[
  {
    "molid": "mol16227",
    "smiles": "Nc1ccc(OS(=O)(=O)O)cc1Cl",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "[NH3+]c1ccc(OS(=O)(=O)[O-])cc1Cl",
        "std_free_energy": 0.6231278777122498,
        "relative_population": 0.5881838598447264
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Nc1ccc(OS(=O)(=O)O)cc1Cl",
        "std_free_energy": 0.9795904755592346,
        "relative_population": 0.4118161401552737
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Nc1ccc(OS(=O)(=O)[O-])cc1Cl",
        "std_free_energy": -10.89631462097168,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.4,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]