pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.15	Datawarrior	0	-1	O=C(O)[C@@H](O)c1ccccc1[N+](=O)[O-]	O=C([O-])[C@@H](O)c1ccccc1[N+](=O)[O-]	mol13297	O=C(O)C(O)c1ccccc1[N+](=O)[O-]
3.1500001	OCHEM	0	-1	O=C(O)[C@@H](O)c1ccccc1[N+](=O)[O-]	O=C([O-])[C@@H](O)c1ccccc1[N+](=O)[O-]	mol13297	O=C(O)C(O)c1ccccc1[N+](=O)[O-]
3.15000009536743	QSARToolbox	0	-1	O=C(O)[C@@H](O)c1ccccc1[N+](=O)[O-]	O=C([O-])[C@@H](O)c1ccccc1[N+](=O)[O-]	mol13297	O=C(O)C(O)c1ccccc1[N+](=O)[O-]