pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.18	Datawarrior	1	0	[NH3+]CCCCc1ccncc1	NCCCCc1ccncc1	mol14141	NCCCCc1ccncc1
5.81	Datawarrior	2	1	[NH3+]CCCCc1cc[nH+]cc1	[NH3+]CCCCc1ccncc1	mol14141	NCCCCc1ccncc1
5.80999994277954	QSARToolbox	2	1	[NH3+]CCCCc1cc[nH+]cc1	[NH3+]CCCCc1ccncc1	mol14141	NCCCCc1ccncc1