[
  {
    "molid": "mol11761",
    "smiles": "O=C1NC(=S)SC1=C/C=C/c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1NC(=S)S/C1=C\\C=C\\c1ccccc1",
        "std_free_energy": -4.2387919425964355,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C1[N-]C(=S)S/C1=C\\C=C\\c1ccccc1",
        "std_free_energy": -6.455048084259033,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.68,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]