pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.05	OCHEM	1	0	COc1cc(Nc2c3ccccc3[nH+]c3c([N+](=O)[O-])cccc23)ccc1NS(C)(=O)=O,COc1cc([NH2+]c2c3ccccc3nc3c([N+](=O)[O-])cccc23)ccc1NS(C)(=O)=O,COc1cc(Nc2c3ccccc3nc3c([N+](=O)[O-])cccc23)ccc1[NH2+]S(C)(=O)=O	COc1cc(Nc2c3ccccc3nc3c([N+](=O)[O-])cccc23)ccc1NS(C)(=O)=O	mol21606	COc1cc(Nc2c3ccccc3nc3c([N+](=O)[O-])cccc23)ccc1NS(C)(=O)=O