pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.00999999046326	QSARToolbox	0	-1	CC(C)(C(=O)O)C(=O)Oc1ccc([N+](=O)[O-])cc1	CC(C)(C(=O)[O-])C(=O)Oc1ccc([N+](=O)[O-])cc1	mol35002	CC(C)(C(=O)O)C(=O)Oc1ccc([N+](=O)[O-])cc1