pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.22	OCHEM	0	-1	O=C(O)CCC(CC(=O)O)(c1ccccc1)c1ccccc1	O=C([O-])CCC(CC(=O)O)(c1ccccc1)c1ccccc1,O=C([O-])CC(CCC(=O)O)(c1ccccc1)c1ccccc1	mol31719	O=C(O)CCC(CC(=O)O)(c1ccccc1)c1ccccc1