[
  {
    "molid": "mol31894",
    "smiles": "O=C(O)CCCCCCC[n+]1ccccc1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=C([O-])CCCCCCC[n+]1ccccc1",
        "std_free_energy": -9.36782455444336,
        "relative_population": 0.9999992288195363
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "O=C(O)CCCCCCC[n+]1ccccc1",
        "std_free_energy": -3.529444694519043,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.5,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]