[
  {
    "molid": "mol30785",
    "smiles": "Cc1c2c(c(O)c3c(O)cccc13)C(=O)OC2C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1c2c(c(O)c3c(O)cccc13)C(=O)O[C@@H]2C",
        "std_free_energy": -5.438426971435547,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1c2c(c([O-])c3c(O)cccc13)C(=O)O[C@@H]2C",
        "std_free_energy": -2.469754219055176,
        "relative_population": 0.4647508654915951
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cc1c2c(c(O)c3c([O-])cccc13)C(=O)O[C@@H]2C",
        "std_free_energy": -2.610985040664673,
        "relative_population": 0.5352491345084048
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "Cc1c2c(c([O-])c3c([O-])cccc13)C(=O)O[C@@H]2C",
        "std_free_energy": 9.302111625671387,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.7,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 10.2,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]