[
  {
    "molid": "mol36366",
    "smiles": "O=C1OC(c2c(C(=O)O)[nH]c3c(Cl)cccc23)(c2c(C(=O)O)[nH]c3c(Cl)cccc23)c2ccccc21",
    "microspecies": [
      {
        "id": "-4_1",
        "charge": -4,
        "smiles": "O=C1OC(c2c(C(=O)[O-])[n-]c3c(Cl)cccc23)(c2c(C(=O)[O-])[n-]c3c(Cl)cccc23)c2ccccc21",
        "std_free_energy": 4.747037887573242,
        "relative_population": 1.0
      },
      {
        "id": "-3_1",
        "charge": -3,
        "smiles": "O=C1OC(c2c(C(=O)[O-])[n-]c3c(Cl)cccc23)(c2c(C(=O)[O-])[nH]c3c(Cl)cccc23)c2ccccc21",
        "std_free_energy": 0.5715738534927368,
        "relative_population": 0.972344944488974
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.8000001907349,
        "charge_state_pre": -3,
        "charge_state_post": -4,
        "data_source": "QSARToolbox"
      }
    ]
  }
]