[
  {
    "molid": "mol36415",
    "smiles": "CN(C)c1ccc2ccccc2c1OS(=O)(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[NH+](C)c1ccc2ccccc2c1OS(=O)(=O)[O-]",
        "std_free_energy": -3.6863467693328857,
        "relative_population": 0.5971775265094493
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CN(C)c1ccc2ccccc2c1OS(=O)(=O)O",
        "std_free_energy": -3.292628288269043,
        "relative_population": 0.4028224734905508
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CN(C)c1ccc2ccccc2c1OS(=O)(=O)[O-]",
        "std_free_energy": -8.654052734375,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.90000009536743,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]