[
  {
    "molid": "mol32618",
    "smiles": "Cc1cccc(N=Nc2ccc(N)cc2)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cccc(N=Nc2ccc(N)cc2)c1",
        "std_free_energy": -7.31211519241333,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1cccc(N=[NH+]c2ccc(N)cc2)c1",
        "std_free_energy": 3.0908801555633545,
        "relative_population": 0.11871024061913207
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1cccc(N=Nc2ccc([NH3+])cc2)c1",
        "std_free_energy": 1.086179256439209,
        "relative_population": 0.881289759380868
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.8800001,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 2.88,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 2.88000011444092,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]