[
  {
    "molid": "mol35194",
    "smiles": "C=C(CC)C(CCCC)(C(=O)O)C(=O)OC",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C=C(CC)[C@@](CCCC)(C(=O)O)C(=O)OC",
        "std_free_energy": -3.6672849655151367,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C=C(CC)[C@@](CCCC)(C(=O)[O-])C(=O)OC",
        "std_free_energy": -9.619913101196289,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.65000009536743,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]