[
  {
    "molid": "mol38622",
    "smiles": "O=C(NO)c1ccoc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(NO)c1ccoc1",
        "std_free_energy": -6.254012107849121,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([N-]O)c1ccoc1",
        "std_free_energy": -0.16531959176063538,
        "relative_population": 0.2493258770352049
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C(N[O-])c1ccoc1",
        "std_free_energy": -1.2675304412841797,
        "relative_population": 0.7506741229647951
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.44999980926514,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]