pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.78	IUPAC digitized pKa	1	0	CC1CC[NH2+]CC1	CC1CCNCC1	mol1799	CC1CCNCC1
10.89	Datawarrior	1	0	CC1CC[NH2+]CC1	CC1CCNCC1	mol1799	CC1CCNCC1
11.23	OCHEM	1	0	CC1CC[NH2+]CC1	CC1CCNCC1	mol1799	CC1CCNCC1
11.3	AttenGpKa training set	1	0	CC1CC[NH2+]CC1	CC1CCNCC1	mol1799	CC1CCNCC1