[
  {
    "molid": "mol13349",
    "smiles": "O=C1CCC(C2CCCCC2)C(=O)C1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1CC[C@H](C2CCCCC2)C(=O)C1",
        "std_free_energy": -4.082847595214844,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C1[CH-]C(=O)[C@@H](C2CCCCC2)CC1",
        "std_free_energy": -6.716940402984619,
        "relative_population": 0.973250715602338
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.5,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      }
    ]
  }
]