pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.01	IUPAC digitized pKa	1	0	Nc1ccncc1[NH3+],Nc1cnccc1[NH3+],Nc1cc[nH+]cc1N	Nc1ccncc1N	mol3660	Nc1ccncc1N
9.14	IUPAC digitized pKa	1	0	Nc1ccncc1[NH3+],Nc1cnccc1[NH3+],Nc1cc[nH+]cc1N	Nc1ccncc1N	mol3660	Nc1ccncc1N
9.06	Datawarrior	1	0	Nc1ccncc1[NH3+],Nc1cnccc1[NH3+],Nc1cc[nH+]cc1N	Nc1ccncc1N	mol3660	Nc1ccncc1N
9.0600004	OCHEM	1	0	Nc1ccncc1[NH3+],Nc1cnccc1[NH3+],Nc1cc[nH+]cc1N	Nc1ccncc1N	mol3660	Nc1ccncc1N
9.10000038146973	QSARToolbox	1	0	Nc1ccncc1[NH3+],Nc1cnccc1[NH3+],Nc1cc[nH+]cc1N	Nc1ccncc1N	mol3660	Nc1ccncc1N
9.07999992370606	QSARToolbox	1	0	Nc1ccncc1[NH3+],Nc1cnccc1[NH3+],Nc1cc[nH+]cc1N	Nc1ccncc1N	mol3660	Nc1ccncc1N
0.49	IUPAC digitized pKa	2	1	[NH3+]c1ccncc1[NH3+]	Nc1ccncc1[NH3+],Nc1cnccc1[NH3+],Nc1cc[nH+]cc1N	mol3660	Nc1ccncc1N