[
  {
    "molid": "mol44",
    "smiles": "CCCCC[C@H](O)/C=C/[C@H]1[C@H](CCCCCCC(=O)O)C(=O)C[C@@H]1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCCC[C@H](O)/C=C/[C@H]1[C@H](CCCCCCC(=O)O)C(=O)C[C@@H]1O",
        "std_free_energy": -4.443953990936279,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCCCC[C@H](O)/C=C/[C@H]1[C@H](CCCCCCC(=O)[O-])C(=O)C[C@@H]1O",
        "std_free_energy": -8.46767520904541,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.87,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AvLiLuMoVe"
      }
    ]
  }
]