pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.38	Datawarrior	0	-1	COc1cc(C)ccc1C(=O)O	COc1cc(C)ccc1C(=O)[O-]	mol10876	COc1cc(C)ccc1C(=O)O
4.3800001	OCHEM	0	-1	COc1cc(C)ccc1C(=O)O	COc1cc(C)ccc1C(=O)[O-]	mol10876	COc1cc(C)ccc1C(=O)O
4.38000011444092	QSARToolbox	0	-1	COc1cc(C)ccc1C(=O)O	COc1cc(C)ccc1C(=O)[O-]	mol10876	COc1cc(C)ccc1C(=O)O
4.39	AttenGpKa training set	0	-1	COc1cc(C)ccc1C(=O)O	COc1cc(C)ccc1C(=O)[O-]	mol10876	COc1cc(C)ccc1C(=O)O