pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.4	Datawarrior	0	-1	O=C(O)C[C@@H](O)c1ccccc1	O=C([O-])C[C@@H](O)c1ccccc1	mol12556	O=C(O)CC(O)c1ccccc1
4.4000001	OCHEM	0	-1	O=C(O)C[C@@H](O)c1ccccc1	O=C([O-])C[C@@H](O)c1ccccc1	mol12556	O=C(O)CC(O)c1ccccc1
4.39	OCHEM	0	-1	O=C(O)C[C@@H](O)c1ccccc1	O=C([O-])C[C@@H](O)c1ccccc1	mol12556	O=C(O)CC(O)c1ccccc1
4.40000009536743	QSARToolbox	0	-1	O=C(O)C[C@@H](O)c1ccccc1	O=C([O-])C[C@@H](O)c1ccccc1	mol12556	O=C(O)CC(O)c1ccccc1