[
  {
    "molid": "mol14650",
    "smiles": "C[C@]12C[C@H](C(=O)O)OC(=O)[C@H]1CC[C@@]1(C)[C@@H]2[C@H]2CCC1(O)C(=O)O2",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@]12C[C@H](C(=O)O)OC(=O)[C@H]1CC[C@@]1(C)[C@@H]2[C@H]2CC[C@]1(O)C(=O)O2",
        "std_free_energy": -2.756523847579956,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C[C@]12C[C@H](C(=O)[O-])OC(=O)[C@H]1CC[C@@]1(C)[C@@H]2[C@H]2CC[C@]1(O)C(=O)O2",
        "std_free_energy": -10.034605026245117,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.5,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      }
    ]
  }
]