pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.45	IUPAC digitized pKa	0	-1	O=C(O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1	O=C([O-])[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1	mol11334	O=C(O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1