pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.97	IUPAC digitized pKa	1	0	NC[C@@H]1CCCC[NH2+]1,[NH3+]C[C@@H]1CCCCN1	NC[C@@H]1CCCCN1	mol6331	NCC1CCCCN1
9.7	IUPAC digitized pKa	1	0	NC[C@@H]1CCCC[NH2+]1,[NH3+]C[C@@H]1CCCCN1	NC[C@@H]1CCCCN1	mol6331	NCC1CCCCN1
9.46	IUPAC digitized pKa	1	0	NC[C@@H]1CCCC[NH2+]1,[NH3+]C[C@@H]1CCCCN1	NC[C@@H]1CCCCN1	mol6331	NCC1CCCCN1
9.21	IUPAC digitized pKa	1	0	NC[C@@H]1CCCC[NH2+]1,[NH3+]C[C@@H]1CCCCN1	NC[C@@H]1CCCCN1	mol6331	NCC1CCCCN1
6.54	IUPAC digitized pKa	2	1	[NH3+]C[C@@H]1CCCC[NH2+]1	NC[C@@H]1CCCC[NH2+]1,[NH3+]C[C@@H]1CCCCN1	mol6331	NCC1CCCCN1
6.33	IUPAC digitized pKa	2	1	[NH3+]C[C@@H]1CCCC[NH2+]1	NC[C@@H]1CCCC[NH2+]1,[NH3+]C[C@@H]1CCCCN1	mol6331	NCC1CCCCN1
6.12	IUPAC digitized pKa	2	1	[NH3+]C[C@@H]1CCCC[NH2+]1	NC[C@@H]1CCCC[NH2+]1,[NH3+]C[C@@H]1CCCCN1	mol6331	NCC1CCCCN1
5.77	IUPAC digitized pKa	2	1	[NH3+]C[C@@H]1CCCC[NH2+]1	NC[C@@H]1CCCC[NH2+]1,[NH3+]C[C@@H]1CCCCN1	mol6331	NCC1CCCCN1