[
  {
    "molid": "mol38390",
    "smiles": "Cc1ccc(/N=C/N(C)C)nc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccc(/N=C/N(C)C)nc1",
        "std_free_energy": -4.0627312660217285,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1ccc(/N=C/N(C)C)[nH+]c1",
        "std_free_energy": -5.403584003448486,
        "relative_population": 0.10882590907436371
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1ccc(/[NH+]=C/N(C)C)nc1",
        "std_free_energy": -7.506374359130859,
        "relative_population": 0.8911740909256363
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.44999980926514,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]