pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.34	Datawarrior	1	0	[NH3+]CCCCCc1cccnc1	NCCCCCc1cccnc1	mol12571	NCCCCCc1cccnc1
5.61	Datawarrior	2	1	[NH3+]CCCCCc1ccc[nH+]c1	[NH3+]CCCCCc1cccnc1	mol12571	NCCCCCc1cccnc1
5.6100001335144	QSARToolbox	2	1	[NH3+]CCCCCc1ccc[nH+]c1	[NH3+]CCCCCc1cccnc1	mol12571	NCCCCCc1cccnc1