[
  {
    "molid": "mol26658",
    "smiles": "COc1cccc2nc3ccccc3c(N)c12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1cccc2nc3ccccc3c(N)c12",
        "std_free_energy": -3.121225357055664,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "COc1cccc2nc3ccccc3c([NH3+])c12",
        "std_free_energy": -10.900925636291504,
        "relative_population": 0.3410248431944695
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "COc1cccc2[nH+]c3ccccc3c(N)c12",
        "std_free_energy": -11.559656143188477,
        "relative_population": 0.6589751568055305
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.2,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]