pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.4	OCHEM	1	0	COc1nc[nH+]cc1-c1ccc([N+](=O)[O-])cc1,COc1[nH+]cncc1-c1ccc([N+](=O)[O-])cc1	COc1ncncc1-c1ccc([N+](=O)[O-])cc1	mol33701	COc1ncncc1-c1ccc([N+](=O)[O-])cc1
2.40000009536743	QSARToolbox	1	0	COc1nc[nH+]cc1-c1ccc([N+](=O)[O-])cc1,COc1[nH+]cncc1-c1ccc([N+](=O)[O-])cc1	COc1ncncc1-c1ccc([N+](=O)[O-])cc1	mol33701	COc1ncncc1-c1ccc([N+](=O)[O-])cc1