pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.59	OCHEM	0	-1	C[C@@H]1CCC[C@H]([C@@H](C)C(=O)O)C1	C[C@@H]1CCC[C@H]([C@@H](C)C(=O)[O-])C1	mol31891	CC(C(=O)O)C1CCC[C@@H](C)C1
4.59000015258789	QSARToolbox	0	-1	C[C@@H]1CCC[C@H]([C@@H](C)C(=O)O)C1	C[C@@H]1CCC[C@H]([C@@H](C)C(=O)[O-])C1	mol31891	CC(C(=O)O)C1CCC[C@@H](C)C1