[
  {
    "molid": "mol38552",
    "smiles": "CCC(Cc1c(I)cc(I)c(N)c1I)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC[C@H](Cc1c(I)cc(I)c(N)c1I)C(=O)O",
        "std_free_energy": -5.06743049621582,
        "relative_population": 0.9986591672919074
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC[C@H](Cc1c(I)cc(I)c(N)c1I)C(=O)[O-]",
        "std_free_energy": -9.743734359741211,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.80000019073486,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]