[
  {
    "molid": "mol27524",
    "smiles": "NC(=S)Nc1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "NC(=S)Nc1ccccc1",
        "std_free_energy": -7.6515421867370605,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "NC(=S)[N-]c1ccccc1",
        "std_free_energy": 6.0132246017456055,
        "relative_population": 0.5568098168221721
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "[NH-]C(=S)Nc1ccccc1",
        "std_free_energy": 6.241449356079102,
        "relative_population": 0.443190183177828
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 13.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]