pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.963	IUPAC digitized pKa	1	0	C1CC[NH2+]CC1	C1CCNCC1	mol184	C1CCNCC1
11.786	IUPAC digitized pKa	1	0	C1CC[NH2+]CC1	C1CCNCC1	mol184	C1CCNCC1
11.613	IUPAC digitized pKa	1	0	C1CC[NH2+]CC1	C1CCNCC1	mol184	C1CCNCC1
11.443	IUPAC digitized pKa	1	0	C1CC[NH2+]CC1	C1CCNCC1	mol184	C1CCNCC1
11.28	IUPAC digitized pKa	1	0	C1CC[NH2+]CC1	C1CCNCC1	mol184	C1CCNCC1
11.123	IUPAC digitized pKa	1	0	C1CC[NH2+]CC1	C1CCNCC1	mol184	C1CCNCC1
10.974	IUPAC digitized pKa	1	0	C1CC[NH2+]CC1	C1CCNCC1	mol184	C1CCNCC1
10.818	IUPAC digitized pKa	1	0	C1CC[NH2+]CC1	C1CCNCC1	mol184	C1CCNCC1
10.67	IUPAC digitized pKa	1	0	C1CC[NH2+]CC1	C1CCNCC1	mol184	C1CCNCC1
10.526	IUPAC digitized pKa	1	0	C1CC[NH2+]CC1	C1CCNCC1	mol184	C1CCNCC1
10.384	IUPAC digitized pKa	1	0	C1CC[NH2+]CC1	C1CCNCC1	mol184	C1CCNCC1
10.98	IUPAC digitized pKa	1	0	C1CC[NH2+]CC1	C1CCNCC1	mol184	C1CCNCC1
10.19	IUPAC digitized pKa	1	0	C1CC[NH2+]CC1	C1CCNCC1	mol184	C1CCNCC1
11.11	IUPAC digitized pKa	1	0	C1CC[NH2+]CC1	C1CCNCC1	mol184	C1CCNCC1
11.07	IUPAC digitized pKa	1	0	C1CC[NH2+]CC1	C1CCNCC1	mol184	C1CCNCC1
11.22	IUPAC digitized pKa	1	0	C1CC[NH2+]CC1	C1CCNCC1	mol184	C1CCNCC1
10.92	IUPAC digitized pKa	1	0	C1CC[NH2+]CC1	C1CCNCC1	mol184	C1CCNCC1
11.38	IUPAC digitized pKa	1	0	C1CC[NH2+]CC1	C1CCNCC1	mol184	C1CCNCC1
11.06	IUPAC digitized pKa	1	0	C1CC[NH2+]CC1	C1CCNCC1	mol184	C1CCNCC1
10.76	IUPAC digitized pKa	1	0	C1CC[NH2+]CC1	C1CCNCC1	mol184	C1CCNCC1
11.93	IUPAC digitized pKa	1	0	C1CC[NH2+]CC1	C1CCNCC1	mol184	C1CCNCC1
11.2	IUPAC digitized pKa	1	0	C1CC[NH2+]CC1	C1CCNCC1	mol184	C1CCNCC1
11.24	Datawarrior	1	0	C1CC[NH2+]CC1	C1CCNCC1	mol184	C1CCNCC1
11.12	OCHEM	1	0	C1CC[NH2+]CC1	C1CCNCC1	mol184	C1CCNCC1
11.1	OCHEM	1	0	C1CC[NH2+]CC1	C1CCNCC1	mol184	C1CCNCC1
11.115	OCHEM	1	0	C1CC[NH2+]CC1	C1CCNCC1	mol184	C1CCNCC1
11.17	AttenGpKa training set	1	0	C1CC[NH2+]CC1	C1CCNCC1	mol184	C1CCNCC1