[
  {
    "molid": "mol35734",
    "smiles": "O=C(NNc1ccccc1)c1nc2ccccc2s1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(NNc1ccccc1)c1nc2ccccc2s1",
        "std_free_energy": -6.985260486602783,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([N-]Nc1ccccc1)c1nc2ccccc2s1",
        "std_free_energy": 3.3312699794769287,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.02000045776367,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]