[
  {
    "molid": "mol36895",
    "smiles": "O=C(O)CCCCCCCCCC[n+]1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C([O-])CCCCCCCCCC[n+]1ccccc1",
        "std_free_energy": -9.079625129699707,
        "relative_population": 0.9999956086262752
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "O=C(O)CCCCCCCCCC[n+]1ccccc1",
        "std_free_energy": -3.6428332328796387,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.59999990463257,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]