O	7809
[H]O[C@]1([H])[C@@]2([H])C(=C([H])[H])C(=O)[C@]11[C@@]([H])(C([H])([H])C2([H])[H])[C@@]23C([H])([H])O[C@]1(O[H])[C@@]([H])(O[H])[C@]2([H])[C@@](C([H])([H])[H])(C([H])([H])OC(=O)C([H])([H])[H])C([H])([H])C([H])([H])C3([H])[H]	7929
[H]OC(=O)[C@]1(C([H])([H])[H])C([H])([H])C([H])([H])[C@]2(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]3(C4=C([H])C([H])=C5C(=C(O[H])C(=O)C([H])=C5[C@]4(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]3(C([H])([H])[H])[C@]2([H])C1([H])[H])C([H])([H])[H])C([H])([H])[H]	3015
[H]N(C(=O)C([H])([H])C([H])([H])C([H])([H])[H])C1=C(Cl)C(=O)C2=C([H])C([H])=C([H])C([H])=C2C1=O	4116
[H]C1=C([H])C([H])=C2N(C(=NC2=C1[H])C1=C([H])C2=C(OC1=O)C([H])=C(C([H])=C2[H])N(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])[H]	3383
[H]\C(\C(\[H])=C(/[H])S(=O)(=O)C1=C([H])C([H])=C([H])C([H])=C1[H])=C(\[H])S(=O)(=O)C1=C([H])C([H])=C([H])C([H])=C1[H]	4211
[H]OC1=C([H])C([H])=C(C([H])=C1[H])C(=O)C(\[H])=C(/[H])C1=C([H])C([H])=C(C([H])=C1[H])N(C([H])([H])[H])C([H])([H])[H]	7471
[H]C1=C(OC(=C1[H])S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[H])[N+]([O-])=O	4784
[H]C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[C@@]1([H])OC2(O[C@]1([H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])=C([H])C(=O)C([H])=C2[H]	2952
[H]C1=C([H])C(=C([H])C([H])=C1OC([H])([H])[H])C([H])([H])[C@]1([H])OC2(O[C@@]1([H])C([H])([H])C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H])C([H])=C([H])C(=O)C([H])=C2[H]	2921
[H]C([H])=C1C(=O)C2=C(C([H])=C([H])S2)[C@@]([H])(C2=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C2[H])[C@]1([H])C([H])([H])OC(=O)C([H])([H])[H]	7414
[H]C1=C([H])C([H])=C(C([H])=C1[H])C(C1=C([H])C([H])=C(C([H])=C1[H])N(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H])=C1C([H])=C([H])C(C([H])=C1[H])=[N+](C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H]	1509
[H]C1=C([H])C(=O)N(C1=O)C1=C([H])C(OC([H])([H])[H])=C(C([H])=C1[H])N1C(=O)C([H])=C([H])C1=O	6379
[H]C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[S@](=O)C1=C(C([H])=C(C([H])=C1[H])[N+]([O-])=O)[N+]([O-])=O	5121
[H]C1=C([H])C([H])=C(N(C(=O)C([H])([H])[H])C2=C(Cl)C(=O)C3=C([H])C([H])=C([H])C([H])=C3C2=O)C(OC([H])([H])[H])=C1[H]	2775
[H]\C(=C(\[H])S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[H])S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[H]	8542
[H]N(C(=O)C1=C2C(=O)C3=C(C([H])=C(C([H])=C3[H])N3C([H])([H])C([H])([H])C([H])(N4C([H])([H])C([H])([H])C([H])([H])C([H])([H])C4([H])[H])C([H])([H])C3([H])[H])S(=O)(=O)C2=C([H])C([H])=C1[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1C(F)(F)F	5380