pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.71	OCHEM	1	0	COc1ccc(C(=O)n2c(-c3ccccc3[N+](=O)[O-])[nH+]c3ccccc32)cc1	COc1ccc(C(=O)n2c(-c3ccccc3[N+](=O)[O-])nc3ccccc32)cc1	mol17578	COc1ccc(C(=O)n2c(-c3ccccc3[N+](=O)[O-])nc3ccccc32)cc1