[
  {
    "molid": "mol11556",
    "smiles": "O=c1nc(Cc2ccccc2)[nH]c(O)c1[N+](=O)[O-]",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=c1nc(Cc2ccccc2)[nH]c(O)c1[N+](=O)[O-]",
        "std_free_energy": -3.1516237258911133,
        "relative_population": 0.9998674215709088
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=c1nc(Cc2ccccc2)[nH]c([O-])c1[N+](=O)[O-]",
        "std_free_energy": -8.399812698364258,
        "relative_population": 0.8953228170906778
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=c1nc(Cc2ccccc2)[n-]c(O)c1[N+](=O)[O-]",
        "std_free_energy": -6.253509521484375,
        "relative_population": 0.10467718290932214
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.49,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]