pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.52	Datawarrior	0	-1	O=C(O)C1c2ccccc2-c2ccccc21	O=C([O-])C1c2ccccc2-c2ccccc21	mol14482	O=C(O)C1c2ccccc2-c2ccccc21
2.01	OCHEM	0	-1	O=C(O)C1c2ccccc2-c2ccccc21	O=C([O-])C1c2ccccc2-c2ccccc21	mol14482	O=C(O)C1c2ccccc2-c2ccccc21
3.4300000667572	QSARToolbox	0	-1	O=C(O)C1c2ccccc2-c2ccccc21	O=C([O-])C1c2ccccc2-c2ccccc21	mol14482	O=C(O)C1c2ccccc2-c2ccccc21
3.60999989509583	QSARToolbox	0	-1	O=C(O)C1c2ccccc2-c2ccccc21	O=C([O-])C1c2ccccc2-c2ccccc21	mol14482	O=C(O)C1c2ccccc2-c2ccccc21