pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.94	AttenGpKa training set	0	-1	[NH3+][C@H](Cc1ccccc1CI)C(=O)[O-]	N[C@H](Cc1ccccc1CI)C(=O)[O-]	mol29353	NC(Cc1ccccc1CI)C(=O)O
2.23	AttenGpKa training set	1	0	[NH3+][C@H](Cc1ccccc1CI)C(=O)O	[NH3+][C@H](Cc1ccccc1CI)C(=O)[O-]	mol29353	NC(Cc1ccccc1CI)C(=O)O