[
  {
    "molid": "mol35774",
    "smiles": "O=C1OC(c2c(-c3ccccc3)[nH]c3ccccc23)(c2c(-c3ccccc3)[nH]c3ccccc23)c2cccc([N+](=O)[O-])c21",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1OC(c2c(-c3ccccc3)[nH]c3ccccc23)(c2c(-c3ccccc3)[nH]c3ccccc23)c2cccc([N+](=O)[O-])c21",
        "std_free_energy": -6.809576034545898,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C1OC(c2c(-c3ccccc3)[n-]c3ccccc23)(c2c(-c3ccccc3)[nH]c3ccccc23)c2cccc([N+](=O)[O-])c21",
        "std_free_energy": 4.031961441040039,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.19999980926514,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]