pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.29	Datawarrior	0	-1	O=C(O)[C@H](c1ccc(-c2ccccc2)cc1)[C@@H](O)Cc1ccccc1	O=C([O-])[C@H](c1ccc(-c2ccccc2)cc1)[C@@H](O)Cc1ccccc1	mol15320	O=C(O)C(c1ccc(-c2ccccc2)cc1)C(O)Cc1ccccc1
4.28999996185303	QSARToolbox	0	-1	O=C(O)[C@H](c1ccc(-c2ccccc2)cc1)[C@@H](O)Cc1ccccc1	O=C([O-])[C@H](c1ccc(-c2ccccc2)cc1)[C@@H](O)Cc1ccccc1	mol15320	O=C(O)C(c1ccc(-c2ccccc2)cc1)C(O)Cc1ccccc1