pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.23	IUPAC digitized pKa	0	-1	Nc1cc(O)cc(O)c1	Nc1cc([O-])cc(O)c1	mol9720	Nc1cc(O)cc(O)c1
7.88	AttenGpKa training set	0	-1	Nc1cc(O)cc(O)c1	Nc1cc([O-])cc(O)c1	mol9720	Nc1cc(O)cc(O)c1
7.88	IUPAC digitized pKa	1	0	[NH3+]c1cc(O)cc(O)c1	Nc1cc(O)cc(O)c1	mol9720	Nc1cc(O)cc(O)c1
11.16	IUPAC digitized pKa	-1	-2	Nc1cc([O-])cc(O)c1	Nc1cc([O-])cc([O-])c1	mol9720	Nc1cc(O)cc(O)c1