[
  {
    "molid": "mol8286",
    "smiles": "Cc1ncnc2c1ncn2C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ncnc2c1ncn2C",
        "std_free_energy": -7.885646820068359,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1nc[nH+]c2c1ncn2C",
        "std_free_energy": 1.5424498319625854,
        "relative_population": 0.3482271322811374
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1[nH+]cnc2c1ncn2C",
        "std_free_energy": 1.3450915813446045,
        "relative_population": 0.42420345908019924
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Cc1ncnc2c1[nH+]cn2C",
        "std_free_energy": 1.9678494930267334,
        "relative_population": 0.22756940863866337
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.16,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 3.2,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]