pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.61	AttenGpKa training set	0	-1	NC(=O)SCC(=O)O	NC(=O)SCC(=O)[O-]	mol22262	NC(=O)SCC(=O)O