pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.82	AttenGpKa training set	0	-1	Cc1cc(CP(=O)(O)O)c(O)c([N+](=O)[O-])c1	Cc1cc(CP(=O)([O-])O)c(O)c([N+](=O)[O-])c1	mol29016	Cc1cc(CP(=O)(O)O)c(O)c([N+](=O)[O-])c1
6.61	AttenGpKa training set	-1	-2	Cc1cc(CP(=O)([O-])O)c(O)c([N+](=O)[O-])c1	Cc1cc(CP(=O)([O-])[O-])c(O)c([N+](=O)[O-])c1	mol29016	Cc1cc(CP(=O)(O)O)c(O)c([N+](=O)[O-])c1
9.04	AttenGpKa training set	-2	-3	Cc1cc(CP(=O)([O-])[O-])c(O)c([N+](=O)[O-])c1	Cc1cc(CP(=O)([O-])[O-])c([O-])c([N+](=O)[O-])c1	mol29016	Cc1cc(CP(=O)(O)O)c(O)c([N+](=O)[O-])c1