pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.85	Datawarrior	0	-1	O=C(O)[C@H]1[C@H]2CC[C@@H]1CC2	O=C([O-])[C@H]1[C@H]2CC[C@@H]1CC2	mol13144	O=C(O)C1C2CCC1CC2
4.8499999	OCHEM	0	-1	O=C(O)[C@H]1[C@H]2CC[C@@H]1CC2	O=C([O-])[C@H]1[C@H]2CC[C@@H]1CC2	mol13144	O=C(O)C1C2CCC1CC2
4.84999990463257	QSARToolbox	0	-1	O=C(O)[C@H]1[C@H]2CC[C@@H]1CC2	O=C([O-])[C@H]1[C@H]2CC[C@@H]1CC2	mol13144	O=C(O)C1C2CCC1CC2