pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.03	Datawarrior	0	-1	O=C(O)[C@H](O)c1cccc([N+](=O)[O-])c1	O=C([O-])[C@H](O)c1cccc([N+](=O)[O-])c1	mol13296	O=C(O)C(O)c1cccc([N+](=O)[O-])c1
3.02999997138977	QSARToolbox	0	-1	O=C(O)[C@H](O)c1cccc([N+](=O)[O-])c1	O=C([O-])[C@H](O)c1cccc([N+](=O)[O-])c1	mol13296	O=C(O)C(O)c1cccc([N+](=O)[O-])c1