[
  {
    "molid": "mol32787",
    "smiles": "CCc1cccc(N=Nc2ccc(N(C)C)cc2)c1",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCc1cccc(N=[NH+]c2ccc(N(C)C)cc2)c1",
        "std_free_energy": 3.587585926055908,
        "relative_population": 0.12504477388165328
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCc1cccc(N=Nc2ccc([NH+](C)C)cc2)c1",
        "std_free_energy": 1.642085075378418,
        "relative_population": 0.8749552261183468
      },
      {
        "id": "2_2",
        "charge": 2,
        "smiles": "CCc1cccc([NH+]=[NH+]c2ccc(N(C)C)cc2)c1",
        "std_free_energy": 8.677838325500488,
        "relative_population": 0.9820415908797274
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.1600001,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 2.16000008583069,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]