[
  {
    "molid": "mol25239",
    "smiles": "Cc1nnnn1C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1nnnn1C",
        "std_free_energy": -7.110888481140137,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1n[nH+]nn1C",
        "std_free_energy": 9.193432807922363,
        "relative_population": 0.10437416150616989
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1[nH+]nnn1C",
        "std_free_energy": 7.107359409332275,
        "relative_population": 0.8405492508819584
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Cc1nn[nH+]n1C",
        "std_free_energy": 9.832690238952637,
        "relative_population": 0.05507658761187178
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": -1.68,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]