[
  {
    "molid": "mol7536",
    "smiles": "Cc1nc(C)c(C)c(S(=O)(=O)O)n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1nc(C)c(C)c(S(=O)(=O)[O-])[nH+]1",
        "std_free_energy": 0.2817037105560303,
        "relative_population": 0.40211720734433354
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Cc1nc(C)c(C)c(S(=O)(=O)O)n1",
        "std_free_energy": 1.0103427171707153,
        "relative_population": 0.19404781544628644
      },
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "Cc1nc(S(=O)(=O)[O-])c(C)c(C)[nH+]1",
        "std_free_energy": 0.27744099497795105,
        "relative_population": 0.40383497720937994
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1nc(C)c(C)c(S(=O)(=O)[O-])n1",
        "std_free_energy": -10.810779571533203,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.33,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 2.32999992370605,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]