pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.5	AttenGpKa training set	1	0	CON(C)c1cc[n+](O)c2ccccc12	CON(C)c1cc[n+]([O-])c2ccccc12	mol25198	CON(C)c1cc[n+](O)c2ccccc12