pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.91	Datawarrior	0	-1	O/N=C/c1ccncc1	[O-]/N=C/c1ccncc1	mol13615	O/N=C/c1ccncc1
10.1999998092651	QSARToolbox	0	-1	O/N=C/c1ccncc1	[O-]/N=C/c1ccncc1	mol13615	O/N=C/c1ccncc1
9.90999984741211	QSARToolbox	0	-1	O/N=C/c1ccncc1	[O-]/N=C/c1ccncc1	mol13615	O/N=C/c1ccncc1
4.58	Datawarrior	1	0	O/N=C/c1cc[nH+]cc1,O/[NH+]=C/c1ccncc1	O/N=C/c1ccncc1	mol13615	O/N=C/c1ccncc1
4.57999992370606	QSARToolbox	1	0	O/N=C/c1cc[nH+]cc1,O/[NH+]=C/c1ccncc1	O/N=C/c1ccncc1	mol13615	O/N=C/c1ccncc1