pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.1	AttenGpKa training set	0	-1	COC(=O)c1ccc(O[P@@](=O)(O)O[P@](=O)(O)Oc2ccc(C(=O)OC)cc2)cc1	COC(=O)c1ccc(O[P@@](=O)([O-])O[P@](=O)(O)Oc2ccc(C(=O)OC)cc2)cc1	mol29066	COC(=O)c1ccc(OP(=O)(O)OP(=O)(O)Oc2ccc(C(=O)OC)cc2)cc1