pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.78	IUPAC digitized pKa	1	0	Cn1ccc2cccc(=[OH+])c-2c1	Cn1ccc2cccc(=O)c-2c1	mol4330	Cn1ccc2cccc(=O)c-2c1
5.99	AttenGpKa training set	1	0	Cn1ccc2cccc(=[OH+])c-2c1	Cn1ccc2cccc(=O)c-2c1	mol4330	Cn1ccc2cccc(=O)c-2c1