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          "molfile": "\n  Marvin  01132106562D          \n\n 21 22  0  0  0  0            999 V2000\n   10.2473   -4.9311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.5237   -5.3325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.8090   -4.9311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.8090   -4.1061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0856   -3.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3841   -4.1061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6693   -3.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6693   -2.8707    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3841   -2.4428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0856   -2.8707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.8090   -2.4428    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    9.5237   -2.8707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.8090   -1.6311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9459   -2.4428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9459   -1.6311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2312   -1.2076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5077   -1.6311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5077   -2.4428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2312   -2.8707    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3841   -4.9311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0856   -5.3325    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  3  4  1  0  0  0  0\n  3 21  2  0  0  0  0\n  4  5  2  0  0  0  0\n  5  6  1  0  0  0  0\n  6  7  1  0  0  0  0\n 20  6  2  0  0  0  0\n  7  8  1  0  0  0  0\n  9  8  1  0  0  0  0\n 14  8  1  0  0  0  0\n 10  9  1  0  0  0  0\n 11 10  1  0  0  0  0\n 12 11  1  0  0  0  0\n 13 11  1  0  0  0  0\n 15 14  1  0  0  0  0\n 19 14  2  0  0  0  0\n 16 15  2  0  0  0  0\n 17 16  1  0  0  0  0\n 18 17  2  0  0  0  0\n 18 19  1  0  0  0  0\n 21 20  1  0  0  0  0\nM  END",
          "smiles": "CN(C)CCN(Cc1ccc(cc1)OC)c2ccccn2",
          "formula": "C17H23N3O",
          "atropisomerism": "No",
          "charge": 0,
          "count": 1,
          "stereochemistry": "ACHIRAL",
          "count_amount": {
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            "average": 1,
            "units": "MOL RATIO",
            "uuid": "a77ddb74-9219-4cf3-9159-5da1aa7bb97d"
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      "definition_level": "COMPLETE",
      "uuid": "d4e006de-d143-4755-8ccc-ed9195d9f31f",
      "version": "29",
      "structure": {
        "id": "e5b117f0-0159-4bcd-ab9d-5106738e0208",
        "molfile": "\n  Marvin  01132111532D          \n\n 29 29  0  0  0  0            999 V2000\n    6.6960   -2.8822    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9697   -2.4526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9697   -1.6376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2521   -1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5257   -1.6376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5257   -2.4526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2521   -2.8822    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6960   -3.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.4136   -4.1225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.4136   -4.9508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.1179   -5.3538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.8442   -4.9508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.5618   -5.3538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.2883   -4.9508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.8442   -4.1225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.1179   -3.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.4136   -2.4526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.1179   -2.8822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.8442   -2.4526    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    9.5618   -2.8822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.8442   -1.6376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4327   -4.5122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0084   -4.1757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6640   -4.5389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6640   -5.1944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2000   -5.5221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1679   -5.4956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4327   -5.1723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.8524   -4.1800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  7  2  1  0  0  0  0\n  8  1  1  0  0  0  0\n  9  8  1  0  0  0  0\n 10  9  2  0  0  0  0\n 11 10  1  0  0  0  0\n 12 11  2  0  0  0  0\n 13 12  1  0  0  0  0\n 14 13  1  0  0  0  0\n 12 15  1  0  0  0  0\n 15 16  2  0  0  0  0\n 16  9  1  0  0  0  0\n 17  1  1  0  0  0  0\n 18 17  1  0  0  0  0\n 19 18  1  0  0  0  0\n 20 19  1  0  0  0  0\n 21 19  1  0  0  0  0\n  2  1  1  0  0  0  0\n  3  2  2  0  0  0  0\n  4  3  1  0  0  0  0\n  5  4  2  0  0  0  0\n  6  5  1  0  0  0  0\n  6  7  2  0  0  0  0\n 23 22  1  0  0  0  0\n 24 23  2  0  0  0  0\n 25 24  1  0  0  0  0\n 26 25  1  0  0  0  0\n 27 25  2  0  0  0  0\n 28 22  2  0  0  0  0\n 29 22  1  0  0  0  0\nM  END",
        "smiles": "CN(C)CCN(Cc1ccc(cc1)OC)c2ccccn2.C(=C/C(=O)O)/C(=O)O",
        "formula": "C17H23N3O.C4H4O4",
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        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 1,
        "molecular_weight": "401.457",
        "optical_activity": "NONE",
        "references": [
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          "e8869c66-2179-4f0f-9cff-5bf384cb222b"
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}