[
  {
    "molid": "mol24737",
    "smiles": "CNN(C)c1ccccc1",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[NH2+]N(C)c1ccccc1",
        "std_free_energy": -3.575794219970703,
        "relative_population": 0.5732460963660804
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CN[NH+](C)c1ccccc1",
        "std_free_energy": -3.280686616897583,
        "relative_population": 0.42675390363391963
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "C[NH2+][NH+](C)c1ccccc1",
        "std_free_energy": 2.395524024963379,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": -5.4,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]