pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.9	AttenGpKa training set	1	0	COc1ccc2c3c1O[C@H]1C(=O)CC[C@]4(O)[C@@H](C2)[NH+](C)CC[C@]314	COc1ccc2c3c1O[C@H]1C(=O)CC[C@]4(O)[C@@H](C2)N(C)CC[C@]314	mol29846	COc1ccc2c3c1OC1C(=O)CCC4(O)[C@@H](C2)[N@@](C)CCC314