pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.91	AttenGpKa training set	0	-1	Cc1cc([N+](=O)[O-])cc(CP(=O)(O)O)c1O	Cc1cc([N+](=O)[O-])cc(CP(=O)([O-])O)c1O	mol29015	Cc1cc([N+](=O)[O-])cc(CP(=O)(O)O)c1O
5.98	AttenGpKa training set	-1	-2	Cc1cc([N+](=O)[O-])cc(CP(=O)([O-])O)c1O	Cc1cc([N+](=O)[O-])cc(CP(=O)([O-])[O-])c1O	mol29015	Cc1cc([N+](=O)[O-])cc(CP(=O)(O)O)c1O
9.59	AttenGpKa training set	-2	-3	Cc1cc([N+](=O)[O-])cc(CP(=O)([O-])[O-])c1O	Cc1cc([N+](=O)[O-])cc(CP(=O)([O-])[O-])c1[O-]	mol29015	Cc1cc([N+](=O)[O-])cc(CP(=O)(O)O)c1O