pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.38	Datawarrior	0	-1	O=C(O)[C@H]1CCc2ccccc2O1	O=C([O-])[C@H]1CCc2ccccc2O1	mol13732	O=C(O)C1CCc2ccccc2O1
3.3800001	OCHEM	0	-1	O=C(O)[C@H]1CCc2ccccc2O1	O=C([O-])[C@H]1CCc2ccccc2O1	mol13732	O=C(O)C1CCc2ccccc2O1
3.38000011444092	QSARToolbox	0	-1	O=C(O)[C@H]1CCc2ccccc2O1	O=C([O-])[C@H]1CCc2ccccc2O1	mol13732	O=C(O)C1CCc2ccccc2O1