pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.3999996185303	QSARToolbox	0	-1	COC(=O)C(OO)(c1ccccc1)c1ccccc1	COC(=O)C(O[O-])(c1ccccc1)c1ccccc1	mol31382	COC(=O)C(OO)(c1ccccc1)c1ccccc1
12.4	AttenGpKa training set	0	-1	COC(=O)C(OO)(c1ccccc1)c1ccccc1	COC(=O)C(O[O-])(c1ccccc1)c1ccccc1	mol31382	COC(=O)C(OO)(c1ccccc1)c1ccccc1