pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.299	IUPAC digitized pKa	0	-1	O=C(O)c1cc(I)cc(I)c1O	O=C([O-])c1cc(I)cc(I)c1O	mol738	O=C(O)c1cc(I)cc(I)c1O
2.288	IUPAC digitized pKa	0	-1	O=C(O)c1cc(I)cc(I)c1O	O=C([O-])c1cc(I)cc(I)c1O	mol738	O=C(O)c1cc(I)cc(I)c1O
2.279	IUPAC digitized pKa	0	-1	O=C(O)c1cc(I)cc(I)c1O	O=C([O-])c1cc(I)cc(I)c1O	mol738	O=C(O)c1cc(I)cc(I)c1O
2.273	IUPAC digitized pKa	0	-1	O=C(O)c1cc(I)cc(I)c1O	O=C([O-])c1cc(I)cc(I)c1O	mol738	O=C(O)c1cc(I)cc(I)c1O
2.3	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)c1cc(I)cc(I)c1O	O=C([O-])c1cc(I)cc(I)c1O	mol738	O=C(O)c1cc(I)cc(I)c1O
5.47	OCHEM	0	-1	O=C(O)c1cc(I)cc(I)c1O	O=C([O-])c1cc(I)cc(I)c1O	mol738	O=C(O)c1cc(I)cc(I)c1O
2.33	OCHEM	0	-1	O=C(O)c1cc(I)cc(I)c1O	O=C([O-])c1cc(I)cc(I)c1O	mol738	O=C(O)c1cc(I)cc(I)c1O
2.29999995231628	QSARToolbox	0	-1	O=C(O)c1cc(I)cc(I)c1O	O=C([O-])c1cc(I)cc(I)c1O	mol738	O=C(O)c1cc(I)cc(I)c1O
2.29900002479553	QSARToolbox	0	-1	O=C(O)c1cc(I)cc(I)c1O	O=C([O-])c1cc(I)cc(I)c1O	mol738	O=C(O)c1cc(I)cc(I)c1O