[
  {
    "molid": "mol108",
    "smiles": "CN[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O",
        "std_free_energy": -4.413761138916016,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[NH2+][C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O",
        "std_free_energy": -7.954599380493164,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.6,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Settimo"
      }
    ]
  }
]