[
  {
    "molid": "mol36357",
    "smiles": "O=C(O)/C=C(\\SC1CCCCC1)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)/C=C(\\SC1CCCCC1)C(=O)O",
        "std_free_energy": -0.6305199861526489,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])/C=C(\\SC1CCCCC1)C(=O)O",
        "std_free_energy": -8.058175086975098,
        "relative_population": 0.24232905285547046
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C(O)/C=C(\\SC1CCCCC1)C(=O)[O-]",
        "std_free_energy": -9.198127746582031,
        "relative_population": 0.7576709471445295
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.88999998569489,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]