[
  {
    "molid": "mol24520",
    "smiles": "CNC12CCN(CC1)CC2",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CNC12CCN(CC1)CC2",
        "std_free_energy": 0.8266772031784058,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[NH2+]C12CCN(CC1)CC2",
        "std_free_energy": -8.312166213989258,
        "relative_population": 0.6164874550631051
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CNC12CC[NH+](CC1)CC2",
        "std_free_energy": -7.83750057220459,
        "relative_population": 0.38351254493689496
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "C[NH2+]C12CC[NH+](CC1)CC2",
        "std_free_energy": -10.151298522949219,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.32,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 6.91,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]