[
  {
    "molid": "mol8628",
    "smiles": "CO[C@H]1[C@H](O)[C@@H](CO)OC(O)[C@@H]1N",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CO[C@@H]1[C@@H](N)[C@H](O)O[C@H](CO)[C@H]1O",
        "std_free_energy": -5.197595119476318,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CO[C@@H]1[C@@H]([NH3+])[C@H](O)O[C@H](CO)[C@H]1O",
        "std_free_energy": -7.4536638259887695,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.1,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 7.09999990463257,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]