pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.9	Baltruschat ChEMBL	0	-1	Cc1ccc2cccc(OS(=O)(=O)CCCNC(=O)[C@@H](N)CC(C)C)c2n1	Cc1ccc2cccc(OS(=O)(=O)CCC[N-]C(=O)[C@@H](N)CC(C)C)c2n1	mol18810	Cc1ccc2cccc(OS(=O)(=O)CCCNC(=O)[C@@H](N)CC(C)C)c2n1