[
  {
    "molid": "mol36399",
    "smiles": "Cc1cc(N=Nc2ccc(N(C)C)cc2)ccc1Cl",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1cc(N=Nc2ccc([NH+](C)C)cc2)ccc1Cl",
        "std_free_energy": 0.9134484529495239,
        "relative_population": 0.8939530829201386
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1cc(N=[NH+]c2ccc(N(C)C)cc2)ccc1Cl",
        "std_free_energy": 3.045220136642456,
        "relative_population": 0.1060469170798614
      },
      {
        "id": "2_3",
        "charge": 2,
        "smiles": "Cc1cc([NH+]=[NH+]c2ccc(N(C)C)cc2)ccc1Cl",
        "std_free_energy": 8.787750244140625,
        "relative_population": 0.986049682575076
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.17000007629395,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]