[
  {
    "molid": "mol12819",
    "smiles": "O=C(O)c1nsc2ccccc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)c1nsc2ccccc12",
        "std_free_energy": -2.5868263244628906,
        "relative_population": 0.9998466356621601
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])c1nsc2ccccc12",
        "std_free_energy": -11.709912300109863,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.76,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 2.75999999046326,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]