[
  {
    "molid": "mol34679",
    "smiles": "CC(=O)C(=NNc1ccc(Br)cc1)C(C)=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=O)C(=NNc1ccc(Br)cc1)C(C)=O",
        "std_free_energy": -6.447307586669922,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[CH2-]C(=O)C(=NNc1ccc(Br)cc1)C(C)=O",
        "std_free_energy": 0.08009275794029236,
        "relative_population": 0.5685205859645323
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC(=O)C(=N[N-]c1ccc(Br)cc1)C(C)=O",
        "std_free_energy": 0.3559104800224304,
        "relative_population": 0.4314794140354678
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.9399995803833,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]