[
  {
    "molid": "mol35956",
    "smiles": "OC(=NNc1ccccc1)/N=N/c1ccccc1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "OC(=N\\Nc1ccccc1)/N=N/c1ccccc1",
        "std_free_energy": -4.812166213989258,
        "relative_population": 0.9999854944854762
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "OC(=N\\[N-]c1ccccc1)/N=N/c1ccccc1",
        "std_free_energy": -4.451916217803955,
        "relative_population": 0.5124642054697569
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "[O-]C(=N\\Nc1ccccc1)/N=N/c1ccccc1",
        "std_free_energy": -4.4020490646362305,
        "relative_population": 0.487535794530243
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.30000019073486,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]