pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.14	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)c1c([N+](=O)[O-])cccc1[N+](=O)[O-]	O=C([O-])c1c([N+](=O)[O-])cccc1[N+](=O)[O-]	mol909	O=C(O)c1c([N+](=O)[O-])cccc1[N+](=O)[O-]
1.13999998569489	QSARToolbox	0	-1	O=C(O)c1c([N+](=O)[O-])cccc1[N+](=O)[O-]	O=C([O-])c1c([N+](=O)[O-])cccc1[N+](=O)[O-]	mol909	O=C(O)c1c([N+](=O)[O-])cccc1[N+](=O)[O-]