[
  {
    "molid": "mol34084",
    "smiles": "O=C(O)[C@@H]1C[C@H](O)CN1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=C([O-])[C@@H]1C[C@H](O)C[NH2+]1",
        "std_free_energy": -12.761322975158691,
        "relative_population": 0.9999858167153474
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])[C@@H]1C[C@H](O)CN1",
        "std_free_energy": -5.508702754974365,
        "relative_population": 0.9999996552536102
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.19999980926514,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]