[
  {
    "molid": "mol5223",
    "smiles": "CN1[C@H]2C[C@H]3C[C@H]1[C@H](O3)[C@H]2O",
    "microspecies": [],
    "macro_pka_values": [
      {
        "pka_value": 8.2,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]