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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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97120 50028127 2 FN3O3C18H20 AB3C3D18E20 -288.9 16.02 -8.83 -1.01 0
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97121 50028128 1 SO4N7C30H37 AB4C7D30E37 -109.91 14.23 -8.56 -0.73 0
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97122 50028132 1 ClFO4N5C33H37 ABC4D5E33F37 -181.42 10.82 -8.57 -0.42 0
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97123 50028137 1 ClO5N6C37H45 AB5C6D37E45 -198.51 4.13 -8.9 -0.67 0
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97124 50028138 1 ClO5N6C40H49 AB5C6D40E49 -196.32 7.38 -8.62 -0.62 0
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97125 50028141 1 ClO5N6C38H45 AB5C6D38E45 -179.74 12.46 -8.72 -0.44 0
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97126 50028147 1 FO5N6C40H43 AB5C6D40E43 -191.92 5.99 -8.47 -0.71 0
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97127 50028155 1 FO5N6C41H45 AB5C6D41E45 -198.74 9.65 -8.61 -0.4 0
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97128 50028156 1 O5N6C40H50 A5B6C40D50 -185.2 6.65 -8.49 -0.4 0
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97129 50028163 1 ClF2O5N6C36H41 AB2C5D6E36F41 -270.0 13.81 -8.84 -1.12 0
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97130 50028164 1 ClF2O5N6C36H39 AB2C5D6E36F39 -254.22 8.01 -8.66 -1.0 0
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97131 50028165 1 ClF2O5N6C37H41 AB2C5D6E37F41 -264.98 9.21 -8.9 -0.83 0
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97132 50028166 1 ClF2O5N6C38H43 AB2C5D6E38F43 -269.84 6.15 -9.18 -0.86 0
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97133 50028172 1 BrF2O4N5C32H34 AB2C4D5E32F34 -209.44 3.4 -9.07 -0.52 0
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97134 50028173 1 ClF2O4N5C33H36 AB2C4D5E33F36 -223.99 11.4 -8.96 -0.43 0
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97135 50028174 1 F2O5N6C34H38 A2B5C6D34E38 -261.01 7.96 -8.38 -0.52 0
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97136 50028175 1 F2O4N5C35H41 A2B4C5D35E41 -227.09 9.88 -8.89 -0.39 0
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97137 50028176 1 ClF2O4N5C33H36 AB2C4D5E33F36 -225.62 9.25 -8.88 -0.39 0
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97138 50028177 1 ClF2O4N5C33H36 AB2C4D5E33F36 -230.58 9.09 -8.74 -0.4 0
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97139 50028183 1 F3O5N6C40H41 A3B5C6D40E41 -274.75 4.61 -8.91 -0.7 0
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97140 50028188 1 F3O5N6C40H41 A3B5C6D40E41 -276.32 8.05 -8.95 -0.59 0
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97141 50028194 1 FO5N6C42H51 AB5C6D42E51 -228.21 3.17 -9.07 -0.58 0
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97142 50028203 1 ClFO5N6C41H48 ABC5D6E41F48 -238.4 14.38 -8.62 -0.97 0
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97143 50028218 1 FO5N6C43H53 AB5C6D43E53 -237.21 9.39 -8.57 -0.22 0
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97144 50028220 1 F2O5N6C42H44 A2B5C6D42E44 -234.96 13.13 -8.86 -0.68 0