pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.31	IUPAC digitized pKa	1	0	Fc1ccc2[nH+]cccc2c1	Fc1ccc2ncccc2c1	mol4418	Fc1ccc2ncccc2c1
4.25	IUPAC digitized pKa	1	0	Fc1ccc2[nH+]cccc2c1	Fc1ccc2ncccc2c1	mol4418	Fc1ccc2ncccc2c1
4.28	OCHEM	1	0	Fc1ccc2[nH+]cccc2c1	Fc1ccc2ncccc2c1	mol4418	Fc1ccc2ncccc2c1
4.0	Baltruschat ChEMBL	1	0	Fc1ccc2[nH+]cccc2c1	Fc1ccc2ncccc2c1	mol4418	Fc1ccc2ncccc2c1
4.30999994277954	QSARToolbox	1	0	Fc1ccc2[nH+]cccc2c1	Fc1ccc2ncccc2c1	mol4418	Fc1ccc2ncccc2c1
4.1	AttenGpKa training set	1	0	Fc1ccc2[nH+]cccc2c1	Fc1ccc2ncccc2c1	mol4418	Fc1ccc2ncccc2c1