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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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179785 76532825 1 O6C19H38 A6B19C38 -328.62 0.43 -10.05 1.06 0
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179786 76532841 1 N5O5C32H35 A5B5C32D35 -104.71 6.99 -8.78 -0.36 0
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179787 76532998 1 O3N4C24H28 A3B4C24D28 -81.66 2.86 -9.03 -0.68 0
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179788 76533013 2 ON4C17H20 AB4C17D20 57.82 5.74 -8.41 -0.9 0
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179789 76533014 1 O2N8C35H42 A2B8C35D42 41.83 5.57 -8.41 -0.9 0
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179790 76533015 2 ON4C16H19 AB4C16D19 39.3 5.2 -8.36 -0.88 0
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179791 76533016 1 OF2N8C22H26 AB2C8D22E26 -47.89 8.43 -9.16 -1.4 0
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179792 76533017 1 FON8C22H27 ABC8D22E27 2.63 3.25 -9.13 -1.34 0
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179793 76533018 1 FON8C22H27 ABC8D22E27 1.21 4.83 -9.27 -1.46 0
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179794 76533331 4 OC5H8 AB5C8 -122.88 3.72 -7.22 0.23 0
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179795 76533332 1 FO3C21H29 AB3C21D29 -139.75 5.56 -8.93 0.17 0
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179796 76533447 1 SN3O5H17C18 AB3C5D17E18 -131.66 7.15 -9.06 -1.27 0
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179797 76533527 1 ON2C26H34 AB2C26D34 -15.19 5.48 -9.23 -0.38 0
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179798 76533733 1 ON3H25C27 AB3C25D27 125.71 10.02 -9.17 -0.7 0
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179799 76533847 1 OSiC14H26 ABC14D26 -99.87 3.2 -9.05 0.84 0
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179800 76533851 1 IN3O5C25H34 AB3C5D25E34 -186.6 3.2 -9.48 -0.99 0
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179801 76533852 3 O12C27H40 A12B27C40 -657.89 17.65 -7.23 -2.79 0
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179802 76533853 1 N3O5C22H35 A3B5C22D35 -256.56 3.64 -9.48 0.21 0
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179803 76534224 1 ClN3O4C11H14 AB3C4D11E14 -132.11 5.51 -9.75 -1.54 0
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179804 76534225 1 ClNaN3O4C10H11 ABC3D4E10F11 -183.87 11.35 -9.6 -1.77 0
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179805 76534226 1 ClN3O4C10H12 AB3C4D10E12 -129.22 5.76 -9.79 -1.55 0
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179806 76534227 1 ClN3O4C12H16 AB3C4D12E16 -140.47 5.09 -9.75 -1.54 1
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179807 76534349 1 FN5O7C42H47 AB5C7D42E47 -193.02 15.09 0.0 0.0 1
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179808 76534350 1 ClN5O7C42H47 AB5C7D42E47 -165.65 6.71 0.0 0.0 0
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179809 76534377 1 S2O5N6C11H18 A2B5C6D11E18 -115.65 4.8 -9.24 -1.17 0
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179810 76534453 1 SO3N6C10H12 AB3C6D10E12 45.25 4.51 -9.56 -1.07 0
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179811 76534493 1 FON6H23C25 ABC6D23E25 58.89 6.61 -9.03 -1.13 0
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179812 76534657 1 NOC24H31 ABC24D31 -36.12 5.1 -9.21 -0.24 0
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179813 76534757 1 ClNC12H18 ABC12D18 -14.69 5.04 -9.4 0.4 0
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179814 76534902 1 ClN5O6C34H42 AB5C6D34E42 -151.28 2.47 -8.8 -0.54 0
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179815 76535255 1 NO5C22H25 AB5C22D25 -89.93 3.01 -8.65 -0.54 0
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179816 76535451 2 ClON2C11H12 ABC2D11E12 -47.7 1.89 -9.26 -0.47 0
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179817 76535581 1 ClNSO3C24H28 ABCD3E24F28 -115.24 3.35 -8.71 -0.93 0
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179818 76535703 1 BrSN3C12H14 ABC3D12E14 40.97 3.94 -8.64 -0.94 2
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179819 76536300 1 NaO3N5C10H10 AB3C5D10E10 -54.25 6.45 -8.24 -0.89 1
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179820 76536301 1 O3N5C10H10 A3B5C10D10 11.24 4.37 0.0 0.0 0
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179821 76536302 1 ClNO3C17H18 ABC3D17E18 -96.15 5.72 -8.94 -0.25 0
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179822 76536303 1 ClSO4N5H18C20 ABC4D5E18F20 -8.86 7.32 -9.19 -1.51 0
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179823 76537426 1 NSO5F7C32H32 ABC5D7E32F32 -534.84 6.34 -9.44 -1.39 0
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179824 76537427 1 Cl2N4O5C33H36 A2B4C5D33E36 -143.63 2.69 -8.96 -0.45 0
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179825 76537428 1 Cl3N4O5C33H37 A3B4C5D33E37 -136.62 4.58 -8.96 -0.26 0
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179826 76538148 1 PN2O6C24H39 AB2C6D24E39 -341.38 5.04 -9.57 0.05 0
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179827 76538164 1 O5C19H26 A5B19C26 -221.47 6.57 -10.1 -0.38 0
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179828 76538366 1 O3N4C16H18 A3B4C16D18 -32.0 4.4 -8.91 -1.17 0
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179829 76538537 1 SO5N6C23H34 AB5C6D23E34 -164.79 6.58 -8.64 -0.46 0
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179830 76538591 1 SO4N6C25H38 AB4C6D25E38 -136.16 6.77 -8.55 -0.36 0
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179831 76538611 1 F3N4O4C29H29 A3B4C4D29E29 -171.3 6.87 -9.32 -0.65 0
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179832 76538842 1 FN4O4C25H37 AB4C4D25E37 -228.01 1.4 -9.08 -0.75 0
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179833 76539364 1 NC5H6 AB5C6 54.53 3.69 0.0 0.0 0
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179834 76539583 1 OF2N2H8C10 AB2C2D8E10 -80.6 6.09 -9.25 -0.95 0