[
  {
    "molid": "mol37300",
    "smiles": "O=C(O)CNC[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C([O-])C[NH2+]C[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O",
        "std_free_energy": -11.319042205810547,
        "relative_population": 0.9996722163119494
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])CNC[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O",
        "std_free_energy": -7.734935760498047,
        "relative_population": 0.9996956217416778
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.18000030517578,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]