[
  {
    "molid": "mol37251",
    "smiles": "COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C",
        "std_free_energy": -6.918523788452148,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H]([O-])C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C",
        "std_free_energy": 11.223650932312012,
        "relative_population": 0.4766738585045311
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H]([O-])CC[C@]4(C)[C@H]3CC[C@]12C",
        "std_free_energy": 11.130278587341309,
        "relative_population": 0.5233261414954689
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]