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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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93518 49995113 2 N3O3C20H25 A3B3C20D25 -232.72 9.24 -8.3 -0.49 0
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93519 49995114 1 FO5N6C39H47 AB5C6D39E47 -237.36 6.99 -8.51 -0.55 0
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93520 49995115 1 O5N6C40H50 A5B6C40D50 -190.72 7.48 -8.81 -0.3 0
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93522 49995120 1 FO5N6C39H47 AB5C6D39E47 -238.27 3.12 -8.49 -0.85 0
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93523 49995122 2 N3O3C20H25 A3B3C20D25 -230.17 9.75 -8.64 -0.35 0
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93525 49995128 1 BrO4N5C34H46 AB4C5D34E46 -196.82 6.87 -8.81 -0.29 0
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93526 49995129 1 N5O6C34H47 A5B6C34D47 -251.21 11.2 -8.68 -0.46 0
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93527 49995130 1 N5O5C34H47 A5B5C34D47 -197.83 6.35 -8.81 -0.24 0
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93528 49995133 1 BrO4N5C34H46 AB4C5D34E46 -185.4 8.56 -8.81 -0.28 0
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93529 49995134 1 FO4N5C32H42 AB4C5D32E42 -212.46 6.68 -8.9 -0.26 0
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93530 49995138 1 FO4N5C38H46 AB4C5D38E46 -200.4 4.66 -8.83 -0.48 0
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93532 49995144 1 FO4N5C34H46 AB4C5D34E46 -232.26 3.72 -8.78 -0.26 0
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93533 49995146 1 FO4N5C32H42 AB4C5D32E42 -223.58 1.94 -8.82 -0.31 0
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93534 49995147 1 FO4N5C35H48 AB4C5D35E48 -231.01 2.51 -8.78 -0.22 0
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93535 49995148 1 O5N6C37H52 A5B6C37D52 -230.98 5.59 -8.92 -0.42 0
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93536 49995152 1 FO5N6C40H49 AB5C6D40E49 -242.4 11.65 -8.89 -0.74 0
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93537 49995153 1 FO5N6C40H49 AB5C6D40E49 -236.39 9.41 -8.8 -0.9 0
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93538 49995154 1 F2O5N6C39H46 A2B5C6D39E46 -277.79 12.58 -8.95 -0.72 0
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93539 49995160 1 O5N6C36H50 A5B6C36D50 -228.78 12.14 -8.75 -0.49 0
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93540 49995162 1 ClO5N6C39H47 AB5C6D39E47 -200.66 5.49 -8.28 -0.67 0
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93541 49995163 1 O5N6C34H46 A5B6C34D46 -223.94 3.88 -8.55 -0.17 0
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93542 49995165 1 FO5N6C40H49 AB5C6D40E49 -243.8 6.13 -8.36 -0.24 0
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93543 49995166 1 O5N6C39H54 A5B6C39D54 -241.43 7.85 -8.1 -0.55 0
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93545 49995172 1 BrFO4N5C32H41 ABC4D5E32F41 -214.03 1.91 -8.99 -0.66 0
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93546 49995188 1 F2O5N6C39H46 A2B5C6D39E46 -278.81 8.65 -9.09 -0.85 0