[
  {
    "molid": "mol26480",
    "smiles": "Cc1cc2nc(C(C)C)[nH]c2cc1C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cc2nc(C(C)C)[nH]c2cc1C",
        "std_free_energy": -5.722200393676758,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1cc2[nH]c(C(C)C)[nH+]c2cc1C",
        "std_free_energy": -5.930947303771973,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.6,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]