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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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181172 76715685 1 SN2O6C25H38 AB2C6D25E38 -242.6 5.62 -9.42 0.02 0
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181173 76715686 1 FS2N4O7C47H55 AB2C4D7E47F55 -229.12 10.58 -8.38 -0.84 0
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181174 76715687 1 BrS2N3O6C37H42 AB2C3D6E37F42 -151.87 1.11 -9.2 -0.84 0
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181175 76715688 1 FSN4O6C42H53 ABC4D6E42F53 -224.92 6.87 -8.84 -0.2 0
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181176 76715689 1 FSN3O7C33H44 ABC3D7E33F44 -311.96 6.66 -9.27 -0.2 0
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181177 76715690 1 SN4O6C37H42 AB4C6D37E42 -133.98 1.14 -9.28 -0.96 0
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181178 76715691 1 SN3O7C47H53 AB3C7D47E53 -156.09 7.33 -8.97 -0.74 0
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181179 76715692 1 S2N5O7C45H55 A2B5C7D45E55 -187.05 1.98 -8.55 -1.03 0
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181180 76715693 1 FCl2S2N4O7C46H51 AB2C2D4E7F46G51 -240.34 5.73 -8.44 -0.91 0
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181181 76715694 1 FS2N3O6C37H42 AB2C3D6E37F42 -200.03 4.07 -9.21 -0.72 0
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181182 76715695 1 SF2N2O5C34H36 AB2C2D5E34F36 -220.01 7.42 -9.35 -0.81 0
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181183 76715696 1 S2F3N5O8C48H56 A2B3C5D8E48F56 -355.94 7.7 -8.74 -1.2 0
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181184 76715697 1 FS2N4O7C48H57 AB2C4D7E48F57 -226.57 0.79 -8.71 -1.21 0
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181185 76715698 1 ClSN2O6C35H41 ABC2D6E35F41 -183.68 5.13 -9.31 -0.49 0
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181186 76715699 1 S2N3O5C29H35 A2B3C5D29E35 -138.44 9.1 -8.86 -0.79 0
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181187 76715700 1 FN2O5C35H37 AB2C5D35E37 -170.83 6.66 -8.99 -0.68 0
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181188 76715701 1 N3O5C49H51 A3B5C49D51 -57.6 4.26 -8.94 -0.55 0
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181189 76715702 1 FSN3O6C40H42 ABC3D6E40F42 -148.69 5.1 -8.69 -0.57 0
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181190 76715703 1 ClSN2O5C33H35 ABC2D5E33F35 -135.11 8.44 -9.46 -0.96 0
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181191 76715704 1 FSN4O6C41H51 ABC4D6E41F51 -221.37 7.57 -8.7 -0.07 0
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181192 76715705 2 NO3C21H22 AB3C21D22 -144.82 3.67 -8.98 -0.61 0
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181193 76715706 1 FSN4O7C39H47 ABC4D7E39F47 -267.13 6.91 -8.6 -0.36 0
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181194 76715707 1 SN2O6C35H40 AB2C6D35E40 -175.86 2.8 -8.74 -0.66 0
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181195 76715708 1 SN3O8C39H47 AB3C8D39E47 -224.23 4.04 -8.77 -0.69 0
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181196 76715709 1 FS2N4O7C50H61 AB2C4D7E50F61 -224.03 9.8 -8.78 -1.25 0
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181197 76715710 1 S2N5O7C40H51 A2B5C7D40E51 -195.0 4.68 -8.6 -1.06 0
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181198 76715711 1 FSN4O6C39H45 ABC4D6E39F45 -205.44 6.14 -8.97 -0.66 0
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181199 76715712 1 N3O5C42H45 A3B5C42D45 -61.49 7.13 -8.71 -0.86 0
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181200 76715713 1 FSN2O5C34H37 ABC2D5E34F37 -172.57 6.15 -9.5 -1.01 0
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181201 76715714 1 N2O5C35H38 A2B5C35D38 -118.86 4.35 -9.22 -0.72 0
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181202 76715715 1 FSN4O8C39H47 ABC4D8E39F47 -303.15 3.52 -8.88 -0.11 0
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181203 76715716 1 FSN3O7C40H48 ABC3D7E40F48 -289.86 6.82 -9.15 -0.34 0
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181204 76715717 1 N2O5C25H32 A2B5C25D32 -175.05 7.07 -8.98 -0.31 -2
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181206 76715719 1 S2N3O7C38H45 A2B3C7D38E45 -193.94 7.77 -8.73 -0.67 0
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181207 76715720 1 SF3N3O7C39H44 AB3C3D7E39F44 -362.82 6.54 -9.92 -0.64 0
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181208 76715721 1 SN3O5C40H43 AB3C5D40E43 -68.17 7.1 -8.75 -0.8 0
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181209 76715722 1 SF2N2O5C33H34 AB2C2D5E33F34 -217.64 5.44 -9.26 -0.71 0
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181210 76715723 1 BrSN2O5C34H37 ABC2D5E34F37 -122.93 6.01 -9.47 -1.12 0
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181211 76715724 1 SN3O8C28H37 AB3C8D28E37 -305.48 5.01 -9.71 -0.82 0
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181212 76715725 1 ClS2N3O6C38H44 AB2C3D6E38F44 -168.02 4.6 -9.13 -0.8 1
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181213 76715726 1 S2N4O6C33H41 A2B4C6D33E41 -118.9 13.19 0.0 0.0 0
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181214 76715727 1 S2N4O6C33H40 A2B4C6D33E40 -136.03 8.9 -8.72 -1.16 0
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181215 76715728 1 FSN6O8C36H51 ABC6D8E36F51 -352.2 2.8 -8.95 -0.53 0
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181216 76715942 1 FN2O5C26H33 AB2C5D26E33 -235.64 6.84 -9.16 -0.34 0
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181217 76715943 1 SN3O7C46H51 AB3C7D46E51 -166.32 9.98 -9.22 -1.14 0
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181218 76715977 1 FN3O5C41H42 AB3C5D41E42 -101.71 4.16 -8.86 -0.62 0
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181219 76716033 1 SN6O6C31H44 AB6C6D31E44 -182.91 7.91 -9.27 -0.5 0
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181220 76716838 1 W5C8H10 A5B8C10 -568.61 10.5 -6.99 -1.98 0
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181221 76717395 1 NSF5O6C14H14 ABC5D6E14F14 -462.85 8.76 -10.03 -1.26 0
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181222 76717693 1 ClSF3O3N6H16C21 ABC3D3E6F16G21 -194.4 5.97 -9.38 -1.72 1