[
  {
    "molid": "mol36747",
    "smiles": "O=C(O)C(c1ccc(C2CCCCC2)cc1)C(O)c1ccc(Cl)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)[C@@H](c1ccc(C2CCCCC2)cc1)[C@@H](O)c1ccc(Cl)cc1",
        "std_free_energy": -4.017638206481934,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([O-])[C@@H](c1ccc(C2CCCCC2)cc1)[C@@H](O)c1ccc(Cl)cc1",
        "std_free_energy": -9.480896949768066,
        "relative_population": 0.9999996899578207
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.26999998092651,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]