pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.51	Baltruschat ChEMBL	1	0	CN1C[C@@H](C(=[OH+])Nc2ccc(Cl)cc2)C(=O)C1=O,CN1C[C@@H](C(=O)Nc2ccc(Cl)cc2)C(=O)C1=[OH+],CN1C[C@@H](C(=O)Nc2ccc(Cl)cc2)C(=[OH+])C1=O	CN1C[C@@H](C(=O)Nc2ccc(Cl)cc2)C(=O)C1=O	mol17000	CN1CC(C(=O)Nc2ccc(Cl)cc2)C(=O)C1=O