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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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37328 8019823 1 NO4C21H23 AB4C21D23 -131.49 4.87 -8.67 -0.18 1
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37329 8019825 1 ClN3O4C17H19 AB3C4D17E19 -35.77 8.88 0.0 0.0 0
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37330 8019826 1 ClN3O4C17H18 AB3C4D17E18 -52.0 10.1 -9.15 -1.19 0
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37331 8019832 1 O5C17H18 A5B17C18 -150.26 1.34 -8.73 -0.08 0
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37332 8019836 1 NO3C22H25 AB3C22D25 -81.36 4.43 -9.07 0.13 0
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37333 8019843 1 ClNO4C21H22 ABC4D21E22 -135.72 6.28 -8.53 -0.4 1
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37334 8019844 1 N3O3C25H28 A3B3C25D28 -40.29 5.26 0.0 0.0 0
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37335 8019850 1 NO7C21H27 AB7C21D27 -230.66 6.15 -8.5 -0.02 0
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37336 8019851 1 OS2N6H18C19 AB2C6D18E19 92.06 6.04 -8.72 -1.15 0
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37337 8019867 1 NO4C22H23 AB4C22D23 -103.58 6.38 -8.28 -0.28 0
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37338 8019868 1 SN2O3C17H18 AB2C3D17E18 -62.0 4.15 -8.6 -0.6 0
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37339 8019878 1 Cl2N2O3C14H16 A2B2C3D14E16 -134.64 3.03 -9.27 -0.99 0
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37340 8019885 1 NO6C15H17 AB6C15D17 -166.84 4.66 -9.89 -1.34 0
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37341 8019886 1 NO5C19H19 AB5C19D19 -122.01 6.5 -8.73 -0.86 0
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37342 8019917 1 BrN2O5C15H17 AB2C5D15E17 -149.6 2.87 -9.32 -0.38 0
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37343 8019933 1 SN2O5C20H28 AB2C5D20E28 -212.55 4.11 -9.52 -0.72 0
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37344 8019936 1 NO3C20H21 AB3C20D21 -95.49 3.75 -8.84 -0.13 0
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37345 8020002 1 SN2O3C16H18 AB2C3D16E18 -85.9 6.7 -8.95 -0.82 0
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37346 8020028 1 NO3C19H29 AB3C19D29 -178.43 3.29 -9.6 0.33 0
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37347 8020038 1 SN4O4C19H20 AB4C4D19E20 -114.01 10.28 -8.81 -0.59 0
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37348 8020063 2 NO2C5H8 AB2C5D8 -188.82 3.17 -10.35 0.13 0
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37349 8020066 1 Cl2N2O3C14H16 A2B2C3D14E16 -126.67 5.06 -9.11 -0.81 0
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37350 8020068 1 SN2O3C15H16 AB2C3D15E16 -61.35 6.41 -8.9 -0.8 0
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37351 8020074 1 SN2O3C15H16 AB2C3D15E16 -69.82 1.16 -8.72 -0.81 0
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37352 8020084 1 NO5C17H21 AB5C17D21 -194.06 3.28 -8.87 -0.24 0