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        "molfile": "\n  Marvin  01132105532D          \n\n 35 34  0  0  0  0            999 V2000\n    1.6241   -3.2774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.6241   -4.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.9096   -4.5149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.3386   -4.5149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0530   -4.1024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.3386   -5.3399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.0344   -2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.3199   -2.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.6055   -2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.8910   -2.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.1766   -2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.4621   -2.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.7476   -2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.0332   -2.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.6813   -2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.3958   -2.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.1102   -2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8247   -2.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5391   -2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2536   -2.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9681   -2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6825   -2.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6825   -3.3318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3970   -2.0944    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1114   -2.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8259   -2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5404   -2.5068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.2548   -2.0944    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    9.2548   -1.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.9693   -0.8569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.6837   -1.2694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.6837   -2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.9693   -2.5068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.7489   -2.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.0344   -1.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  1  0  0  0  0\n  2  4  1  0  0  0  0\n  4  5  1  0  0  0  0\n  4  6  2  0  0  0  0\n  7  8  1  0  0  0  0\n  8  9  1  0  0  0  0\n  9 10  1  0  0  0  0\n 10 11  1  0  0  0  0\n 11 12  1  0  0  0  0\n 12 13  1  0  0  0  0\n 13 14  1  0  0  0  0\n 14 15  1  0  0  0  0\n 15 16  1  0  0  0  0\n 16 17  1  0  0  0  0\n 17 18  1  0  0  0  0\n 18 19  1  0  0  0  0\n 19 20  1  0  0  0  0\n 20 21  1  0  0  0  0\n 21 22  1  0  0  0  0\n 22 23  2  0  0  0  0\n 22 24  1  0  0  0  0\n 24 25  1  0  0  0  0\n 25 26  1  0  0  0  0\n 26 27  1  0  0  0  0\n 27 28  1  0  0  0  0\n 29 28  1  0  0  0  0\n 30 29  1  0  0  0  0\n 31 30  1  0  0  0  0\n 32 31  1  0  0  0  0\n 33 32  1  0  0  0  0\n 28 33  1  0  0  0  0\n  7 34  1  0  0  0  0\n  7 35  1  0  0  0  0\nM  END",
        "smiles": "CC(C)CCCCCCCCCCCCCCC(=O)NCCCN1CCOCC1.CC(C(=O)O)O",
        "formula": "C25H50N2O2.C3H6O3",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "RACEMIC",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "500.7557",
        "optical_activity": "( + / - )",
        "references": [
          "6067352e-ca30-4afc-8d02-49756893f288",
          "b0156ce0-2fcf-4bb8-accf-1bbdd9c24ae8"
        ],
        "stereo_centers": 1
      },
      "unii": "082Y3WQI5K"
    }
  ]
}