pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.63	Datawarrior	0	-1	O=C(O)[C@@H]1CCCc2ccccc2O1	O=C([O-])[C@@H]1CCCc2ccccc2O1	mol13354	O=C(O)C1CCCc2ccccc2O1
3.6300001	OCHEM	0	-1	O=C(O)[C@@H]1CCCc2ccccc2O1	O=C([O-])[C@@H]1CCCc2ccccc2O1	mol13354	O=C(O)C1CCCc2ccccc2O1
3.63000011444092	QSARToolbox	0	-1	O=C(O)[C@@H]1CCCc2ccccc2O1	O=C([O-])[C@@H]1CCCc2ccccc2O1	mol13354	O=C(O)C1CCCc2ccccc2O1