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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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441782 135244502 1 SCl2F2N2O4H16C18 AB2C2D2E4F16G18 -207.1 4.65 -8.89 -1.15 0
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441783 135244512 1 O5C33H44 A5B33C44 -162.76 6.2 -8.98 -1.75 0
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441784 135244531 1 Cl2N2O2C19H22 A2B2C2D19E22 -35.28 3.61 -9.02 -0.88 0
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441785 135244569 1 ClFO2N5C20H23 ABC2D5E20F23 -82.33 3.49 -9.18 -1.13 0
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441786 135244574 1 FON7C21H26 ABC7D21E26 -27.18 6.59 -8.68 -0.65 0
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441787 135244650 1 ClFO2N5H11C14 ABC2D5E11F14 -46.68 5.2 -9.05 -1.05 0
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441788 135244655 1 ClO3C6H9 AB3C6D9 -72.54 3.1 -10.71 0.31 0
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441789 135244675 1 ON8C22H24 AB8C22D24 64.09 2.54 -8.98 -0.76 0
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441790 135244711 1 NO3C17H27 AB3C17D27 -134.06 3.59 -8.1 0.15 0
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441791 135244737 2 NC28H28 AB28C28 172.45 1.89 -7.63 -0.34 0
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441792 135244762 1 N2C63H70 A2B63C70 135.05 1.99 -7.68 -0.36 0
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441793 135244778 1 N2C61H64 A2B61C64 182.0 1.78 -7.61 -0.31 0
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441794 135244840 2 NH20C23 AB20C23 194.65 0.95 -7.75 -0.54 0
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441795 135244857 1 Cl2N3O5C23H27 A2B3C5D23E27 -213.65 3.45 -8.76 -0.33 1
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441796 135244860 1 PSCl2N2O4C24H24 ABC2D2E4F24G24 -120.19 7.04 0.0 0.0 0
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441797 135244867 2 ClNC9H10 ABC9D10 14.25 1.5 -8.29 -0.36 0
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441798 135244868 1 SCl2N3O4C22H25 AB2C3D4E22F25 -117.25 6.25 -8.93 -0.61 0
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441799 135244903 1 INC33H50 ABC33D50 54.59 2.51 -8.82 -0.55 0
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441800 135244922 1 Cl2N4O6C27H28 A2B4C6D27E28 -207.37 5.47 -8.44 -1.44 0
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441801 135244936 1 S2F4N8O8H42C43 A2B4C8D8E42F43 -304.41 12.38 -8.89 -0.93 0
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441802 135245001 1 N2O3C18H22 A2B3C18D22 -23.26 7.9 -9.12 -1.24 0
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441803 135245003 1 S2Cl3O3N4C39H45 A2B3C3D4E39F45 -44.26 5.11 -8.32 -0.49 0
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441804 135245031 1 SF2N4O15C39H58 AB2C4D15E39F58 -681.68 4.07 -8.99 -1.1 0
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441805 135245044 1 N4O4H20C25 A4B4C20D25 -11.9 6.14 -9.29 -0.96 0
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441806 135245052 1 ClO4C12H13 AB4C12D13 -159.18 5.86 -8.7 -0.52 0