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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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293500 117391902 1 N3C16H21 A3B16C21 37.86 3.16 -8.68 0.15 0
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293501 117391911 1 NSO2C13H21 ABC2D13E21 -75.54 1.61 -8.36 -0.17 0
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293502 117391914 1 NSO2C13H21 ABC2D13E21 -73.4 2.28 -8.14 0.02 0
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293503 117391915 1 NSO2C13H21 ABC2D13E21 -77.34 2.99 -7.95 0.02 0
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293504 117391936 1 NSO2C13H21 ABC2D13E21 -82.46 1.29 -8.57 -0.05 0
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293505 117391939 1 NOS2C12H17 ABC2D12E17 -22.37 3.23 -8.9 -0.75 0
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293506 117392004 1 ClFO2N3H7C10 ABC2D3E7F10 -48.22 2.81 -8.77 -1.05 0
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293507 117392006 1 ClFNO3H7C11 ABCD3E7F11 -93.84 3.76 -9.41 -1.02 0
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293508 117392067 1 ClFNO2H11C12 ABCD2E11F12 -75.99 4.84 -9.65 -0.64 0
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293509 117392133 1 ClFON3C11H11 ABCD3E11F11 -23.66 7.47 -9.02 -0.29 0
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293510 117392174 1 ClNO3C12H14 ABC3D12E14 -99.2 1.69 -8.6 -0.31 0
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293511 117392176 1 ClNO3C12H14 ABC3D12E14 -81.78 2.25 -8.75 -0.56 0
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293512 117392187 1 ClNO3C12H14 ABC3D12E14 -100.1 3.42 -9.02 -0.56 0
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293513 117392197 1 ClNO3C12H14 ABC3D12E14 -96.76 3.96 -8.88 -0.67 0
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293514 117392198 1 ClNO3C12H14 ABC3D12E14 -90.85 3.31 -9.0 -0.55 0
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293515 117392201 1 ClNO3C12H14 ABC3D12E14 -97.14 4.46 -9.14 -0.6 0
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293516 117392204 1 ClNO3C12H14 ABC3D12E14 -98.71 1.79 -9.28 -0.68 0
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293517 117392206 1 ClNO3C12H14 ABC3D12E14 -103.36 2.08 -9.11 -0.62 0
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293518 117392275 1 ClNO3C12H14 ABC3D12E14 -56.91 3.99 -8.77 -0.15 0
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293519 117392277 1 ClNO3C12H14 ABC3D12E14 -120.24 7.97 -9.22 -0.59 0
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293520 117392353 1 ClNO3C12H14 ABC3D12E14 -84.53 1.51 -8.67 -0.4 0
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293521 117392380 1 ClNO2C13H18 ABC2D13E18 -86.8 4.54 -8.73 -0.35 0
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293522 117392383 1 ClNO2C13H18 ABC2D13E18 -86.25 3.58 -8.73 -0.24 0
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293523 117392386 1 ClNO2C13H18 ABC2D13E18 -88.41 0.6 -8.67 -0.21 0
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293524 117392388 1 ClNO2C13H18 ABC2D13E18 -81.93 3.58 -8.7 -0.21 0