pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
14.79	Baltruschat ChEMBL	-1	-2	CCOc1cc(CC(=O)N[C@@H](CC(C)C)c2ccccc2N2CCCCC2)ccc1C(=O)[O-]	CCOc1cc(CC(=O)[N-][C@@H](CC(C)C)c2ccccc2N2CCCCC2)ccc1C(=O)[O-],CCOc1cc([CH-]C(=O)N[C@@H](CC(C)C)c2ccccc2N2CCCCC2)ccc1C(=O)[O-]	mol20870	CCOc1cc(CC(=O)N[C@@H](CC(C)C)c2ccccc2N2CCCCC2)ccc1C(=O)O