pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.0	OCHEM	0	-1	COC(=O)C(CCCCC(=O)O)(c1ccccc1)c1ccccc1	COC(=O)C(CCCCC(=O)[O-])(c1ccccc1)c1ccccc1	mol33071	COC(=O)C(CCCCC(=O)O)(c1ccccc1)c1ccccc1
4.96999979019165	QSARToolbox	0	-1	COC(=O)C(CCCCC(=O)O)(c1ccccc1)c1ccccc1	COC(=O)C(CCCCC(=O)[O-])(c1ccccc1)c1ccccc1	mol33071	COC(=O)C(CCCCC(=O)O)(c1ccccc1)c1ccccc1