pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.7	AttenGpKa training set	0	-1	O=C(NCCC[C@@H](NC(=O)c1ccccc1)C(=O)O)c1ccccc1	O=C(NCCC[C@@H](NC(=O)c1ccccc1)C(=O)[O-])c1ccccc1	mol23689	O=C(NCCC[C@@H](NC(=O)c1ccccc1)C(=O)O)c1ccccc1