[
  {
    "molid": "mol9714",
    "smiles": "Cc1nc2nc[nH]c(=S)c2[nH]1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1nc2nc[nH]c(=S)c2[nH]1",
        "std_free_energy": -5.989767074584961,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1nc2nc[nH]c(=S)c2[n-]1",
        "std_free_energy": -2.1277763843536377,
        "relative_population": 0.21459693075572048
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cc1nc2nc[n-]c(=S)c2[nH]1",
        "std_free_energy": -3.4252119064331055,
        "relative_population": 0.7854030692442794
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.8,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]