pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.05	Datawarrior	0	-1	O/N=C/c1ccc(O)cc1O	[O-]c1cc(O)ccc1/C=N/O,[O-]c1ccc(/C=N/O)c(O)c1	mol14262	O/N=C/c1ccc(O)cc1O
9.94	AttenGpKa training set	-1	-2	[O-]c1cc(O)ccc1/C=N/O,[O-]c1ccc(/C=N/O)c(O)c1	[O-]/N=C/c1ccc([O-])cc1O,[O-]/N=C/c1ccc(O)cc1[O-],[O-]c1ccc(/C=N/O)c([O-])c1	mol14262	O/N=C/c1ccc(O)cc1O