[
  {
    "molid": "mol30021",
    "smiles": "CCOC(=O)C(c1c(O)c2ccccc2oc1=O)c1c(O)c2ccccc2oc1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCOC(=O)C(c1c(O)c2ccccc2oc1=O)c1c(O)c2ccccc2oc1=O",
        "std_free_energy": -1.0205490589141846,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCOC(=O)C(c1c([O-])c2ccccc2oc1=O)c1c(O)c2ccccc2oc1=O",
        "std_free_energy": -6.7631683349609375,
        "relative_population": 0.9835170898846507
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.1,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]