[
  {
    "molid": "mol33750",
    "smiles": "CN(C)c1ccc(S(=O)(=O)O)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[NH+](C)c1ccc(S(=O)(=O)[O-])cc1",
        "std_free_energy": -2.2045979499816895,
        "relative_population": 0.4132489536985307
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CN(C)c1ccc(S(=O)(=O)O)cc1",
        "std_free_energy": -2.5551483631134033,
        "relative_population": 0.5867510463014693
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CN(C)c1ccc(S(=O)(=O)[O-])cc1",
        "std_free_energy": -11.334976196289062,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.40000009536743,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 3.59999990463257,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 3.83999991416931,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]