pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.89	Datawarrior	0	-1	O=C(O)C1c2ccccc2Oc2ccccc21	O=C([O-])C1c2ccccc2Oc2ccccc21	mol15277	O=C(O)C1c2ccccc2Oc2ccccc21
3.8900001	OCHEM	0	-1	O=C(O)C1c2ccccc2Oc2ccccc21	O=C([O-])C1c2ccccc2Oc2ccccc21	mol15277	O=C(O)C1c2ccccc2Oc2ccccc21
3.85	AttenGpKa training set	0	-1	O=C(O)C1c2ccccc2Oc2ccccc21	O=C([O-])C1c2ccccc2Oc2ccccc21	mol15277	O=C(O)C1c2ccccc2Oc2ccccc21