[
  {
    "molid": "mol33004",
    "smiles": "CC1CCCCC1OCC(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@H]1CCCC[C@@H]1OCC(=O)O",
        "std_free_energy": -3.2090377807617188,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C[C@H]1CCCC[C@@H]1OCC(=O)[O-]",
        "std_free_energy": -9.901008605957031,
        "relative_population": 0.9999999391096491
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.8,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 3.79999995231628,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]