pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.58	IUPAC digitized pKa	-3	-4	O=C([O-])c1cc(C(=O)[O-])c(C(=O)[O-])[nH+]c1C(=O)[O-],O=C([O-])c1cc(C(=O)[O-])c(C(=O)O)nc1C(=O)[O-],O=C([O-])c1cc(C(=O)O)c(C(=O)[O-])nc1C(=O)[O-]	O=C([O-])c1cc(C(=O)[O-])c(C(=O)[O-])nc1C(=O)[O-]	mol6559	O=C(O)c1cc(C(=O)O)c(C(=O)O)nc1C(=O)O
2.54	IUPAC digitized pKa	-1	-2	O=C(O)c1cc(C(=O)O)c(C(=O)[O-])[nH+]c1C(=O)[O-],O=C([O-])c1cc(C(=O)O)c(C(=O)O)nc1C(=O)O,O=C(O)c1cc(C(=O)O)c(C(=O)O)nc1C(=O)[O-]	O=C([O-])c1cc(C(=O)[O-])c(C(=O)O)nc1C(=O)O,O=C([O-])c1cc(C(=O)O)c(C(=O)O)nc1C(=O)[O-],O=C([O-])c1cc(C(=O)O)c(C(=O)[O-])nc1C(=O)O,O=C(O)c1cc(C(=O)O)c(C(=O)[O-])nc1C(=O)[O-]	mol6559	O=C(O)c1cc(C(=O)O)c(C(=O)O)nc1C(=O)O
4.16	IUPAC digitized pKa	-2	-3	O=C([O-])c1cc(C(=O)[O-])c(C(=O)O)nc1C(=O)O,O=C([O-])c1cc(C(=O)O)c(C(=O)O)nc1C(=O)[O-],O=C([O-])c1cc(C(=O)O)c(C(=O)[O-])nc1C(=O)O,O=C(O)c1cc(C(=O)O)c(C(=O)[O-])nc1C(=O)[O-]	O=C([O-])c1cc(C(=O)[O-])c(C(=O)[O-])[nH+]c1C(=O)[O-],O=C([O-])c1cc(C(=O)[O-])c(C(=O)O)nc1C(=O)[O-],O=C([O-])c1cc(C(=O)O)c(C(=O)[O-])nc1C(=O)[O-]	mol6559	O=C(O)c1cc(C(=O)O)c(C(=O)O)nc1C(=O)O