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          "smiles": "CCCCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1",
          "formula": "C27H50N",
          "atropisomerism": "No",
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          "stereochemistry": "RACEMIC",
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      "uuid": "357c7338-2aee-4934-a8a9-39482e5dab21",
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        "molfile": "\n  Marvin  01132103132D          \n\n 29 28  0  0  0  0            999 V2000\n   12.3615   -1.2648    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n   13.0923   -1.6450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.8096   -1.2486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.7979   -1.8283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.7283   -0.0270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.2316   -0.3802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.8096   -0.4234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.5081   -1.6288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.0051   -1.6126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.8036   -4.7677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.3699   -4.1906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.1789   -4.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.7587   -3.8104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5353   -4.0396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.1124   -3.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9214   -3.6729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5012   -3.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3102   -3.2926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.8873   -2.7129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.6478   -2.9232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.2302   -2.3461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.0392   -2.5592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.6298   -1.9767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.4064   -2.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000   -4.5574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.2415   -1.2486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.5242    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.2415   -0.4072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.4208   -3.3978    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0\n  2  1  1  0  0  0  0\n  3  2  1  0  0  0  0\n  4  1  1  0  0  0  0\n  5  1  1  0  0  0  0\n  6  1  1  0  0  0  0\n  7  3  1  0  0  0  0\n  8  3  2  0  0  0  0\n  9  4  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  1  0  0  0  0\n 23 24  1  0  0  0  0\n 24  9  1  0  0  0  0\n 25 10  1  0  0  0  0\n 26  8  1  0  0  0  0\n 27  7  2  0  0  0  0\n 28 27  1  0  0  0  0\n 26 28  2  0  0  0  0\nM  CHG  2   1   1  29  -1\nM  END",
        "smiles": "CCCCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1.[Cl-]",
        "formula": "C27H50N.Cl",
        "atropisomerism": "No",
        "charge": 0,
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        "stereochemistry": "ACHIRAL",
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        "optical_activity": "NONE",
        "references": [
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}