pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-3.15	Datawarrior	2	1	O=[N+]([O-])c1ccc(/C=C/c2[nH+][nH+]nn2-c2ccc([N+](=O)[O-])cc2)cc1,O=[N+]([O-])c1ccc(/C=C/c2n[nH+][nH+]n2-c2ccc([N+](=O)[O-])cc2)cc1,O=[N+]([O-])c1ccc(/C=C/c2[nH+]n[nH+]n2-c2ccc([N+](=O)[O-])cc2)cc1	O=[N+]([O-])c1ccc(/C=C/c2[nH+]nnn2-c2ccc([N+](=O)[O-])cc2)cc1,O=[N+]([O-])c1ccc(/C=C/c2n[nH+]nn2-c2ccc([N+](=O)[O-])cc2)cc1,O=[N+]([O-])c1ccc(/C=C/c2nn[nH+]n2-c2ccc([N+](=O)[O-])cc2)cc1	mol15341	O=[N+]([O-])c1ccc(/C=C/c2nnnn2-c2ccc([N+](=O)[O-])cc2)cc1