[
  {
    "molid": "mol9713",
    "smiles": "Cn1cnc2nc[nH]c(=S)c21",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cn1cnc2nc[nH]c(=S)c21",
        "std_free_energy": -5.998729705810547,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cn1cnc2nc[n-]c(=S)c21",
        "std_free_energy": -4.04811429977417,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.9,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]