pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.36	IUPAC digitized pKa	1	0	COc1ccc([NH3+])cc1[N+](=O)[O-]	COc1ccc(N)cc1[N+](=O)[O-]	mol1695	COc1ccc(N)cc1[N+](=O)[O-]
3.35999989509583	QSARToolbox	1	0	COc1ccc([NH3+])cc1[N+](=O)[O-]	COc1ccc(N)cc1[N+](=O)[O-]	mol1695	COc1ccc(N)cc1[N+](=O)[O-]