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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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94133 49998678 1 ClO5N6C40H49 AB5C6D40E49 -198.63 1.56 -8.8 -0.76 0
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94134 49998679 1 O5N6C41H52 A5B6C41D52 -205.58 10.59 -8.77 -0.26 0
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94135 49998682 1 FN6O6C40H49 AB6C6D40E49 -263.75 6.43 -8.24 -0.51 0
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94136 49998694 1 FO5N6C40H49 AB5C6D40E49 -240.68 1.89 -8.96 -0.51 0
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94137 49998700 1 O5N6C37H52 A5B6C37D52 -240.06 5.57 -8.97 -0.43 0
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94138 49998701 1 O5N6C40H56 A5B6C40D56 -239.15 5.62 -9.02 -0.33 0
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94139 49998716 1 N6O6C41H52 A6B6C41D52 -234.3 6.02 -8.66 -0.32 0
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94140 49998720 1 O5N6C36H50 A5B6C36D50 -231.74 9.5 -8.73 -0.27 0
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94141 49998723 1 O5N6C38H54 A5B6C38D54 -245.34 7.26 -8.54 -0.37 0
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94142 49998724 1 O5N6C41H52 A5B6C41D52 -201.08 1.07 -8.35 -0.28 0
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94143 49998725 1 ClO5N6C40H49 AB5C6D40E49 -203.08 8.38 -8.79 -0.85 0
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94144 49998727 1 O5N6C40H50 A5B6C40D50 -185.53 7.7 -8.71 -0.37 0
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94145 49998733 1 O5N6C37H52 A5B6C37D52 -242.0 4.61 -8.61 -0.24 0
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94146 49998734 1 O5N6C36H50 A5B6C36D50 -231.71 4.74 -8.8 -0.2 0
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94147 49998738 1 N6O7C38H52 A6B7C38D52 -290.81 6.61 -8.83 -0.41 0
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94148 49998741 1 N6O6C41H58 A6B6C41D58 -273.87 6.21 -8.91 -0.3 0
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94149 49998743 1 N6O6C35H48 A6B6C35D48 -247.54 14.23 -8.55 -0.69 0
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94150 49998745 2 N3O3C20H25 A3B3C20D25 -224.94 6.02 -8.66 -0.51 0
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94151 49998747 1 ClO5N6C35H41 AB5C6D35E41 -181.05 6.93 -8.31 -0.72 0
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94152 49998771 1 O5N6C39H54 A5B6C39D54 -238.05 4.46 -8.95 -0.35 0
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94153 49998774 1 FO5N6C36H43 AB5C6D36E43 -231.03 5.86 -8.36 -0.56 0
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94154 49998775 1 FO5N6C36H43 AB5C6D36E43 -230.3 2.27 -8.44 -0.67 0
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94155 49998778 1 ClO5N6C36H43 AB5C6D36E43 -188.6 7.44 -8.82 -0.71 0
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94156 49998779 1 O5N6C33H46 A5B6C33D46 -223.81 2.63 -8.31 -0.23 0
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94157 49998780 1 O5N6C32H44 A5B6C32D44 -226.48 9.88 -8.31 -0.2 0