[
  {
    "molid": "mol14149",
    "smiles": "NC(=S)Nc1ccc(Cl)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "NC(=S)Nc1ccc(Cl)cc1",
        "std_free_energy": -7.395430564880371,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "NC(=S)[N-]c1ccc(Cl)cc1",
        "std_free_energy": 6.487469673156738,
        "relative_population": 0.5431318870826478
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "[NH-]C(=S)Nc1ccc(Cl)cc1",
        "std_free_energy": 6.660427093505859,
        "relative_population": 0.4568681129173522
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 12.3,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 12.3000001907349,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]