pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-6.52	AttenGpKa training set	1	0	O=[N+]([O-])c1cc([N+](=O)[O-])c([NH2+]CCCO)c([N+](=O)[O-])c1	O=[N+]([O-])c1cc([N+](=O)[O-])c(NCCCO)c([N+](=O)[O-])c1	mol24144	O=[N+]([O-])c1cc([N+](=O)[O-])c(NCCCO)c([N+](=O)[O-])c1