pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.63	Datawarrior	1	0	[NH3+]C1CCNCC1,NC1CC[NH2+]CC1	NC1CCNCC1	mol16016	NC1CCNCC1
8.1	Datawarrior	2	1	[NH3+]C1CC[NH2+]CC1	[NH3+]C1CCNCC1,NC1CC[NH2+]CC1	mol16016	NC1CCNCC1
8.10000038146973	QSARToolbox	2	1	[NH3+]C1CC[NH2+]CC1	[NH3+]C1CCNCC1,NC1CC[NH2+]CC1	mol16016	NC1CCNCC1