[
  {
    "molid": "mol34821",
    "smiles": "C=C[C](O)OCC(C)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C=C[C](O)OC[C@H](C)O",
        "std_free_energy": -5.337920188903809,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C=C[C](O)OC[C@H](C)[O-]",
        "std_free_energy": 9.662383079528809,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.5,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]