[
  {
    "molid": "mol31775",
    "smiles": "O=C(O)Cc1ccc2c(c1)SCc1ccccc1C2=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)Cc1ccc2c(c1)SCc1ccccc1C2=O",
        "std_free_energy": -3.745871067047119,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([O-])Cc1ccc2c(c1)SCc1ccccc1C2=O",
        "std_free_energy": -9.13941478729248,
        "relative_population": 0.9999993103437073
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.71,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]