pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.57999992370606	QSARToolbox	0	-1	O=Cc1ccc(O)c([N+](=O)[O-])c1	O=Cc1ccc([O-])c([N+](=O)[O-])c1	mol30572	O=Cc1ccc(O)c([N+](=O)[O-])c1
4.58	AttenGpKa training set	0	-1	O=Cc1ccc(O)c([N+](=O)[O-])c1	O=Cc1ccc([O-])c([N+](=O)[O-])c1	mol30572	O=Cc1ccc(O)c([N+](=O)[O-])c1