[
  {
    "molid": "mol34019",
    "smiles": "Cc1noc(N)c1C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1noc(N)c1C",
        "std_free_energy": -7.225498199462891,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1noc([NH3+])c1C",
        "std_free_energy": 1.8810887336730957,
        "relative_population": 0.8073809407152811
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1[nH+]oc(N)c1C",
        "std_free_energy": 3.3141698837280273,
        "relative_population": 0.1926190592847188
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.27999997138977,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]