pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.6	Datawarrior	0	-1	O=C(O)[C@@H]1CCC[C@H](O)C1	O=C([O-])[C@@H]1CCC[C@H](O)C1	mol12935	O=C(O)[C@@H]1CCC[C@H](O)C1
4.59999990463257	QSARToolbox	0	-1	O=C(O)[C@@H]1CCC[C@H](O)C1	O=C([O-])[C@@H]1CCC[C@H](O)C1	mol12935	O=C(O)[C@@H]1CCC[C@H](O)C1