pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-7.83	AttenGpKa training set	1	0	O=[N+]([O-])c1cc([N+](=O)[O-])c([NH2+]CCC(Br)([N+](=O)[O-])[N+](=O)[O-])c([N+](=O)[O-])c1	O=[N+]([O-])c1cc([N+](=O)[O-])c(NCCC(Br)([N+](=O)[O-])[N+](=O)[O-])c([N+](=O)[O-])c1	mol24244	O=[N+]([O-])c1cc([N+](=O)[O-])c(NCCC(Br)([N+](=O)[O-])[N+](=O)[O-])c([N+](=O)[O-])c1