pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.27	IUPAC digitized pKa	1	0	C1CC[NH2+]C1	C1CCNC1	mol177	C1CCNC1
11.08	IUPAC digitized pKa	1	0	C1CC[NH2+]C1	C1CCNC1	mol177	C1CCNC1
10.96	IUPAC digitized pKa	1	0	C1CC[NH2+]C1	C1CCNC1	mol177	C1CCNC1
12.165	IUPAC digitized pKa	1	0	C1CC[NH2+]C1	C1CCNC1	mol177	C1CCNC1
11.984	IUPAC digitized pKa	1	0	C1CC[NH2+]C1	C1CCNC1	mol177	C1CCNC1
11.807	IUPAC digitized pKa	1	0	C1CC[NH2+]C1	C1CCNC1	mol177	C1CCNC1
11.636	IUPAC digitized pKa	1	0	C1CC[NH2+]C1	C1CCNC1	mol177	C1CCNC1
11.469	IUPAC digitized pKa	1	0	C1CC[NH2+]C1	C1CCNC1	mol177	C1CCNC1
11.305	IUPAC digitized pKa	1	0	C1CC[NH2+]C1	C1CCNC1	mol177	C1CCNC1
11.147	IUPAC digitized pKa	1	0	C1CC[NH2+]C1	C1CCNC1	mol177	C1CCNC1
10.994	IUPAC digitized pKa	1	0	C1CC[NH2+]C1	C1CCNC1	mol177	C1CCNC1
10.845	IUPAC digitized pKa	1	0	C1CC[NH2+]C1	C1CCNC1	mol177	C1CCNC1
10.698	IUPAC digitized pKa	1	0	C1CC[NH2+]C1	C1CCNC1	mol177	C1CCNC1
10.556	IUPAC digitized pKa	1	0	C1CC[NH2+]C1	C1CCNC1	mol177	C1CCNC1
11.3	Datawarrior	1	0	C1CC[NH2+]C1	C1CCNC1	mol177	C1CCNC1
11.31	Organic Oxygen Acids and Nitrogen Bases	1	0	C1CC[NH2+]C1	C1CCNC1	mol177	C1CCNC1
11.02	OCHEM	1	0	C1CC[NH2+]C1	C1CCNC1	mol177	C1CCNC1