pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.13	OCHEM	0	-1	O=C(O)C1(C(=O)O)CCC1	O=C([O-])C1(C(=O)O)CCC1	mol31682	O=C(O)C1(C(=O)O)CCC1
3.43	OCHEM	0	-1	O=C(O)C1(C(=O)O)CCC1	O=C([O-])C1(C(=O)O)CCC1	mol31682	O=C(O)C1(C(=O)O)CCC1
3.16000008583069	QSARToolbox	0	-1	O=C(O)C1(C(=O)O)CCC1	O=C([O-])C1(C(=O)O)CCC1	mol31682	O=C(O)C1(C(=O)O)CCC1
5.6	OCHEM	-1	-2	O=C([O-])C1(C(=O)O)CCC1	O=C([O-])C1(C(=O)[O-])CCC1	mol31682	O=C(O)C1(C(=O)O)CCC1