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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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115976 50542097 1 FO5N6C36H43 AB5C6D36E43 -232.02 9.3 -8.9 -0.56 0
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115977 50542098 1 FO5N6C39H47 AB5C6D39E47 -229.24 6.57 -8.94 -0.47 0
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115978 50542216 1 ClN6O6C35H45 AB6C6D35E45 -251.35 5.64 -8.9 -0.54 0
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115979 50542325 1 ClO5N6C35H47 AB5C6D35E47 -229.68 11.26 -8.79 -0.41 0
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115981 50542374 1 Cl2O5N6C36H48 A2B5C6D36E48 -233.52 2.59 -9.19 -0.73 0
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115982 50542375 1 Cl2O5N6C37H50 A2B5C6D37E50 -233.09 13.69 -8.59 -1.27 0
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115983 50542376 1 Cl2O5N6C38H52 A2B5C6D38E52 -249.3 10.45 -8.99 -0.87 0
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115984 50542377 2 ClN3O3C18H24 AB3C3D18E24 -270.25 6.32 -9.07 -1.05 0
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115985 50542378 1 Cl2O5N6C37H50 A2B5C6D37E50 -248.14 6.55 -9.03 -0.62 0
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115987 50542380 1 ClO4N5C31H40 AB4C5D31E40 -167.61 5.76 -8.44 -0.53 0
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115988 50542381 1 BrClO4N5C31H39 ABC4D5E31F39 -161.63 7.84 -8.86 -0.44 0
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115989 50542382 1 Cl2O4N5C32H41 A2B4C5D32E41 -187.61 8.55 -8.74 -0.53 0
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115990 50542383 1 ClO5N6C33H43 AB5C6D33E43 -220.46 7.21 -8.29 -0.54 0
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115993 50542566 1 Cl2O5N6C36H48 A2B5C6D36E48 -231.56 9.86 -8.81 -0.77 0
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115994 50542567 1 Cl2O5N6C37H50 A2B5C6D37E50 -225.88 3.82 -9.21 -1.08 0
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115995 50542594 1 ClN6O6C36H41 AB6C6D36E41 -198.5 13.09 -8.42 -0.42 0
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115996 50542603 1 ClFO5N6C36H40 ABC5D6E36F40 -213.63 8.7 -8.9 -0.75 0
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115997 50542604 1 Cl2O4N5C29H35 A2B4C5D29E35 -171.99 5.34 -9.07 -0.6 0
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115998 50542621 1 ClFO5N6C37H42 ABC5D6E37F42 -228.26 3.93 -8.88 -0.7 0
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115999 50542622 1 Cl2O5N6C34H44 A2B5C6D34E44 -234.47 11.65 -8.81 -0.97 0
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116000 50542719 1 ClO5N6C35H47 AB5C6D35E47 -229.43 5.25 -8.91 -0.54 0
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116001 50542913 1 ClFO5N6C37H42 ABC5D6E37F42 -229.22 3.71 -9.01 -0.87 0
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116002 50542928 1 ClO5N6C36H47 AB5C6D36E47 -219.6 5.26 -8.51 -0.32 0
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116003 50543011 1 BrClO4N5C31H39 ABC4D5E31F39 -174.41 6.34 -8.98 -0.49 0
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116005 50543159 1 Cl2O4N5C28H35 A2B4C5D28E35 -179.94 6.6 -8.78 -0.36 0