[
  {
    "molid": "mol17561",
    "smiles": "CC(C1CC1C(=O)O)C1CC[C@H]2[C@@H]3[C@@H](O)CC4C[C@H](O)CCC4(C)[C@H]3CCC12C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@@H]([C@H]1C[C@H]1C(=O)O)[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": -3.9610424041748047,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C[C@@H]([C@H]1C[C@H]1C(=O)[O-])[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": -8.199729919433594,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.01,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]