[
  {
    "molid": "mol34338",
    "smiles": "Nc1cccc(OS(=O)(=O)O)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1cccc(OS(=O)(=O)O)c1",
        "std_free_energy": 0.3548620343208313,
        "relative_population": 0.21105056711877332
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "[NH3+]c1cccc(OS(=O)(=O)[O-])c1",
        "std_free_energy": -0.9637424349784851,
        "relative_population": 0.7889494328812268
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Nc1cccc(OS(=O)(=O)[O-])c1",
        "std_free_energy": -10.09423542022705,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.09999990463257,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]