[
  {
    "molid": "mol30143",
    "smiles": "CC(=O)O[C@H]1C[C@@]2(C)[C@H](C[C@@H](O)[C@@H]3[C@@]4(C)CC[C@@H](O)[C@@H](C)C4CC[C@@]32C)/C1=C(/CCC=C(C)C)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=O)O[C@H]1C[C@@]2(C)[C@H](C[C@@H](O)[C@@H]3[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@H]4CC[C@@]32C)/C1=C(/CCC=C(C)C)C(=O)O",
        "std_free_energy": -3.0664286613464355,
        "relative_population": 1.0
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "CC(=O)O[C@H]1C[C@@]2(C)[C@H](C[C@@H](O)[C@@H]3[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@H]4CC[C@@]32C)/C1=C(/CCC=C(C)C)C(=O)[O-]",
        "std_free_energy": -8.755596160888672,
        "relative_population": 0.9999976532340669
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.35,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]