[
  {
    "molid": "mol13643",
    "smiles": "O=C(O)c1csc(Cl)n1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=C(O)c1csc(Cl)n1",
        "std_free_energy": -3.132399082183838,
        "relative_population": 0.9965136472889045
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])c1csc(Cl)n1",
        "std_free_energy": -10.689070701599121,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.3,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 3.29999995231628,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]