[
  {
    "molid": "mol38098",
    "smiles": "N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O",
        "std_free_energy": -5.1278228759765625,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "[NH3+][C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O",
        "std_free_energy": -7.3873701095581055,
        "relative_population": 0.9732377487631926
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.46000003814697,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]