pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.54	OCHEM	0	-1	O=C(O)C=Cc1cc([N+](=O)[O-])ccc1O	O=C([O-])C=Cc1cc([N+](=O)[O-])ccc1O	mol33080	O=C(O)C=Cc1cc([N+](=O)[O-])ccc1O
3.53999996185303	QSARToolbox	0	-1	O=C(O)C=Cc1cc([N+](=O)[O-])ccc1O	O=C([O-])C=Cc1cc([N+](=O)[O-])ccc1O	mol33080	O=C(O)C=Cc1cc([N+](=O)[O-])ccc1O