[
  {
    "molid": "mol1653",
    "smiles": "CS(=O)(=O)c1ccc(N)c(Cl)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CS(=O)(=O)c1ccc(N)c(Cl)c1",
        "std_free_energy": -7.277580261230469,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CS(=O)(=O)c1ccc([NH3+])c(Cl)c1",
        "std_free_energy": 7.041172981262207,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": -0.41,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]