[
  {
    "molid": "mol36555",
    "smiles": "CNc1ccc(N=Nc2ccc(O)cc2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CNc1ccc(N=Nc2ccc(O)cc2)cc1",
        "std_free_energy": -6.394062042236328,
        "relative_population": 0.9999363712176721
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "CNc1ccc(N=[NH+]c2ccc(O)cc2)cc1",
        "std_free_energy": 2.684670925140381,
        "relative_population": 0.16456501865182932
      },
      {
        "id": "1_4",
        "charge": 1,
        "smiles": "CNc1ccc([NH+]=Nc2ccc(O)cc2)cc1",
        "std_free_energy": 2.7837185859680176,
        "relative_population": 0.14904646179264203
      },
      {
        "id": "1_5",
        "charge": 1,
        "smiles": "C[NH2+]c1ccc(N=Nc2ccc(O)cc2)cc1",
        "std_free_energy": 1.2620503902435303,
        "relative_population": 0.6826117686046325
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.95000004768372,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]