pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.81	AttenGpKa training set	1	0	CCc1c(O)c(O)cc[n+]1CC	CCc1c([O-])c(O)cc[n+]1CC,CCc1c(O)c([O-])cc[n+]1CC	mol25091	CCc1c(O)c(O)cc[n+]1CC