[
  {
    "molid": "mol32784",
    "smiles": "Cc1cccc(N=Nc2ccc(N(C)C)cc2)c1",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1cccc(N=Nc2ccc([NH+](C)C)cc2)c1",
        "std_free_energy": 1.5507360696792603,
        "relative_population": 0.8851892507528297
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1cccc(N=[NH+]c2ccc(N(C)C)cc2)c1",
        "std_free_energy": 3.593252420425415,
        "relative_population": 0.1148107492471703
      },
      {
        "id": "2_2",
        "charge": 2,
        "smiles": "Cc1cccc([NH+]=[NH+]c2ccc(N(C)C)cc2)c1",
        "std_free_energy": 8.586873054504395,
        "relative_population": 0.9771184689471617
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.3299999,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 2.32999992370605,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]