pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.41	AttenGpKa training set	0	-1	Cc1ccccc1[NH2+][C@@H](C)C(=O)[O-],Cc1ccccc1N[C@@H](C)C(=O)O	Cc1ccccc1N[C@@H](C)C(=O)[O-]	mol23344	Cc1ccccc1NC(C)C(=O)O