pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.14	IUPAC digitized pKa	1	0	NCCOCCOCC[NH3+]	NCCOCCOCCN	mol3110	NCCOCCOCCN
9.16	IUPAC digitized pKa	1	0	NCCOCCOCC[NH3+]	NCCOCCOCCN	mol3110	NCCOCCOCCN
9.88	IUPAC digitized pKa	1	0	NCCOCCOCC[NH3+]	NCCOCCOCCN	mol3110	NCCOCCOCCN
8.87	IUPAC digitized pKa	1	0	NCCOCCOCC[NH3+]	NCCOCCOCCN	mol3110	NCCOCCOCCN
9.57	IUPAC digitized pKa	1	0	NCCOCCOCC[NH3+]	NCCOCCOCCN	mol3110	NCCOCCOCCN
8.6	IUPAC digitized pKa	1	0	NCCOCCOCC[NH3+]	NCCOCCOCCN	mol3110	NCCOCCOCCN
9.3	IUPAC digitized pKa	1	0	NCCOCCOCC[NH3+]	NCCOCCOCCN	mol3110	NCCOCCOCCN
8.35	IUPAC digitized pKa	1	0	NCCOCCOCC[NH3+]	NCCOCCOCCN	mol3110	NCCOCCOCCN
9.58	OCHEM	1	0	NCCOCCOCC[NH3+]	NCCOCCOCCN	mol3110	NCCOCCOCCN
9.17	OCHEM	1	0	NCCOCCOCC[NH3+]	NCCOCCOCCN	mol3110	NCCOCCOCCN
9.73	AttenGpKa training set	1	0	NCCOCCOCC[NH3+]	NCCOCCOCCN	mol3110	NCCOCCOCCN
8.74	AttenGpKa training set	1	0	NCCOCCOCC[NH3+]	NCCOCCOCCN	mol3110	NCCOCCOCCN