[
  {
    "molid": "mol36956",
    "smiles": "O=C1N[C](O)C=CN1[C@@H]1O[C@H](CO)[C@@H](OP(=O)(O)O)[C@H]1O",
    "microspecies": [
      {
        "id": "-3_3",
        "charge": -3,
        "smiles": "O=C1[N-][C](O)C=CN1[C@@H]1O[C@H](CO)[C@@H](OP(=O)([O-])[O-])[C@H]1O",
        "std_free_energy": -1.2713037729263306,
        "relative_population": 0.9918096199397027
      },
      {
        "id": "-2_7",
        "charge": -2,
        "smiles": "O=C1N[C](O)C=CN1[C@@H]1O[C@H](CO)[C@@H](OP(=O)([O-])[O-])[C@H]1O",
        "std_free_energy": -11.002412796020508,
        "relative_population": 0.9998068638812664
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.09999990463257,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "QSARToolbox"
      }
    ]
  }
]