[
  {
    "molid": "mol35311",
    "smiles": "C/C(CSc1nnnn1-c1ccccc1)=N\\O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C/C(CSc1nnnn1-c1ccccc1)=N\\O",
        "std_free_energy": -7.079206466674805,
        "relative_population": 0.9999997674402162
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C/C(CSc1nnnn1-c1ccccc1)=N\\[O-]",
        "std_free_energy": 0.5281338691711426,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 12.3000001907349,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]