pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.597	IUPAC digitized pKa	0	-1	O=C(O)c1cccc2ccccc12	O=C([O-])c1cccc2ccccc12	mol5698	O=C(O)c1cccc2ccccc12
3.64	IUPAC digitized pKa	0	-1	O=C(O)c1cccc2ccccc12	O=C([O-])c1cccc2ccccc12	mol5698	O=C(O)c1cccc2ccccc12
3.73	IUPAC digitized pKa	0	-1	O=C(O)c1cccc2ccccc12	O=C([O-])c1cccc2ccccc12	mol5698	O=C(O)c1cccc2ccccc12
4.27	IUPAC digitized pKa	0	-1	O=C(O)c1cccc2ccccc12	O=C([O-])c1cccc2ccccc12	mol5698	O=C(O)c1cccc2ccccc12
3.7	IUPAC digitized pKa	0	-1	O=C(O)c1cccc2ccccc12	O=C([O-])c1cccc2ccccc12	mol5698	O=C(O)c1cccc2ccccc12
3.542	IUPAC digitized pKa	0	-1	O=C(O)c1cccc2ccccc12	O=C([O-])c1cccc2ccccc12	mol5698	O=C(O)c1cccc2ccccc12
3.55	IUPAC digitized pKa	0	-1	O=C(O)c1cccc2ccccc12	O=C([O-])c1cccc2ccccc12	mol5698	O=C(O)c1cccc2ccccc12
3.628	IUPAC digitized pKa	0	-1	O=C(O)c1cccc2ccccc12	O=C([O-])c1cccc2ccccc12	mol5698	O=C(O)c1cccc2ccccc12
3.662	IUPAC digitized pKa	0	-1	O=C(O)c1cccc2ccccc12	O=C([O-])c1cccc2ccccc12	mol5698	O=C(O)c1cccc2ccccc12
3.673	IUPAC digitized pKa	0	-1	O=C(O)c1cccc2ccccc12	O=C([O-])c1cccc2ccccc12	mol5698	O=C(O)c1cccc2ccccc12
3.6	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)c1cccc2ccccc12	O=C([O-])c1cccc2ccccc12	mol5698	O=C(O)c1cccc2ccccc12
3.69	OCHEM	0	-1	O=C(O)c1cccc2ccccc12	O=C([O-])c1cccc2ccccc12	mol5698	O=C(O)c1cccc2ccccc12
3.6185	OCHEM	0	-1	O=C(O)c1cccc2ccccc12	O=C([O-])c1cccc2ccccc12	mol5698	O=C(O)c1cccc2ccccc12
3.59999990463257	QSARToolbox	0	-1	O=C(O)c1cccc2ccccc12	O=C([O-])c1cccc2ccccc12	mol5698	O=C(O)c1cccc2ccccc12
3.69000005722046	QSARToolbox	0	-1	O=C(O)c1cccc2ccccc12	O=C([O-])c1cccc2ccccc12	mol5698	O=C(O)c1cccc2ccccc12
3.59699988365173	QSARToolbox	0	-1	O=C(O)c1cccc2ccccc12	O=C([O-])c1cccc2ccccc12	mol5698	O=C(O)c1cccc2ccccc12
3.64000010490417	QSARToolbox	0	-1	O=C(O)c1cccc2ccccc12	O=C([O-])c1cccc2ccccc12	mol5698	O=C(O)c1cccc2ccccc12
3.70000004768372	QSARToolbox	0	-1	O=C(O)c1cccc2ccccc12	O=C([O-])c1cccc2ccccc12	mol5698	O=C(O)c1cccc2ccccc12