[
  {
    "molid": "mol26660",
    "smiles": "Cc1cc2c(O)c3ccccc3nc2nc1C",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1cc2c(O)c3ccccc3nc2[nH+]c1C",
        "std_free_energy": 0.06393109261989594,
        "relative_population": 0.7867933383347128
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Cc1cc2c(O)c3ccccc3[nH+]c2nc1C",
        "std_free_energy": 1.369864583015442,
        "relative_population": 0.21315767057283488
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "Cc1cc2c(O)c3ccccc3[nH+]c2[nH+]c1C",
        "std_free_energy": 12.576828002929688,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": -4.63,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]