[
  {
    "molid": "mol15360",
    "smiles": "CON=C(C)CC(C)(C)NCCNC(C)(C)CC(C)=NO",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CON=C(C)CC(C)(C)[NH2+]CCNC(C)(C)CC(C)=NO",
        "std_free_energy": -8.400286674499512,
        "relative_population": 0.43311661564267107
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CON=C(C)CC(C)(C)NCC[NH2+]C(C)(C)CC(C)=NO",
        "std_free_energy": -8.601690292358398,
        "relative_population": 0.5297528779508291
      },
      {
        "id": "2_7",
        "charge": 2,
        "smiles": "CON=C(C)CC(C)(C)[NH2+]CC[NH2+]C(C)(C)CC(C)=NO",
        "std_free_energy": -8.814505577087402,
        "relative_population": 0.9911240647564525
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.28,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 6.2800002,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "OCHEM"
      }
    ]
  }
]