pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.64	IUPAC digitized pKa	1	0	Fc1c[nH+]c2ccccc2c1	Fc1cnc2ccccc2c1	mol4416	Fc1cnc2ccccc2c1
2.75	IUPAC digitized pKa	1	0	Fc1c[nH+]c2ccccc2c1	Fc1cnc2ccccc2c1	mol4416	Fc1cnc2ccccc2c1
2.695	OCHEM	1	0	Fc1c[nH+]c2ccccc2c1	Fc1cnc2ccccc2c1	mol4416	Fc1cnc2ccccc2c1
2.36	Baltruschat ChEMBL	1	0	Fc1c[nH+]c2ccccc2c1	Fc1cnc2ccccc2c1	mol4416	Fc1cnc2ccccc2c1
2.64000010490417	QSARToolbox	1	0	Fc1c[nH+]c2ccccc2c1	Fc1cnc2ccccc2c1	mol4416	Fc1cnc2ccccc2c1
2.46	AttenGpKa training set	1	0	Fc1c[nH+]c2ccccc2c1	Fc1cnc2ccccc2c1	mol4416	Fc1cnc2ccccc2c1