pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.3	Datawarrior	1	0	[NH3+]Cc1ccncc1	NCc1ccncc1	mol12375	NCc1ccncc1
8.3000002	OCHEM	1	0	[NH3+]Cc1ccncc1	NCc1ccncc1	mol12375	NCc1ccncc1
8.96	AttenGpKa training set	1	0	[NH3+]Cc1ccncc1	NCc1ccncc1	mol12375	NCc1ccncc1
4.05	Datawarrior	2	1	[NH3+]Cc1cc[nH+]cc1	[NH3+]Cc1ccncc1	mol12375	NCc1ccncc1
4.39	Organic Oxygen Acids and Nitrogen Bases	2	1	[NH3+]Cc1cc[nH+]cc1	[NH3+]Cc1ccncc1	mol12375	NCc1ccncc1
4.05000019073486	QSARToolbox	2	1	[NH3+]Cc1cc[nH+]cc1	[NH3+]Cc1ccncc1	mol12375	NCc1ccncc1