[
  {
    "molid": "mol30568",
    "smiles": "CC(C)(C)c1cc(O)ccc1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(C)(C)c1cc(O)ccc1O",
        "std_free_energy": -7.954825401306152,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(C)(C)c1cc(O)ccc1[O-]",
        "std_free_energy": 1.8585875034332275,
        "relative_population": 0.2895517713869905
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC(C)(C)c1cc([O-])ccc1O",
        "std_free_energy": 0.9610255360603333,
        "relative_population": 0.7104482286130094
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "CC(C)(C)c1cc([O-])ccc1[O-]",
        "std_free_energy": 14.34270191192627,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.6999998092651,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 10.7,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 13.6,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]