pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.44	OCHEM	0	-1	O=C(Nc1ccc([N+](=O)[O-])cc1C(=O)O)c1cccc(S(=O)(=O)N2CCOCC2)c1	O=C(Nc1ccc([N+](=O)[O-])cc1C(=O)[O-])c1cccc(S(=O)(=O)N2CCOCC2)c1	mol20929	O=C(Nc1ccc([N+](=O)[O-])cc1C(=O)O)c1cccc(S(=O)(=O)N2CCOCC2)c1