pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.14	AttenGpKa training set	0	-1	COC(=O)c1ccc(C(=O)O)c(NC(C)=O)c1	COC(=O)c1ccc(C(=O)[O-])c(NC(C)=O)c1	mol23029	COC(=O)c1ccc(C(=O)O)c(NC(C)=O)c1