[
  {
    "molid": "mol13870",
    "smiles": "CN(C)C1CC(C)(C)NC(C)(C)C1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(C)C1CC(C)(C)NC(C)(C)C1",
        "std_free_energy": 0.7781099677085876,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CN(C)C1CC(C)(C)[NH2+]C(C)(C)C1",
        "std_free_energy": -8.032872200012207,
        "relative_population": 0.4660894103578853
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C[NH+](C)C1CC(C)(C)NC(C)(C)C1",
        "std_free_energy": -8.168723106384277,
        "relative_population": 0.5339105896421147
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "C[NH+](C)C1CC(C)(C)[NH2+]C(C)(C)C1",
        "std_free_energy": -11.174909591674805,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.56,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 7.67,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 7.67000007629395,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]