pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.15	OCHEM	1	0	CC(C)(C)[C@@]1(O)CC[NH+]2C[C@@H]3c4ccccc4CCc4cccc(c43)[C@H]2C1	CC(C)(C)[C@@]1(O)CCN2C[C@@H]3c4ccccc4CCc4cccc(c43)[C@H]2C1	mol16805	CC(C)(C)[C@@]1(O)CCN2C[C@@H]3c4ccccc4CCc4cccc(c43)[C@H]2C1
5.9	Baltruschat ChEMBL	1	0	CC(C)(C)[C@@]1(O)CC[NH+]2C[C@@H]3c4ccccc4CCc4cccc(c43)[C@H]2C1	CC(C)(C)[C@@]1(O)CCN2C[C@@H]3c4ccccc4CCc4cccc(c43)[C@H]2C1	mol16805	CC(C)(C)[C@@]1(O)CCN2C[C@@H]3c4ccccc4CCc4cccc(c43)[C@H]2C1