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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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254100 103122692 1 BrON3C13H14 ABC3D13E14 15.85 7.91 -8.68 -0.33 0
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254101 103122713 1 BrON4C14H17 ABC4D14E17 6.46 3.02 -9.22 -1.09 0
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254102 103122727 1 BrO2N3C14H16 AB2C3D14E16 -23.67 7.41 -8.21 -0.36 0
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254103 103122736 1 BrON3C13H16 ABC3D13E16 -6.32 1.36 -9.11 -0.79 0
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254104 103122747 1 BrON4H13C15 ABC4D13E15 48.25 4.1 -9.02 -1.27 0
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254105 103122763 1 BrON3C15H18 ABC3D15E18 2.23 3.77 -9.25 -0.92 0
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254106 103122774 1 ClON3C12H18 ABC3D12E18 -31.24 6.4 -9.54 0.08 0
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254107 103122780 1 ClON3C14H18 ABC3D14E18 -15.62 5.83 -8.98 -0.61 0
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254108 103122782 1 BrON4C12H15 ABC4D12E15 14.79 4.11 -9.68 -1.31 0
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254109 103122783 1 BrON3C14H18 ABC3D14E18 -5.04 5.84 -8.98 -0.61 0
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254110 103122786 1 ClON3C14H16 ABC3D14E16 17.39 3.01 -8.84 -0.46 0
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254111 103122788 1 BrON4C12H13 ABC4D12E13 47.23 3.51 -9.67 -1.29 0
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254112 103122801 1 BrO2N3C12H18 AB2C3D12E18 -50.55 5.68 -9.29 -0.31 0
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254113 103122810 1 ClON3C16H20 ABC3D16E20 -14.58 5.05 -9.3 -1.01 0
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254114 103122814 1 ION4C9H9 ABC4D9E9 46.64 1.9 -9.67 -1.28 0
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254115 103122818 1 ClON4C12H15 ABC4D12E15 0.17 3.73 -9.69 -1.3 0
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254116 103122824 1 ClON4C14H17 ABC4D14E17 1.01 1.97 -9.59 -1.22 0
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254117 103122827 1 ClON3C12H18 ABC3D12E18 -33.86 4.62 -9.55 0.18 0
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254118 103122830 1 BrON3C15H18 ABC3D15E18 -8.26 1.5 -9.08 -0.79 0
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254119 103122834 1 ClON4C11H13 ABC4D11E13 19.04 3.22 -9.53 -1.25 0
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254120 103122840 1 BrON3C9H14 ABC3D9E14 -11.34 4.88 -9.08 0.12 0
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254121 103122845 1 BrO2N3C14H18 AB2C3D14E18 -27.84 4.94 -8.71 -0.41 0
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254122 103122852 1 BrON3C13H16 ABC3D13E16 9.37 4.9 -9.16 -0.85 0
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254123 103122857 1 BrON3C14H18 ABC3D14E18 -0.62 4.12 -8.73 -0.33 0
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254124 103122865 1 BrON3C10H16 ABC3D10E16 -22.91 5.77 -9.7 0.02 0
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254125 103122866 1 ClON4C11H13 ABC4D11E13 6.81 0.93 -9.66 -1.29 0
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254126 103122870 1 BrON3C13H16 ABC3D13E16 -3.54 3.28 -8.91 -0.53 0
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254127 103122885 1 ClON3C10H16 ABC3D10E16 -34.55 4.29 -9.7 0.05 0
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254128 103122888 1 BrON3C10H16 ABC3D10E16 -25.27 3.87 -9.72 -0.13 0
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254129 103122892 1 BrON4C12H15 ABC4D12E15 14.08 2.21 -9.66 -1.28 0
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254130 103122900 1 BrON3C10H16 ABC3D10E16 -14.38 6.95 -9.28 0.01 0
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254131 103122909 1 ClON3C12H12 ABC3D12E12 26.11 1.98 -9.28 -0.93 0
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254132 103122919 1 BrON3C10H16 ABC3D10E16 -27.09 7.6 -9.72 -0.02 0
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254133 103122927 1 ClO2N3C10H14 AB2C3D10E14 -50.64 7.92 -9.39 0.06 0
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254134 103122938 1 BrON3C12H18 ABC3D12E18 -13.95 7.35 -9.44 0.12 0
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254135 103122958 1 ClO2N3C12H18 AB2C3D12E18 -67.31 3.46 -9.12 0.11 0
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254136 103122992 1 BrON3C15H18 ABC3D15E18 21.21 2.36 -9.19 -0.94 0
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254137 103122993 1 BrON3C12H18 ABC3D12E18 -2.77 4.98 -9.32 -0.06 0
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254138 103123002 1 BrON3C14H16 ABC3D14E16 22.87 3.9 -9.05 -0.74 0
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254139 103123005 1 ClO2N4C13H15 AB2C4D13E15 -21.5 3.53 -9.43 -1.35 0
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254140 103123017 1 ClON3C14H16 ABC3D14E16 -3.35 4.43 -9.02 -0.69 0
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254141 103123043 1 O2N5C13H23 A2B5C13D23 -45.14 6.99 -9.17 -0.38 0
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254142 103123049 1 ON5C11H15 AB5C11D15 31.4 3.36 -9.19 -1.19 0
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254143 103123052 1 ON4C16H16 AB4C16D16 47.81 2.06 -9.09 -0.78 0
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254144 103123055 1 ON4C14H18 AB4C14D18 15.86 5.92 -9.15 -0.02 0
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254145 103123059 2 ON2C5H9 AB2C5D9 -40.2 8.3 -9.08 0.22 0
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254146 103123062 1 ON5C14H21 AB5C14D21 16.59 4.42 -9.28 -0.98 0
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254147 103123078 1 O3N6C12H16 A3B6C12D16 -19.41 3.54 -9.5 -1.02 0
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254148 103123082 1 O2N6C13H18 A2B6C13D18 -4.26 5.57 -9.13 -0.59 0
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254149 103123091 1 O3N4C12H18 A3B4C12D18 -78.08 6.06 -9.47 -0.76 0