[
  {
    "molid": "mol38278",
    "smiles": "CN(C)/C=N/c1ccccn1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(C)/C=N/c1ccccn1",
        "std_free_energy": -4.738922119140625,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CN(C)/C=N/c1cccc[nH+]1",
        "std_free_energy": -5.2829203605651855,
        "relative_population": 0.14337606071777997
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CN(C)/C=[NH+]/c1ccccn1",
        "std_free_energy": -7.070448398590088,
        "relative_population": 0.85662393928222
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.19999980926514,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]