pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-4.53	Baltruschat ChEMBL	1	0	O=[N+]([O-])C1=Cc2ccccc2O[C@H]1[NH2+]c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	O=[N+]([O-])C1=Cc2ccccc2O[C@H]1Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	mol19492	O=[N+]([O-])C1=Cc2ccccc2OC1Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1