pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.76000022888184	QSARToolbox	1	0	NC1=[NH+][C@]23[C@H]([C@H]4O[C@](O)(O[C@@H]([C@H]2O)[C@@]4(O)CO)[C@@H]3O)[C@@H](O)N1,NC1=N[C@]23[C@H]([C@H]4O[C@](O)(O[C@@H]([C@H]2O)[C@@]4(O)C[OH2+])[C@@H]3O)[C@@H](O)N1	NC1=[NH+][C@]23[C@H]([C@H]4O[C@]([O-])(O[C@@H]([C@H]2O)[C@@]4(O)CO)[C@@H]3O)[C@@H](O)N1	mol37624	NC1=N[C@]23C(O)[C@]4(O)O[C@H]([C@@H]2[C@@H](O)N1)C(O)(CO)[C@@H](O4)[C@H]3O