[
  {
    "molid": "mol11000",
    "smiles": "Cn1c(-c2ccccc2)n[nH]c1=S",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cn1c(-c2ccccc2)n[nH]c1=S",
        "std_free_energy": -6.518518447875977,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cn1c(-c2ccccc2)n[n-]c1=S",
        "std_free_energy": -3.4233694076538086,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.66,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]