[
  {
    "molid": "mol32642",
    "smiles": "Cc1ccc(N=Nc2ccc(N(C)C)cc2)cc1C",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1ccc(N=[NH+]c2ccc(N(C)C)cc2)cc1C",
        "std_free_energy": 3.2552595138549805,
        "relative_population": 0.14421843037047313
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1ccc(N=Nc2ccc([NH+](C)C)cc2)cc1C",
        "std_free_energy": 1.4745733737945557,
        "relative_population": 0.8557815696295269
      },
      {
        "id": "2_2",
        "charge": 2,
        "smiles": "Cc1ccc([NH+]=[NH+]c2ccc(N(C)C)cc2)cc1C",
        "std_free_energy": 7.707773208618164,
        "relative_population": 0.9879053781780479
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.3699999,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 2.36999988555908,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]