pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.98	AttenGpKa training set	0	-1	[NH3+][C@@H]1[C@@H](O)[C@H](O)[C@@H](COP(=O)([O-])O)O[C@@H]1O	[NH3+][C@@H]1[C@@H](O)[C@H](O)[C@@H](COP(=O)([O-])[O-])O[C@@H]1O	mol29025	N[C@H]1C(O)O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O
8.06	AttenGpKa training set	-1	-2	[NH3+][C@@H]1[C@@H](O)[C@H](O)[C@@H](COP(=O)([O-])[O-])O[C@@H]1O	N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COP(=O)([O-])[O-])O[C@@H]1O	mol29025	N[C@H]1C(O)O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O