[
  {
    "molid": "mol36953",
    "smiles": "O=C1N[C](O)C=CN1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1N[C](O)C=CN1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O",
        "std_free_energy": -6.033432960510254,
        "relative_population": 1.0
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=C1[N-][C](O)C=CN1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O",
        "std_free_energy": -1.312800645828247,
        "relative_population": 0.9993821599700102
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]