pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.15	IUPAC digitized pKa	1	0	N[C@@H](C(=[NH2+])NO)c1ccccc1,N=C(NO)[C@H]([NH3+])c1ccccc1	N[C@@H](C(=[NH2+])N[O-])c1ccccc1,N=C(NO)[C@H](N)c1ccccc1	mol6271	N=C(NO)C(N)c1ccccc1
7.1500001	OCHEM	1	0	N[C@@H](C(=[NH2+])NO)c1ccccc1,N=C(NO)[C@H]([NH3+])c1ccccc1	N[C@@H](C(=[NH2+])N[O-])c1ccccc1,N=C(NO)[C@H](N)c1ccccc1	mol6271	N=C(NO)C(N)c1ccccc1
2.3	IUPAC digitized pKa	2	1	[NH2+]=C(NO)[C@H]([NH3+])c1ccccc1	N[C@@H](C(=[NH2+])NO)c1ccccc1,N=C(NO)[C@H]([NH3+])c1ccccc1	mol6271	N=C(NO)C(N)c1ccccc1
2.29999995231628	QSARToolbox	2	1	[NH2+]=C(NO)[C@H]([NH3+])c1ccccc1	N[C@@H](C(=[NH2+])NO)c1ccccc1,N=C(NO)[C@H]([NH3+])c1ccccc1	mol6271	N=C(NO)C(N)c1ccccc1