[
  {
    "molid": "mol38389",
    "smiles": "CN(C)/C=N/c1cc(Cl)ccn1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(C)/C=N/c1cc(Cl)ccn1",
        "std_free_energy": -4.839531898498535,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CN(C)/C=N/c1cc(Cl)cc[nH+]1",
        "std_free_energy": -4.292662620544434,
        "relative_population": 0.13706751700747913
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CN(C)/C=[NH+]/c1cc(Cl)ccn1",
        "std_free_energy": -6.132525444030762,
        "relative_population": 0.8629324829925209
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.48000001907349,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]