pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.5	AttenGpKa training set	0	-1	CC1(C)[C@@H]2CC[C@@]1(C)C(=O)[C@@H]2C(=O)c1ccccc1	CC1(C)[C@@H]2CC[C@@]1(C)C(=O)[C-]2C(=O)c1ccccc1	mol27036	CC1(C)[C@@H]2CC[C@@]1(C)C(=O)C2C(=O)c1ccccc1