pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.42	IUPAC digitized pKa	0	-1	Nc1ccc(C(=O)NO)cc1	Nc1ccc(C(=O)N[O-])cc1	mol10178	Nc1ccc(C(=O)NO)cc1
9.32	IUPAC digitized pKa	0	-1	Nc1ccc(C(=O)NO)cc1	Nc1ccc(C(=O)N[O-])cc1	mol10178	Nc1ccc(C(=O)NO)cc1
9.30000019073486	QSARToolbox	0	-1	Nc1ccc(C(=O)NO)cc1	Nc1ccc(C(=O)N[O-])cc1	mol10178	Nc1ccc(C(=O)NO)cc1
9.3	AttenGpKa training set	0	-1	Nc1ccc(C(=O)NO)cc1	Nc1ccc(C(=O)N[O-])cc1	mol10178	Nc1ccc(C(=O)NO)cc1