pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.3	Datawarrior	1	0	[NH3+]CCCCc1ccccn1	NCCCCc1ccccn1	mol14143	NCCCCc1ccccn1
5.56	Datawarrior	2	1	[NH3+]CCCCc1cccc[nH+]1	[NH3+]CCCCc1ccccn1	mol14143	NCCCCc1ccccn1
5.55999994277954	QSARToolbox	2	1	[NH3+]CCCCc1cccc[nH+]1	[NH3+]CCCCc1ccccn1	mol14143	NCCCCc1ccccn1