[
  {
    "molid": "mol35015",
    "smiles": "CC(C)(C)CN/C(=C\\[N+](=O)[O-])Nc1cccnc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(C)(C)CN/C(=C\\[N+](=O)[O-])Nc1cccnc1",
        "std_free_energy": -6.2541608810424805,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(C)(C)C[N-]/C(=C\\[N+](=O)[O-])Nc1cccnc1",
        "std_free_energy": 1.1452282667160034,
        "relative_population": 0.8601524298705298
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC(C)(C)CN/C(=C\\[N+](=O)[O-])[N-]c1cccnc1",
        "std_free_energy": 2.961784839630127,
        "relative_population": 0.13984757012947024
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.85999965667725,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]