pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.07	IUPAC digitized pKa	1	0	CC(C)N[NH2+]C1CCN(C)CC1,CC(C)[NH2+]NC1CCN(C)CC1,CC(C)NNC1CC[NH+](C)CC1	CC(C)NNC1CCN(C)CC1	mol5806	CC(C)NNC1CCN(C)CC1
9.0699997	OCHEM	1	0	CC(C)N[NH2+]C1CCN(C)CC1,CC(C)[NH2+]NC1CCN(C)CC1,CC(C)NNC1CC[NH+](C)CC1	CC(C)NNC1CCN(C)CC1	mol5806	CC(C)NNC1CCN(C)CC1
6.32	IUPAC digitized pKa	2	1	CC(C)[NH2+][NH2+]C1CCN(C)CC1,CC(C)N[NH2+]C1CC[NH+](C)CC1,CC(C)[NH2+]NC1CC[NH+](C)CC1	CC(C)N[NH2+]C1CCN(C)CC1,CC(C)[NH2+]NC1CCN(C)CC1,CC(C)NNC1CC[NH+](C)CC1	mol5806	CC(C)NNC1CCN(C)CC1
6.32000017166138	QSARToolbox	2	1	CC(C)[NH2+][NH2+]C1CCN(C)CC1,CC(C)N[NH2+]C1CC[NH+](C)CC1,CC(C)[NH2+]NC1CC[NH+](C)CC1	CC(C)N[NH2+]C1CCN(C)CC1,CC(C)[NH2+]NC1CCN(C)CC1,CC(C)NNC1CC[NH+](C)CC1	mol5806	CC(C)NNC1CCN(C)CC1