[
  {
    "molid": "mol36666",
    "smiles": "COP(=O)(OC)C(C=O)=NNc1ccc(Br)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COP(=O)(OC)C(C=O)=NNc1ccc(Br)cc1",
        "std_free_energy": -5.53017520904541,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COP(=O)(OC)C(C=O)=N[N-]c1ccc(Br)cc1",
        "std_free_energy": -2.3454036712646484,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.21999979019165,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]