pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-0.73	Datawarrior	1	0	O=[N+]([O-])c1cc2c[nH+][nH]c2cc1[N+](=O)[O-]	O=[N+]([O-])c1cc2cn[nH]c2cc1[N+](=O)[O-]	mol15695	O=[N+]([O-])c1cc2cn[nH]c2cc1[N+](=O)[O-]
-0.73000002	OCHEM	1	0	O=[N+]([O-])c1cc2c[nH+][nH]c2cc1[N+](=O)[O-]	O=[N+]([O-])c1cc2cn[nH]c2cc1[N+](=O)[O-]	mol15695	O=[N+]([O-])c1cc2cn[nH]c2cc1[N+](=O)[O-]
-0.89	AttenGpKa training set	1	0	O=[N+]([O-])c1cc2c[nH+][nH]c2cc1[N+](=O)[O-]	O=[N+]([O-])c1cc2cn[nH]c2cc1[N+](=O)[O-]	mol15695	O=[N+]([O-])c1cc2cn[nH]c2cc1[N+](=O)[O-]