pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.9	AttenGpKa training set	-1	-2	[NH3+][C@@H](Cc1c(F)c(F)c(CP(=O)([O-])O)c(F)c1F)C(=O)[O-]	[NH3+][C@@H](Cc1c(F)c(F)c(CP(=O)([O-])[O-])c(F)c1F)C(=O)[O-]	mol29058	N[C@@H](Cc1c(F)c(F)c(CP(=O)(O)O)c(F)c1F)C(=O)O