[
  {
    "molid": "mol38487",
    "smiles": "OC(CS)(CS)c1ccccn1",
    "microspecies": [
      {
        "id": "0_4",
        "charge": 0,
        "smiles": "OC(CS)(CS)c1ccccn1",
        "std_free_energy": -6.789468288421631,
        "relative_population": 0.995836928899943
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "OC(CS)(CS)c1cccc[nH+]1",
        "std_free_energy": -0.40624475479125977,
        "relative_population": 0.9273807009557029
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "[OH2+]C(CS)(CS)c1ccccn1",
        "std_free_energy": 2.143892526626587,
        "relative_population": 0.07240149008644794
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.54999995231628,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]