pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.85	IUPAC digitized pKa	0	-1	CN1[C@@H]2CC[C@H]1C[C@H](OC(=O)[C@H](CO)c1ccccc1)C2	CN1[C@@H]2CC[C@H]1C[C@H](OC(=O)[C-](CO)c1ccccc1)C2	mol139	CN1[C@@H]2CC[C@H]1CC(OC(=O)C(CO)c1ccccc1)C2
10.2	IUPAC digitized pKa	0	-1	CN1[C@@H]2CC[C@H]1C[C@H](OC(=O)[C@H](CO)c1ccccc1)C2	CN1[C@@H]2CC[C@H]1C[C@H](OC(=O)[C-](CO)c1ccccc1)C2	mol139	CN1[C@@H]2CC[C@H]1CC(OC(=O)C(CO)c1ccccc1)C2
9.84	OCHEM	0	-1	CN1[C@@H]2CC[C@H]1C[C@H](OC(=O)[C@H](CO)c1ccccc1)C2	CN1[C@@H]2CC[C@H]1C[C@H](OC(=O)[C-](CO)c1ccccc1)C2	mol139	CN1[C@@H]2CC[C@H]1CC(OC(=O)C(CO)c1ccccc1)C2