[
  {
    "molid": "mol32782",
    "smiles": "Cc1ccc(N=Nc2ccc(N)cc2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccc(N=Nc2ccc(N)cc2)cc1",
        "std_free_energy": -7.091333389282227,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1ccc(N=Nc2ccc([NH3+])cc2)cc1",
        "std_free_energy": 1.1070058345794678,
        "relative_population": 0.8192300387334643
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1ccc(N=[NH+]c2ccc(N)cc2)cc1",
        "std_free_energy": 2.61814546585083,
        "relative_population": 0.18076996126653566
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.04,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 3.03999996185303,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]