pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.18	IUPAC digitized pKa	1	0	CC[C@@H](C)NCCNCC[NH2+][C@@H](C)CC,CC[C@@H](C)NCC[NH2+]CCN[C@@H](C)CC	CC[C@@H](C)NCCNCCN[C@@H](C)CC	mol5849	CCC(C)NCCNCCNC(C)CC
9.08	IUPAC digitized pKa	2	1	CC[C@@H](C)[NH2+]CCNCC[NH2+][C@@H](C)CC	CC[C@@H](C)NCCNCC[NH2+][C@@H](C)CC,CC[C@@H](C)NCC[NH2+]CCN[C@@H](C)CC	mol5849	CCC(C)NCCNCCNC(C)CC
3.6	IUPAC digitized pKa	3	2	CC[C@@H](C)[NH2+]CC[NH2+]CC[NH2+][C@@H](C)CC	CC[C@@H](C)[NH2+]CCNCC[NH2+][C@@H](C)CC	mol5849	CCC(C)NCCNCCNC(C)CC