pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.73	Baltruschat ChEMBL	1	0	CC(C)COC[C@@H](O)C[NH2+]C(C)(C)C	CC(C)COC[C@@H](O)CNC(C)(C)C	mol17336	CC(C)COCC(O)CNC(C)(C)C