pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.94	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)C(c1ccccc1)c1ccccc1	O=C([O-])C(c1ccccc1)c1ccccc1	mol1134	O=C(O)C(c1ccccc1)c1ccccc1
3.94000005722046	QSARToolbox	0	-1	O=C(O)C(c1ccccc1)c1ccccc1	O=C([O-])C(c1ccccc1)c1ccccc1	mol1134	O=C(O)C(c1ccccc1)c1ccccc1
3.92	AttenGpKa training set	0	-1	O=C(O)C(c1ccccc1)c1ccccc1	O=C([O-])C(c1ccccc1)c1ccccc1	mol1134	O=C(O)C(c1ccccc1)c1ccccc1