[
  {
    "molid": "mol30251",
    "smiles": "OC[C@@H]1C[C@H](O)[C@@H](CO)N1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "OC[C@@H]1C[C@H](O)[C@@H](CO)N1",
        "std_free_energy": -4.084665775299072,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "OC[C@@H]1C[C@H](O)[C@@H](CO)[NH2+]1",
        "std_free_energy": -8.66873836517334,
        "relative_population": 0.985261201258343
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.2,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]