pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.24	IUPAC digitized pKa	0	-1	O=C(O)c1cccc(O)c(=O)c1C(=O)O	O=C([O-])c1cccc(O)c(=O)c1C(=O)O,O=C(O)c1cccc(O)c(=O)c1C(=O)[O-]	mol10832	O=C(O)c1cccc(O)c(=O)c1C(=O)O
6.26	IUPAC digitized pKa	-1	-2	O=C([O-])c1cccc(O)c(=O)c1C(=O)O,O=C(O)c1cccc(O)c(=O)c1C(=O)[O-]	O=C([O-])c1cccc(O)c(=O)c1C(=O)[O-]	mol10832	O=C(O)c1cccc(O)c(=O)c1C(=O)O
3.24	AttenGpKa training set	-1	-2	O=C([O-])c1cccc(O)c(=O)c1C(=O)O,O=C(O)c1cccc(O)c(=O)c1C(=O)[O-]	O=C([O-])c1cccc(O)c(=O)c1C(=O)[O-]	mol10832	O=C(O)c1cccc(O)c(=O)c1C(=O)O
8.57	IUPAC digitized pKa	-2	-3	O=C([O-])c1cccc(O)c(=O)c1C(=O)[O-]	O=C([O-])c1cccc([O-])c(=O)c1C(=O)[O-]	mol10832	O=C(O)c1cccc(O)c(=O)c1C(=O)O
6.26	AttenGpKa training set	-2	-3	O=C([O-])c1cccc(O)c(=O)c1C(=O)[O-]	O=C([O-])c1cccc([O-])c(=O)c1C(=O)[O-]	mol10832	O=C(O)c1cccc(O)c(=O)c1C(=O)O