pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.58	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)c1ccc(F)cc1F	O=C([O-])c1ccc(F)cc1F	mol21741	O=C(O)c1ccc(F)cc1F
3.57999992370605	QSARToolbox	0	-1	O=C(O)c1ccc(F)cc1F	O=C([O-])c1ccc(F)cc1F	mol21741	O=C(O)c1ccc(F)cc1F
3.28999996185303	QSARToolbox	0	-1	O=C(O)c1ccc(F)cc1F	O=C([O-])c1ccc(F)cc1F	mol21741	O=C(O)c1ccc(F)cc1F
3.29	AttenGpKa training set	0	-1	O=C(O)c1ccc(F)cc1F	O=C([O-])c1ccc(F)cc1F	mol21741	O=C(O)c1ccc(F)cc1F