pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.4	Hunt	1	0	CC[NH+]1C[C@@H](C)C[C@@H](O)[C@@H]1[C@H](C)c1ccc2c(c1C)C[C@@H]1[C@H]2CC=C2C[C@H](O)CC[C@@]21C	CCN1C[C@@H](C)C[C@@H](O)[C@@H]1[C@H](C)c1ccc2c(c1C)C[C@@H]1[C@H]2CC=C2C[C@H](O)CC[C@@]21C	mol1777	CCN1C[C@@H](C)C[C@@H](O)[C@@H]1[C@H](C)c1ccc2c(c1C)C[C@@H]1[C@H]2CC=C2C[C@H](O)CC[C@@]21C