[
  {
    "molid": "mol7033",
    "smiles": "Cn1c(N)nccc1=S",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cn1c(N)nccc1=S",
        "std_free_energy": -7.059139251708984,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cn1c(N)[nH+]ccc1=S",
        "std_free_energy": -0.09949485212564468,
        "relative_population": 0.5989270095530254
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cn1c([NH3+])nccc1=S",
        "std_free_energy": 0.30150145292282104,
        "relative_population": 0.40107299044697464
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.89,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]