pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.53	Hunt	1	0	CC(C)[NH2+]C[C@@H](O)COc1ccc(CCOCC2CC2)cc1	CC(C)NC[C@@H](O)COc1ccc(CCOCC2CC2)cc1	mol604	CC(C)NC[C@@H](O)COc1ccc(CCOCC2CC2)cc1