[
  {
    "molid": "mol31430",
    "smiles": "O=C(O)[C@H]1CCCC[C@H]1C(=O)NO",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])[C@H]1CCCC[C@H]1C(=O)NO",
        "std_free_energy": -9.438283920288086,
        "relative_population": 0.999857975970004
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])[C@H]1CCCC[C@H]1C(=O)N[O-]",
        "std_free_energy": -0.7768616080284119,
        "relative_population": 0.6910535863066157
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "O=C([O-])[C@H]1CCCC[C@H]1C(=O)[N-]O",
        "std_free_energy": 0.02883002907037735,
        "relative_population": 0.30874809953972165
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.75,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]