pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.14	Organic Oxygen Acids and Nitrogen Bases	0	-1	COc1cccc(OCC(=O)O)c1	COc1cccc(OCC(=O)[O-])c1	mol21768	COc1cccc(OCC(=O)O)c1
3.14000010490417	QSARToolbox	0	-1	COc1cccc(OCC(=O)O)c1	COc1cccc(OCC(=O)[O-])c1	mol21768	COc1cccc(OCC(=O)O)c1