pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.89	OCHEM	0	-1	Cc1cc(C(=O)Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1O	Cc1cc(C(=O)Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1[O-]	mol31883	Cc1cc(C(=O)Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1O
7.8899998664856	QSARToolbox	0	-1	Cc1cc(C(=O)Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1O	Cc1cc(C(=O)Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1[O-]	mol31883	Cc1cc(C(=O)Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1O