pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.6	Organic Oxygen Acids and Nitrogen Bases	0	-1	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	[O-]c1ccc(Cl)cc1Cc1cc(Cl)ccc1O	mol1424	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O
7.9	OCHEM	0	-1	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	[O-]c1ccc(Cl)cc1Cc1cc(Cl)ccc1O	mol1424	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O
7.59999990463257	QSARToolbox	0	-1	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O	[O-]c1ccc(Cl)cc1Cc1cc(Cl)ccc1O	mol1424	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O
9.3	Baltruschat ChEMBL	-1	-2	[O-]c1ccc(Cl)cc1Cc1cc(Cl)ccc1O	[O-]c1ccc(Cl)cc1Cc1cc(Cl)ccc1[O-]	mol1424	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O
11.5	QSARToolbox	-1	-2	[O-]c1ccc(Cl)cc1Cc1cc(Cl)ccc1O	[O-]c1ccc(Cl)cc1Cc1cc(Cl)ccc1[O-]	mol1424	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O
9.08	AttenGpKa training set	-1	-2	[O-]c1ccc(Cl)cc1Cc1cc(Cl)ccc1O	[O-]c1ccc(Cl)cc1Cc1cc(Cl)ccc1[O-]	mol1424	Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O