pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.38	Datawarrior	1	0	[NH3+]CCCCCc1ccccn1	NCCCCCc1ccccn1	mol12572	NCCCCCc1ccccn1
5.7	Datawarrior	2	1	[NH3+]CCCCCc1cccc[nH+]1	[NH3+]CCCCCc1ccccn1	mol12572	NCCCCCc1ccccn1
5.69999980926514	QSARToolbox	2	1	[NH3+]CCCCCc1cccc[nH+]1	[NH3+]CCCCCc1ccccn1	mol12572	NCCCCCc1ccccn1