pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.45	IUPAC digitized pKa	1	0	NCCNCC(N)[NH3+],NCC[NH2+]CC(N)N,NC(N)CNCC[NH3+]	NCCNCC(N)N	mol3092	NCCNCC(N)N
9.55	IUPAC digitized pKa	1	0	NCCNCC(N)[NH3+],NCC[NH2+]CC(N)N,NC(N)CNCC[NH3+]	NCCNCC(N)N	mol3092	NCCNCC(N)N
9.91	IUPAC digitized pKa	1	0	NCCNCC(N)[NH3+],NCC[NH2+]CC(N)N,NC(N)CNCC[NH3+]	NCCNCC(N)N	mol3092	NCCNCC(N)N
10.29	IUPAC digitized pKa	1	0	NCCNCC(N)[NH3+],NCC[NH2+]CC(N)N,NC(N)CNCC[NH3+]	NCCNCC(N)N	mol3092	NCCNCC(N)N
9.59	IUPAC digitized pKa	1	0	NCCNCC(N)[NH3+],NCC[NH2+]CC(N)N,NC(N)CNCC[NH3+]	NCCNCC(N)N	mol3092	NCCNCC(N)N
10.44	IUPAC digitized pKa	1	0	NCCNCC(N)[NH3+],NCC[NH2+]CC(N)N,NC(N)CNCC[NH3+]	NCCNCC(N)N	mol3092	NCCNCC(N)N
9.77	IUPAC digitized pKa	1	0	NCCNCC(N)[NH3+],NCC[NH2+]CC(N)N,NC(N)CNCC[NH3+]	NCCNCC(N)N	mol3092	NCCNCC(N)N
10.13	IUPAC digitized pKa	1	0	NCCNCC(N)[NH3+],NCC[NH2+]CC(N)N,NC(N)CNCC[NH3+]	NCCNCC(N)N	mol3092	NCCNCC(N)N
9.44	IUPAC digitized pKa	1	0	NCCNCC(N)[NH3+],NCC[NH2+]CC(N)N,NC(N)CNCC[NH3+]	NCCNCC(N)N	mol3092	NCCNCC(N)N
9.85	IUPAC digitized pKa	1	0	NCCNCC(N)[NH3+],NCC[NH2+]CC(N)N,NC(N)CNCC[NH3+]	NCCNCC(N)N	mol3092	NCCNCC(N)N
8.28	IUPAC digitized pKa	2	1	NC([NH3+])CNCC[NH3+]	NCCNCC(N)[NH3+],NCC[NH2+]CC(N)N,NC(N)CNCC[NH3+]	mol3092	NCCNCC(N)N
9.0	IUPAC digitized pKa	2	1	NC([NH3+])CNCC[NH3+]	NCCNCC(N)[NH3+],NCC[NH2+]CC(N)N,NC(N)CNCC[NH3+]	mol3092	NCCNCC(N)N
7.71	IUPAC digitized pKa	2	1	NC([NH3+])CNCC[NH3+]	NCCNCC(N)[NH3+],NCC[NH2+]CC(N)N,NC(N)CNCC[NH3+]	mol3092	NCCNCC(N)N
8.56	IUPAC digitized pKa	2	1	NC([NH3+])CNCC[NH3+]	NCCNCC(N)[NH3+],NCC[NH2+]CC(N)N,NC(N)CNCC[NH3+]	mol3092	NCCNCC(N)N
8.74	IUPAC digitized pKa	2	1	NC([NH3+])CNCC[NH3+]	NCCNCC(N)[NH3+],NCC[NH2+]CC(N)N,NC(N)CNCC[NH3+]	mol3092	NCCNCC(N)N
8.42	IUPAC digitized pKa	2	1	NC([NH3+])CNCC[NH3+]	NCCNCC(N)[NH3+],NCC[NH2+]CC(N)N,NC(N)CNCC[NH3+]	mol3092	NCCNCC(N)N
9.12	IUPAC digitized pKa	2	1	NC([NH3+])CNCC[NH3+]	NCCNCC(N)[NH3+],NCC[NH2+]CC(N)N,NC(N)CNCC[NH3+]	mol3092	NCCNCC(N)N
8.11	IUPAC digitized pKa	2	1	NC([NH3+])CNCC[NH3+]	NCCNCC(N)[NH3+],NCC[NH2+]CC(N)N,NC(N)CNCC[NH3+]	mol3092	NCCNCC(N)N