[
  {
    "molid": "mol14375",
    "smiles": "CC1(C)O[C@@H]2CC(=O)OC[C@]23[C@@H]1CC(=O)[C@@]1(C)[C@H]3C[C@](C)(CC2CCOC2)C[C@]12O[C@H]2C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC1(C)O[C@@H]2CC(=O)OC[C@]23[C@@H]1CC(=O)[C@@]1(C)[C@H]3C[C@](C)(C[C@H]2CCOC2)C[C@]12O[C@H]2C(=O)O",
        "std_free_energy": -1.4163073301315308,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC1(C)O[C@@H]2CC(=O)OC[C@]23[C@@H]1CC(=O)[C@@]1(C)[C@H]3C[C@](C)(C[C@H]2CCOC2)C[C@]12O[C@H]2C(=O)[O-]",
        "std_free_energy": -10.411910057067871,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.7,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      }
    ]
  }
]