pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.81	OCHEM	0	-1	C[C@H]1CCC[C@@H](OCC(=O)O)C1	C[C@H]1CCC[C@@H](OCC(=O)[O-])C1	mol33005	CC1CCCC(OCC(=O)O)C1
3.80999994277954	QSARToolbox	0	-1	C[C@H]1CCC[C@@H](OCC(=O)O)C1	C[C@H]1CCC[C@@H](OCC(=O)[O-])C1	mol33005	CC1CCCC(OCC(=O)O)C1