pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.27	Datawarrior	0	-1	[O-][n+]1cnc(NCc2ccccc2)c2nc[nH]c21	[O-][n+]1cnc(NCc2ccccc2)c2nc[n-]c21	mol14849	[O-][n+]1cnc(NCc2ccccc2)c2nc[nH]c21
2.86	Datawarrior	1	0	O[n+]1cnc(NCc2ccccc2)c2nc[nH]c21	[O-][n+]1cnc(NCc2ccccc2)c2nc[nH]c21	mol14849	[O-][n+]1cnc(NCc2ccccc2)c2nc[nH]c21
2.8599999	OCHEM	1	0	O[n+]1cnc(NCc2ccccc2)c2nc[nH]c21	[O-][n+]1cnc(NCc2ccccc2)c2nc[nH]c21	mol14849	[O-][n+]1cnc(NCc2ccccc2)c2nc[nH]c21
2.85999989509583	QSARToolbox	1	0	O[n+]1cnc(NCc2ccccc2)c2nc[nH]c21	[O-][n+]1cnc(NCc2ccccc2)c2nc[nH]c21	mol14849	[O-][n+]1cnc(NCc2ccccc2)c2nc[nH]c21