pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.86	Baltruschat ChEMBL	1	0	CN1C[C@@H](C(=O)Nc2ccccc2)C(=[OH+])C1=O,CN1C[C@@H](C(=O)Nc2ccccc2)C(=O)C1=[OH+]	CN1C[C@@H](C(=O)Nc2ccccc2)C(=O)C1=O	mol16998	CN1CC(C(=O)Nc2ccccc2)C(=O)C1=O