pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.4	AttenGpKa training set	0	-1	O=P(O)(O)OC[C@@H](O)CO	O=P([O-])(O)OC[C@@H](O)CO	mol9081	O=P(O)(O)OCC(O)CO
6.656	IUPAC digitized pKa	-1	-2	O=P([O-])(O)OC[C@@H](O)CO	O=P([O-])([O-])OC[C@@H](O)CO	mol9081	O=P(O)(O)OCC(O)CO
6.07	IUPAC digitized pKa	-1	-2	O=P([O-])(O)OC[C@@H](O)CO	O=P([O-])([O-])OC[C@@H](O)CO	mol9081	O=P(O)(O)OCC(O)CO
6.642	IUPAC digitized pKa	-1	-2	O=P([O-])(O)OC[C@@H](O)CO	O=P([O-])([O-])OC[C@@H](O)CO	mol9081	O=P(O)(O)OCC(O)CO
6.641	IUPAC digitized pKa	-1	-2	O=P([O-])(O)OC[C@@H](O)CO	O=P([O-])([O-])OC[C@@H](O)CO	mol9081	O=P(O)(O)OCC(O)CO
6.643	IUPAC digitized pKa	-1	-2	O=P([O-])(O)OC[C@@H](O)CO	O=P([O-])([O-])OC[C@@H](O)CO	mol9081	O=P(O)(O)OCC(O)CO
6.648	IUPAC digitized pKa	-1	-2	O=P([O-])(O)OC[C@@H](O)CO	O=P([O-])([O-])OC[C@@H](O)CO	mol9081	O=P(O)(O)OCC(O)CO
6.667	IUPAC digitized pKa	-1	-2	O=P([O-])(O)OC[C@@H](O)CO	O=P([O-])([O-])OC[C@@H](O)CO	mol9081	O=P(O)(O)OCC(O)CO
6.679	IUPAC digitized pKa	-1	-2	O=P([O-])(O)OC[C@@H](O)CO	O=P([O-])([O-])OC[C@@H](O)CO	mol9081	O=P(O)(O)OCC(O)CO
6.685	IUPAC digitized pKa	-1	-2	O=P([O-])(O)OC[C@@H](O)CO	O=P([O-])([O-])OC[C@@H](O)CO	mol9081	O=P(O)(O)OCC(O)CO
6.694	IUPAC digitized pKa	-1	-2	O=P([O-])(O)OC[C@@H](O)CO	O=P([O-])([O-])OC[C@@H](O)CO	mol9081	O=P(O)(O)OCC(O)CO
6.713	IUPAC digitized pKa	-1	-2	O=P([O-])(O)OC[C@@H](O)CO	O=P([O-])([O-])OC[C@@H](O)CO	mol9081	O=P(O)(O)OCC(O)CO
6.733	IUPAC digitized pKa	-1	-2	O=P([O-])(O)OC[C@@H](O)CO	O=P([O-])([O-])OC[C@@H](O)CO	mol9081	O=P(O)(O)OCC(O)CO
6.73000001907349	QSARToolbox	-1	-2	O=P([O-])(O)OC[C@@H](O)CO	O=P([O-])([O-])OC[C@@H](O)CO	mol9081	O=P(O)(O)OCC(O)CO
6.23000001907349	QSARToolbox	-1	-2	O=P([O-])(O)OC[C@@H](O)CO	O=P([O-])([O-])OC[C@@H](O)CO	mol9081	O=P(O)(O)OCC(O)CO
6.39	AttenGpKa training set	-1	-2	O=P([O-])(O)OC[C@@H](O)CO	O=P([O-])([O-])OC[C@@H](O)CO	mol9081	O=P(O)(O)OCC(O)CO