[
  {
    "molid": "mol37543",
    "smiles": "Oc1ccc(C=NCCN=Cc2ccc(O)cc2)cc1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Oc1ccc(C=NCCN=Cc2ccc(O)cc2)cc1",
        "std_free_energy": -4.7995381355285645,
        "relative_population": 0.5717110752744141
      },
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "[O-]c1ccc(C=NCC[NH+]=Cc2ccc(O)cc2)cc1",
        "std_free_energy": -3.5873336791992188,
        "relative_population": 0.17010727956474764
      },
      {
        "id": "0_4",
        "charge": 0,
        "smiles": "[O-]c1ccc(C=[NH+]CCN=Cc2ccc(O)cc2)cc1",
        "std_free_energy": -4.0044379234313965,
        "relative_population": 0.2581481225303393
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]c1ccc(C=NCCN=Cc2ccc(O)cc2)cc1",
        "std_free_energy": 2.054115056991577,
        "relative_population": 0.9551135470088704
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.92999982833862,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]