[
  {
    "molid": "mol17413",
    "smiles": "[O-][S+](Cc1ccccc1)c1nc(O)n[nH]1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "[O-][S@+](Cc1ccccc1)c1nc(O)n[nH]1",
        "std_free_energy": -4.547554016113281,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-][S@+](Cc1ccccc1)c1nc(O)n[n-]1",
        "std_free_energy": -5.532378673553467,
        "relative_population": 0.6388144860768113
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "[O-]c1n[nH]c([S@+]([O-])Cc2ccccc2)n1",
        "std_free_energy": -4.962156295776367,
        "relative_population": 0.36118551392318865
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.2,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]