pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.55	OCHEM	1	0	Nc1nc(O)[n+]([C@H]2C[C@@H](O)[C@@H](CO)O2)cc1CO,[NH3+]c1nc([O-])[n+]([C@H]2C[C@@H](O)[C@@H](CO)O2)cc1CO	Nc1nc([O-])[n+]([C@H]2C[C@@H](O)[C@@H](CO)O2)cc1CO	mol32278	Nc1nc(O)[n+](C2CC(O)C(CO)O2)cc1CO