[
  {
    "molid": "mol32317",
    "smiles": "CCC(CC)C(=O)OC1OC(C(=O)O)C(O)C(O)C1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCC(CC)C(=O)O[C@@H]1O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@@H]1O",
        "std_free_energy": -2.4934897422790527,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCC(CC)C(=O)O[C@@H]1O[C@H](C(=O)[O-])[C@H](O)[C@H](O)[C@@H]1O",
        "std_free_energy": -10.65708065032959,
        "relative_population": 0.999865793060107
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.3699999,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]