pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.79	IUPAC digitized pKa	0	-1	O=C(O)c1cc2ccccc2cc1O	O=C([O-])c1cc2ccccc2cc1O	mol11489	O=C(O)c1cc2ccccc2cc1O
2.71	IUPAC digitized pKa	0	-1	O=C(O)c1cc2ccccc2cc1O	O=C([O-])c1cc2ccccc2cc1O	mol11489	O=C(O)c1cc2ccccc2cc1O
2.75	OCHEM	0	-1	O=C(O)c1cc2ccccc2cc1O	O=C([O-])c1cc2ccccc2cc1O	mol11489	O=C(O)c1cc2ccccc2cc1O
2.78999996185303	QSARToolbox	0	-1	O=C(O)c1cc2ccccc2cc1O	O=C([O-])c1cc2ccccc2cc1O	mol11489	O=C(O)c1cc2ccccc2cc1O
2.71000003814697	QSARToolbox	0	-1	O=C(O)c1cc2ccccc2cc1O	O=C([O-])c1cc2ccccc2cc1O	mol11489	O=C(O)c1cc2ccccc2cc1O
3.56	AttenGpKa training set	0	-1	O=C(O)c1cc2ccccc2cc1O	O=C([O-])c1cc2ccccc2cc1O	mol11489	O=C(O)c1cc2ccccc2cc1O
12.84	IUPAC digitized pKa	-1	-2	O=C([O-])c1cc2ccccc2cc1O	O=C([O-])c1cc2ccccc2cc1[O-]	mol11489	O=C(O)c1cc2ccccc2cc1O
12.19	Datawarrior	-1	-2	O=C([O-])c1cc2ccccc2cc1O	O=C([O-])c1cc2ccccc2cc1[O-]	mol11489	O=C(O)c1cc2ccccc2cc1O
12.1899995803833	QSARToolbox	-1	-2	O=C([O-])c1cc2ccccc2cc1O	O=C([O-])c1cc2ccccc2cc1[O-]	mol11489	O=C(O)c1cc2ccccc2cc1O
12.8400001525879	QSARToolbox	-1	-2	O=C([O-])c1cc2ccccc2cc1O	O=C([O-])c1cc2ccccc2cc1[O-]	mol11489	O=C(O)c1cc2ccccc2cc1O
10.92	AttenGpKa training set	-1	-2	O=C([O-])c1cc2ccccc2cc1O	O=C([O-])c1cc2ccccc2cc1[O-]	mol11489	O=C(O)c1cc2ccccc2cc1O