pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.9	IUPAC digitized pKa	1	0	NCC[NH2+]C[C@@H]1CCCO1,[NH3+]CCNC[C@@H]1CCCO1	NCCNC[C@@H]1CCCO1	mol6327	NCCNCC1CCCO1
6.73	IUPAC digitized pKa	2	1	[NH3+]CC[NH2+]C[C@@H]1CCCO1	NCC[NH2+]C[C@@H]1CCCO1,[NH3+]CCNC[C@@H]1CCCO1	mol6327	NCCNCC1CCCO1