[
  {
    "molid": "mol34635",
    "smiles": "COc1ccc2c(c1C)CC[C@@](C)(C(=O)O)[C@H]2CC(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1ccc2c(c1C)CC[C@@](C)(C(=O)O)[C@H]2CC(=O)O",
        "std_free_energy": -2.8340015411376953,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COc1ccc2c(c1C)CC[C@@](C)(C(=O)O)[C@H]2CC(=O)[O-]",
        "std_free_energy": -8.860945701599121,
        "relative_population": 0.7401479505465554
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "COc1ccc2c(c1C)CC[C@@](C)(C(=O)[O-])[C@H]2CC(=O)O",
        "std_free_energy": -7.814208030700684,
        "relative_population": 0.25985204945344464
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.36999988555908,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]