[
  {
    "molid": "mol36987",
    "smiles": "O=C1C=Cc2nsnc2C1=NO",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=C1C=Cc2nsnc2C1=NO",
        "std_free_energy": -3.761482000350952,
        "relative_population": 0.9999987744750605
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C1C=Cc2nsnc2C1=N[O-]",
        "std_free_energy": -5.896679401397705,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.76999998092651,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]