pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.4	AttenGpKa training set	0	-1	CCO[P@](=O)([O-])O[C@H]1C[C@H](N2C=N[C@H]3C(=O)NC(N)=[NH+][C@H]32)O[C@@H]1CO,CCO[P@](=O)([O-])O[C@H]1C[C@H](N2C=[NH+][C@H]3C(=O)NC(N)=N[C@H]32)O[C@@H]1CO	CCO[P@](=O)([O-])O[C@H]1C[C@H](N2C=N[C@H]3C(=O)NC(N)=N[C@H]32)O[C@@H]1CO	mol29975	CCOP(=O)(O)O[C@H]1C[C@H](N2C=NC3C(=O)NC(N)=NC32)O[C@@H]1CO