[
  {
    "molid": "SAMPL8-3",
    "smiles": "NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl",
        "std_free_energy": -3.7067337036132812,
        "relative_population": 0.979737533545004
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "NS(=O)(=O)c1cc(C(=O)[O-])c(NCc2ccco2)cc1Cl",
        "std_free_energy": -10.429482460021973,
        "relative_population": 0.9999763737221893
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "SAMPL8"
      }
    ]
  }
]