[
  {
    "molid": "mol15863",
    "smiles": "CCN(C)NC",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCN(C)NC",
        "std_free_energy": -4.748095512390137,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC[NH+](C)NC",
        "std_free_energy": -4.813447952270508,
        "relative_population": 0.4534484413084825
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCN(C)[NH2+]C",
        "std_free_energy": -5.000195026397705,
        "relative_population": 0.5465515586915174
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.85,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 6.8499999,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]