pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.24	AttenGpKa training set	0	-1	O=C(O)c1ccc(O)c(Cl)c1	O=C([O-])c1ccc(O)c(Cl)c1	mol10070	O=C(O)c1ccc(O)c(Cl)c1
7.52	IUPAC digitized pKa	-1	-2	O=C([O-])c1ccc(O)c(Cl)c1	O=C([O-])c1ccc([O-])c(Cl)c1	mol10070	O=C(O)c1ccc(O)c(Cl)c1
7.51999998092651	QSARToolbox	-1	-2	O=C([O-])c1ccc(O)c(Cl)c1	O=C([O-])c1ccc([O-])c(Cl)c1	mol10070	O=C(O)c1ccc(O)c(Cl)c1
7.89	AttenGpKa training set	-1	-2	O=C([O-])c1ccc(O)c(Cl)c1	O=C([O-])c1ccc([O-])c(Cl)c1	mol10070	O=C(O)c1ccc(O)c(Cl)c1