pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.82	IUPAC digitized pKa	0	-1	O=C(O)c1ccc(O)nc1	O=C([O-])c1ccc(O)nc1	mol9646	O=C(O)c1ccc(O)nc1
-0.64	AttenGpKa training set	1	0	O=C(O)c1ccc(O)[nH+]c1	O=C(O)c1ccc(O)nc1	mol9646	O=C(O)c1ccc(O)nc1