[
  {
    "molid": "mol15406",
    "smiles": "COc1cc(OC)nc(NS(=O)(=O)c2ccc(O)cc2)n1",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COc1cc(OC)nc(NS(=O)(=O)c2ccc([O-])cc2)n1",
        "std_free_energy": -3.001335382461548,
        "relative_population": 0.27963019665652183
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "COc1cc(OC)nc([N-]S(=O)(=O)c2ccc(O)cc2)n1",
        "std_free_energy": -3.947632074356079,
        "relative_population": 0.7203698033434781
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "COc1cc(OC)nc([N-]S(=O)(=O)c2ccc([O-])cc2)n1",
        "std_free_energy": 0.3121296167373657,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.29,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 9.05,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "Datawarrior"
      }
    ]
  }
]