pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.08	OCHEM	0	-1	COC(=O)C(CCCCCC(=O)O)(c1ccccc1)c1ccccc1	COC(=O)C(CCCCCC(=O)[O-])(c1ccccc1)c1ccccc1	mol33073	COC(=O)C(CCCCCC(=O)O)(c1ccccc1)c1ccccc1
5.07999992370606	QSARToolbox	0	-1	COC(=O)C(CCCCCC(=O)O)(c1ccccc1)c1ccccc1	COC(=O)C(CCCCCC(=O)[O-])(c1ccccc1)c1ccccc1	mol33073	COC(=O)C(CCCCCC(=O)O)(c1ccccc1)c1ccccc1
5.80000019073486	QSARToolbox	0	-1	COC(=O)C(CCCCCC(=O)O)(c1ccccc1)c1ccccc1	COC(=O)C(CCCCCC(=O)[O-])(c1ccccc1)c1ccccc1	mol33073	COC(=O)C(CCCCCC(=O)O)(c1ccccc1)c1ccccc1