[
  {
    "molid": "mol2979",
    "smiles": "O=C(NO)C1c2ccccc2-c2ccccc21",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(NO)C1c2ccccc2-c2ccccc21",
        "std_free_energy": -5.826297283172607,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C(N[O-])C1c2ccccc2-c2ccccc21",
        "std_free_energy": -0.6675955057144165,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.7,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Novartis"
      }
    ]
  }
]