pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.3	AttenGpKa training set	1	0	CC(=O)c1ccc(NC(C)=[OH+])cc1,CC(=O)Nc1ccc(C(C)=[OH+])cc1	CC(=O)Nc1ccc(C(C)=O)cc1	mol23805	CC(=O)Nc1ccc(C(C)=O)cc1