[
  {
    "molid": "mol25490",
    "smiles": "Cc1nnnn1-c1ccc(Cl)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1nnnn1-c1ccc(Cl)cc1",
        "std_free_energy": -7.558426380157471,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1n[nH+]nn1-c1ccc(Cl)cc1",
        "std_free_energy": 14.231724739074707,
        "relative_population": 0.3290935098997959
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1nn[nH+]n1-c1ccc(Cl)cc1",
        "std_free_energy": 14.173606872558594,
        "relative_population": 0.348786435251071
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Cc1[nH+]nnn1-c1ccc(Cl)cc1",
        "std_free_energy": 14.253142356872559,
        "relative_population": 0.32212005484913303
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": -2.17,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]