[
  {
    "molid": "mol20257",
    "smiles": "O=C(O)c1ccccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)c1ccccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12",
        "std_free_energy": -2.545708417892456,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])c1ccccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12",
        "std_free_energy": -7.989326477050781,
        "relative_population": 0.991284045738206
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])c1ccccc1-c1c2ccc(=O)cc-2oc2cc([O-])ccc12",
        "std_free_energy": -3.2118046283721924,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.2,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 2.11,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 4.31,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 6.39,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]