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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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95787 50014704 1 ClO5N6C35H47 AB5C6D35E47 -219.19 12.91 -9.19 -0.72 0
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95788 50014706 1 ClN6O6C34H45 AB6C6D34E45 -253.62 1.4 -9.02 -1.05 0
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95789 50014838 1 O4N5C31H43 A4B5C31D43 -178.17 5.89 -8.89 -0.2 0
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95790 50014851 1 O4N5C32H45 A4B5C32D45 -180.2 11.24 -8.65 -0.55 0
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95791 50014852 1 ClO4N5C31H42 AB4C5D31E42 -176.79 6.18 -8.98 -0.52 0
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95792 50014853 1 O4N5C32H43 A4B5C32D43 -174.3 2.81 -8.86 -0.59 0
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95793 50014854 1 BrO4N5C30H40 AB4C5D30E40 -166.73 10.32 -8.9 -0.28 0
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95794 50014939 1 FO4N5C29H38 AB4C5D29E38 -211.11 4.57 -9.02 -0.33 0
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95795 50014983 1 O4N5C31H43 A4B5C31D43 -125.51 2.37 -8.94 -0.5 0
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95796 50015092 1 SO4N7C27H39 AB4C7D27E39 -129.13 4.87 -8.99 -0.99 0
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95797 50015133 1 FO4N5C29H38 AB4C5D29E38 -202.23 5.45 -8.86 -0.09 0
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95798 50015140 1 ClFO4N5C28H35 ABC4D5E28F35 -209.08 3.78 -9.04 -0.58 0
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95799 50015168 1 F2O5N6C41H50 A2B5C6D41E50 -291.05 8.35 -8.9 -0.56 0
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95800 50015189 1 FO4N5C29H38 AB4C5D29E38 -209.71 3.84 -8.93 -0.32 0
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95801 50015211 1 F2O5N6C41H50 A2B5C6D41E50 -291.81 4.55 -8.98 -0.71 0
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95802 50015230 1 F4O5N6C41H42 A4B5C6D41E42 -325.57 8.25 -9.27 -0.93 0
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95803 50015231 1 F3O5N6C42H45 A3B5C6D42E45 -301.19 9.04 -8.89 -0.62 0
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95804 50015234 1 ClO4N5C31H42 AB4C5D31E42 -174.78 11.32 -8.65 -0.86 0
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95805 50015235 1 N5O5C30H41 A5B5C30D41 -197.83 10.08 -8.39 -0.12 0
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95806 50015236 1 ClO4N5C28H36 AB4C5D28E36 -167.0 9.32 -8.93 -0.5 0
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95807 50015242 1 F2O5N6C39H46 A2B5C6D39E46 -274.07 4.98 -9.1 -0.75 0
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95808 50015249 1 ClF2O5N6C41H43 AB2C5D6E41F43 -247.9 11.33 -8.67 -0.75 0
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95809 50015263 1 N5O5C29H39 A5B5C29D39 -195.36 10.84 -8.42 -0.18 0
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95810 50015285 1 O4N5C31H43 A4B5C31D43 -177.41 6.65 -8.63 -0.09 0
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95811 50015302 1 O5N6C30H40 A5B6C30D40 -208.29 11.08 -8.79 -0.85 0