pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.4	AttenGpKa training set	1	0	CNc1cc[n+](O)c2ccccc12	CNc1cc[n+]([O-])c2ccccc12	mol25189	CNc1cc[n+](O)c2ccccc12