[
  {
    "molid": "mol25909",
    "smiles": "Cc1cccc(-c2nnnn2C)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cccc(-c2nnnn2C)c1",
        "std_free_energy": -6.573616981506348,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1cccc(-c2nn[nH+]n2C)c1",
        "std_free_energy": 13.928565979003906,
        "relative_population": 0.22631469064000162
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1cccc(-c2n[nH+]nn2C)c1",
        "std_free_energy": 13.768144607543945,
        "relative_population": 0.2656946823031245
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Cc1cccc(-c2[nH+]nnn2C)c1",
        "std_free_energy": 13.12002944946289,
        "relative_population": 0.5079906270568739
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": -2.34,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]