pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.4099998	OCHEM	0	-1	Nc1nc(O)c2ncn([C@@H]3O[C@@H](CO)[C@@H](O)[C@H]3O)c2n1	Nc1nc([O-])c2ncn([C@@H]3O[C@@H](CO)[C@@H](O)[C@H]3O)c2n1	mol32276	Nc1nc(O)c2ncn(C3OC(CO)C(O)C3O)c2n1
1.9	OCHEM	2	1	Nc1nc(O)c2ncn([C@@H]3O[C@@H](CO)[C@@H]([OH2+])[C@H]3[OH2+])c2n1	Nc1nc(O)c2ncn([C@@H]3O[C@@H](CO)[C@@H](O)[C@H]3[OH2+])c2n1	mol32276	Nc1nc(O)c2ncn(C3OC(CO)C(O)C3O)c2n1