[
  {
    "molid": "mol37526",
    "smiles": "O=S1(=O)OC(c2ccc(Nc3ccc(O)cc3)cc2)(c2ccc(Nc3ccc(O)cc3)cc2)c2ccccc21",
    "microspecies": [
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "O=S1(=O)OC(c2ccc(Nc3ccc(O)cc3)cc2)(c2ccc(Nc3ccc(O)cc3)cc2)c2ccccc21",
        "std_free_energy": -7.149481773376465,
        "relative_population": 0.9999968451375656
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=S1(=O)OC(c2ccc(Nc3ccc([O-])cc3)cc2)(c2ccc(Nc3ccc(O)cc3)cc2)c2ccccc21",
        "std_free_energy": 0.2045397311449051,
        "relative_population": 0.9998325893579749
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.9200000762939,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]