pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.0	IUPAC digitized pKa	0	-1	O=C(O)c1nc(-c2ccccc2)[nH]c1C(=O)O	O=C([O-])c1nc(-c2ccccc2)[nH]c1C(=O)O,O=C(O)c1nc(-c2ccccc2)[nH]c1C(=O)[O-]	mol6663	O=C(O)c1nc(-c2ccccc2)[nH]c1C(=O)O
7.0	IUPAC digitized pKa	-1	-2	O=C([O-])c1nc(-c2ccccc2)[nH]c1C(=O)O,O=C(O)c1nc(-c2ccccc2)[nH]c1C(=O)[O-]	O=C([O-])c1nc(-c2ccccc2)[n-]c1C(=O)O,O=C([O-])c1nc(-c2ccccc2)[nH]c1C(=O)[O-],O=C(O)c1nc(-c2ccccc2)[n-]c1C(=O)[O-]	mol6663	O=C(O)c1nc(-c2ccccc2)[nH]c1C(=O)O
7.68	IUPAC digitized pKa	-1	-2	O=C([O-])c1nc(-c2ccccc2)[nH]c1C(=O)O,O=C(O)c1nc(-c2ccccc2)[nH]c1C(=O)[O-]	O=C([O-])c1nc(-c2ccccc2)[n-]c1C(=O)O,O=C([O-])c1nc(-c2ccccc2)[nH]c1C(=O)[O-],O=C(O)c1nc(-c2ccccc2)[n-]c1C(=O)[O-]	mol6663	O=C(O)c1nc(-c2ccccc2)[nH]c1C(=O)O