[
  {
    "molid": "mol11058",
    "smiles": "CN(Cc1ccccc1)C(=S)S",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(Cc1ccccc1)C(=S)S",
        "std_free_energy": -3.6510515213012695,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CN(Cc1ccccc1)C(=S)[S-]",
        "std_free_energy": -11.484075546264648,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.66,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]