[
  {
    "molid": "mol1287",
    "smiles": "c1ccc([C@H]2CCCCN2)nc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "c1ccc([C@H]2CCCCN2)nc1",
        "std_free_energy": -0.2672334313392639,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "c1ccc([C@H]2CCCC[NH2+]2)nc1",
        "std_free_energy": -9.72098445892334,
        "relative_population": 0.9772151438563537
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.1,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Hunt"
      }
    ]
  }
]