pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.100000001490116	QSARToolbox	2	1	O=[N+]([O-])c1ccc(N/[NH+]=C/c2nccc3ccccc23)[nH+]c1,O=[N+]([O-])c1ccc([NH2+]/N=C/c2nccc3ccccc23)[nH+]c1,O=[N+]([O-])c1ccc(N/N=C/c2[nH+]ccc3ccccc23)[nH+]c1,O=[N+]([O-])c1ccc([NH2+]/[NH+]=C/c2nccc3ccccc23)nc1	O=[N+]([O-])c1ccc([NH2+]/N=C/c2nccc3ccccc23)nc1,O=[N+]([O-])c1ccc(N/[NH+]=C/c2nccc3ccccc23)nc1,O=[N+]([O-])c1ccc(N/N=C/c2[nH+]ccc3ccccc23)nc1,O=[N+]([O-])c1ccc(N/N=C/c2nccc3ccccc23)[nH+]c1	mol35930	O=[N+]([O-])c1ccc(N/N=C/c2nccc3ccccc23)nc1