pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.65	IUPAC digitized pKa	0	-1	Nc1ccc(O)c(O)c1	Nc1ccc(O)c([O-])c1,Nc1ccc([O-])c(O)c1	mol9719	Nc1ccc(O)c(O)c1
8.18	AttenGpKa training set	0	-1	Nc1ccc(O)c(O)c1	Nc1ccc(O)c([O-])c1,Nc1ccc([O-])c(O)c1	mol9719	Nc1ccc(O)c(O)c1
8.12	IUPAC digitized pKa	1	0	[NH3+]c1ccc(O)c(O)c1	Nc1ccc(O)c(O)c1	mol9719	Nc1ccc(O)c(O)c1
12.11	IUPAC digitized pKa	-1	-2	Nc1ccc(O)c([O-])c1,Nc1ccc([O-])c(O)c1	Nc1ccc([O-])c([O-])c1	mol9719	Nc1ccc(O)c(O)c1