[
  {
    "molid": "mol36756",
    "smiles": "OC(CS)(CS)c1ncc[nH]1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "OC(CS)(CS)c1ncc[nH]1",
        "std_free_energy": -5.452359199523926,
        "relative_population": 0.9487414178303754
      },
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "OC(C[S-])(CS)c1[nH]cc[nH+]1",
        "std_free_energy": -2.521127700805664,
        "relative_population": 0.0505976323747368
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "[OH2+]C(CS)(CS)c1ncc[nH]1",
        "std_free_energy": -1.9037861824035645,
        "relative_population": 0.07072084539603518
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "OC(CS)(CS)c1[nH]cc[nH+]1",
        "std_free_energy": -4.478912830352783,
        "relative_population": 0.9287754706721949
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.44999980926514,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]