[
  {
    "molid": "mol38137",
    "smiles": "Cc1ncc(C(C)(C)[n+]2csc(CCO)c2C)c(N)n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ncc(C(C)(C)[n+]2csc(CCO)c2C)c([NH-])n1",
        "std_free_energy": 5.553438186645508,
        "relative_population": 0.8088056022747793
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Cc1ncc(C(C)(C)[n+]2csc(CC[O-])c2C)c(N)n1",
        "std_free_energy": 6.995706081390381,
        "relative_population": 0.19119439772522076
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1ncc(C(C)(C)[n+]2csc(CCO)c2C)c(N)n1",
        "std_free_energy": -5.954556465148926,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.5500001907349,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]