[
  {
    "molid": "mol7750",
    "smiles": "Cc1ccc2c(N=O)ccc(O)c2n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccc2c(N=O)ccc([O-])c2[nH+]1",
        "std_free_energy": -5.144495010375977,
        "relative_population": 0.6384040069038167
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Cc1ccc2c(N=O)ccc(O)c2n1",
        "std_free_energy": -4.576051235198975,
        "relative_population": 0.3615959930961831
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1ccc2c(N=O)ccc(O)c2[nH+]1",
        "std_free_energy": -0.3395532965660095,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1ccc2c(N=O)ccc([O-])c2n1",
        "std_free_energy": -3.7042436599731445,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.48,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 7.48000001907349,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 3.14,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 3.14000010490417,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]