pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.45	OCHEM	0	-1	O=C(O)C1(C(=O)O)CCCCC1	O=C([O-])C1(C(=O)O)CCCCC1	mol31683	O=C(O)C1(C(=O)O)CCCCC1
3.75	OCHEM	0	-1	O=C(O)C1(C(=O)O)CCCCC1	O=C([O-])C1(C(=O)O)CCCCC1	mol31683	O=C(O)C1(C(=O)O)CCCCC1
3.45000004768372	QSARToolbox	0	-1	O=C(O)C1(C(=O)O)CCCCC1	O=C([O-])C1(C(=O)O)CCCCC1	mol31683	O=C(O)C1(C(=O)O)CCCCC1
3.5	QSARToolbox	0	-1	O=C(O)C1(C(=O)O)CCCCC1	O=C([O-])C1(C(=O)O)CCCCC1	mol31683	O=C(O)C1(C(=O)O)CCCCC1
4.1100001335144	QSARToolbox	0	-1	O=C(O)C1(C(=O)O)CCCCC1	O=C([O-])C1(C(=O)O)CCCCC1	mol31683	O=C(O)C1(C(=O)O)CCCCC1