pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.8	IUPAC digitized pKa	0	-1	O=C(O)c1ccc([N+](=O)[O-])c2ccccc12	O=C([O-])c1ccc([N+](=O)[O-])c2ccccc12	mol11545	O=C(O)c1ccc([N+](=O)[O-])c2ccccc12
2.79999995231628	QSARToolbox	0	-1	O=C(O)c1ccc([N+](=O)[O-])c2ccccc12	O=C([O-])c1ccc([N+](=O)[O-])c2ccccc12	mol11545	O=C(O)c1ccc([N+](=O)[O-])c2ccccc12