pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.5	IUPAC digitized pKa	0	-1	O=C(NO)c1ccccn1	O=C(N[O-])c1ccccn1	mol9673	O=C(NO)c1ccccn1
8.7	IUPAC digitized pKa	0	-1	O=C(NO)c1ccccn1	O=C(N[O-])c1ccccn1	mol9673	O=C(NO)c1ccccn1
8.6	Datawarrior	0	-1	O=C(NO)c1ccccn1	O=C(N[O-])c1ccccn1	mol9673	O=C(NO)c1ccccn1
8.6000004	OCHEM	0	-1	O=C(NO)c1ccccn1	O=C(N[O-])c1ccccn1	mol9673	O=C(NO)c1ccccn1
8.69999980926514	QSARToolbox	0	-1	O=C(NO)c1ccccn1	O=C(N[O-])c1ccccn1	mol9673	O=C(NO)c1ccccn1
8.29	AttenGpKa training set	0	-1	O=C(NO)c1ccccn1	O=C(N[O-])c1ccccn1	mol9673	O=C(NO)c1ccccn1
2.40000009536743	QSARToolbox	1	0	O=C(NO)c1cccc[nH+]1	O=C(NO)c1ccccn1	mol9673	O=C(NO)c1ccccn1
1.85	AttenGpKa training set	1	0	O=C(NO)c1cccc[nH+]1	O=C(NO)c1ccccn1	mol9673	O=C(NO)c1ccccn1