[
  {
    "molid": "mol33989",
    "smiles": "O=C(CI)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(CI)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21",
        "std_free_energy": -5.1912384033203125,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C(CI)Nc1ccc2c(c1)C(=O)OC21c2ccc([O-])cc2Oc2cc(O)ccc21",
        "std_free_energy": -2.7011821269989014,
        "relative_population": 0.9549643624709032
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.05000019073486,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]