[
  {
    "molid": "mol34952",
    "smiles": "CC1=NN(c2nc(C)cc(O)n2)C(=O)C1",
    "microspecies": [
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "CC1=NN(c2nc(C)cc(O)n2)C(=O)C1",
        "std_free_energy": -6.282616138458252,
        "relative_population": 0.9993394275519262
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1cc(O)nc(-n2nc(C)[cH-]c2=O)n1",
        "std_free_energy": -1.0659559965133667,
        "relative_population": 0.17411717267970875
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC1=NN(c2nc(C)cc([O-])n2)C(=O)C1",
        "std_free_energy": -2.622680425643921,
        "relative_population": 0.8258828273202912
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.19999980926514,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]