pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.99	Datawarrior	0	-1	O=C(O)[C@H](O)c1ccc([N+](=O)[O-])cc1	O=C([O-])[C@H](O)c1ccc([N+](=O)[O-])cc1	mol13295	O=C(O)C(O)c1ccc([N+](=O)[O-])cc1
2.99000000953674	QSARToolbox	0	-1	O=C(O)[C@H](O)c1ccc([N+](=O)[O-])cc1	O=C([O-])[C@H](O)c1ccc([N+](=O)[O-])cc1	mol13295	O=C(O)C(O)c1ccc([N+](=O)[O-])cc1