[
  {
    "molid": "mol32900",
    "smiles": "O=C(O)CCC/C=C\\C[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1NS(=O)(=O)c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)CCC/C=C\\C[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1NS(=O)(=O)c1ccccc1",
        "std_free_energy": -4.493878364562988,
        "relative_population": 0.9897520266945337
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])CCC/C=C\\C[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1NS(=O)(=O)c1ccccc1",
        "std_free_energy": -9.018917083740234,
        "relative_population": 0.9999791606403866
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.9,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]