[
  {
    "molid": "mol26362",
    "smiles": "Nn1cnc2cnnc-2c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nn1cnc2cnnc-2c1",
        "std_free_energy": -6.408381462097168,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Nn1c[nH+]c2cnnc-2c1",
        "std_free_energy": -2.0157546997070312,
        "relative_population": 0.6019712667111806
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Nn1cnc2c[nH+]nc-2c1",
        "std_free_energy": -0.347525417804718,
        "relative_population": 0.11352015889405233
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Nn1cnc2cn[nH+]c-2c1",
        "std_free_energy": -0.99283766746521,
        "relative_population": 0.21643552178102857
      },
      {
        "id": "1_4",
        "charge": 1,
        "smiles": "[NH3+]n1cnc2cnnc-2c1",
        "std_free_energy": 0.1638735830783844,
        "relative_population": 0.06807305261373849
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.96,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]