pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.86	IUPAC digitized pKa	1	0	C[NH+]1[C@@H]2CC[C@H]1C[C@H](O)C2	CN1[C@@H]2CC[C@H]1C[C@H](O)C2	mol5219	CN1[C@@H]2CC[C@H]1C[C@H](O)C2
10.26	IUPAC digitized pKa	1	0	C[NH+]1[C@@H]2CC[C@H]1C[C@H](O)C2	CN1[C@@H]2CC[C@H]1C[C@H](O)C2	mol5219	CN1[C@@H]2CC[C@H]1C[C@H](O)C2
10.4	IUPAC digitized pKa	1	0	C[NH+]1[C@@H]2CC[C@H]1C[C@H](O)C2	CN1[C@@H]2CC[C@H]1C[C@H](O)C2	mol5219	CN1[C@@H]2CC[C@H]1C[C@H](O)C2
10.33	Datawarrior	1	0	C[NH+]1[C@@H]2CC[C@H]1C[C@H](O)C2	CN1[C@@H]2CC[C@H]1C[C@H](O)C2	mol5219	CN1[C@@H]2CC[C@H]1C[C@H](O)C2
10.06	OCHEM	1	0	C[NH+]1[C@@H]2CC[C@H]1C[C@H](O)C2	CN1[C@@H]2CC[C@H]1C[C@H](O)C2	mol5219	CN1[C@@H]2CC[C@H]1C[C@H](O)C2