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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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125780 50937877 1 SN3O3C22H33 AB3C3D22E33 -129.21 3.69 -8.19 0.19 0
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125781 50937878 1 BrFNO3C16H17 ABCD3E16F17 -160.56 4.2 -9.2 -0.66 1
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125782 50937966 1 ClFON3C22H26 ABCD3E22F26 -56.71 2.66 0.0 0.0 2
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125783 50938006 1 ON3C19H37 AB3C19D37 -71.3 3.61 -8.6 1.06 0
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125784 50938276 1 NSO4C13H15 ABC4D13E15 -167.19 3.18 -8.95 -0.67 0
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125785 50938395 1 N2O5C24H30 A2B5C24D30 -152.08 5.8 -8.74 -0.76 0
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125786 50938497 1 ClN2O3C20H23 AB2C3D20E23 -84.79 3.16 -8.94 -0.12 -1
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125787 50938498 1 SN2O3H11C14 AB2C3D11E14 -4.62 4.71 0.0 0.0 0
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125789 50938728 1 Cl2N5O6C12H15 A2B5C6D12E15 -230.69 6.87 -8.95 -0.68 0
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125790 50938742 1 ClN2O8C35H43 AB2C8D35E43 -301.27 6.83 -8.86 -0.2 0
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125791 50938743 1 Cl2N2O8C35H44 A2B2C8D35E44 -345.77 6.6 -9.01 -0.29 0
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125792 50938744 1 ClN5C17H18 AB5C17D18 49.66 5.11 -9.18 -1.08 0
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125793 50938745 1 NO3C18H23 AB3C18D23 -97.76 4.34 -8.13 0.3 0
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125794 50938746 1 NO4C18H23 AB4C18D23 -125.66 2.37 -8.28 0.13 0
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125795 50938747 1 FCl2O2N4H23C25 AB2C2D4E23F25 -74.67 6.88 -8.32 -1.09 0
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125796 50938819 1 O7N8C32H48 A7B8C32D48 -283.13 3.49 -9.13 -0.26 0
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125798 50938988 1 FCl2O3N4H25C27 AB2C3D4E25F27 -125.04 6.56 -8.39 -1.12 0
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125799 50939095 1 O3N6H26C30 A3B6C26D30 45.27 9.47 -8.53 -0.87 0
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125800 50939119 1 Cl2N2O2H10C13 A2B2C2D10E13 -16.18 7.44 -9.1 -1.33 0
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125801 50939120 1 ClN2O2F3H10C14 AB2C2D3E10F14 -166.72 7.51 -9.1 -1.44 0
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125803 50939155 1 F3O6C22H25 A3B6C22D25 -386.74 3.8 -9.16 -0.16 0
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125804 50939224 1 FON5H14C18 ABC5D14E18 28.16 5.85 -9.0 -0.81 0
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125805 50939352 1 ClFO4N5C12H13 ABC4D5E12F13 -146.64 3.06 -9.61 -0.67 0
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125806 50939428 1 NO4H19C20 AB4C19D20 -99.52 3.53 -8.66 -0.45 0
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125807 50939515 1 SN5F6O8C35H41 AB5C6D8E35F41 -573.72 5.07 -9.03 -1.16 0
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125808 50939530 1 O5C37H50 A5B37C50 -248.16 8.08 -9.59 -0.1 0
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125809 50939531 1 NO4C33H51 AB4C33D51 -246.18 12.18 -9.52 0.13 0
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125811 50939635 1 ClOF2N5C18H18 ABC2D5E18F18 -57.28 1.88 -9.07 -0.42 0
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125812 50939636 1 ClO2F3N3H11C20 AB2C3D3E11F20 -129.16 6.28 -9.62 -1.7 1
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125813 50939637 1 ClO2F3N3H12C20 AB2C3D3E12F20 -121.51 6.4 0.0 0.0 0
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125814 50939975 1 N7O7C28H39 A7B7C28D39 -280.78 8.59 -8.54 -0.05 0
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125815 50939976 1 N11O12C41H73 A11B12C41D73 -586.9 12.03 -9.65 -1.1 0
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125816 50940255 1 ClO5N6H23C26 AB5C6D23E26 -42.98 11.24 -9.44 -0.88 0
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125817 50940451 1 SN3O3C23H25 AB3C3D23E25 -48.7 7.48 -8.77 -0.82 0
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125818 50940492 1 ON6H14C17 AB6C14D17 59.77 6.62 -8.27 -1.24 0
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125819 50940559 1 O5C26H42 A5B26C42 -252.31 4.31 -8.65 -0.02 0
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125820 50940560 1 SO2N4C16H20 AB2C4D16E20 -13.02 3.01 -9.64 -1.54 0
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125821 50940561 1 SO2N4C16H20 AB2C4D16E20 -12.56 2.64 -9.58 -1.62 0
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125822 50940641 1 SP2Na5C6H9O15 AB2C5D6E9F15 -1034.28 17.94 -8.73 0.48 0
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125823 50940642 1 SP2C6H14O15 AB2C6D14E15 -782.27 6.7 -11.08 -1.65 0
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125824 50940643 1 BrNO3C18H20 ABC3D18E20 -111.23 3.73 -9.01 -0.64 0
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125825 50940831 1 NOC14H19 ABC14D19 -34.86 3.29 -8.72 0.04 0
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125826 50940832 1 ON2C16H24 AB2C16D24 -45.05 1.59 -8.58 0.21 0
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125827 50940891 1 O2N3H17C18 A2B3C17D18 3.49 2.21 -8.69 -0.52 0
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125828 50940892 1 S2N3H17C18 A2B3C17D18 84.57 1.36 -8.38 -0.78 0
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125829 50940893 1 O2N3H17C20 A2B3C17D20 4.68 2.72 -9.58 -1.26 0
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125830 50940894 1 F2N3H11C16 A2B3C11D16 -9.49 4.14 -9.41 -0.96 0
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125831 50940895 1 Cl2N3H11C16 A2B3C11D16 66.98 4.36 -9.36 -1.06 0
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125832 50940896 1 O2N3H17C18 A2B3C17D18 10.8 4.09 -8.7 -0.35 0
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125833 50940995 2 OC8H10 AB8C10 -44.17 1.37 -9.54 0.26 0
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125834 50940996 1 FOC14H17 ABC14D17 -70.65 1.77 -9.51 -0.24 0
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125835 50941004 1 ON3H23C24 AB3C23D24 61.66 3.81 -9.38 -1.25 0
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125836 50941015 3 NC5H7 AB5C7 31.06 3.96 -8.73 -0.07 0
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125837 50941055 1 ClN3C23H36 AB3C23D36 -13.68 3.5 -8.9 -0.43 0
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125838 50941056 1 N3C19H21 A3B19C21 64.09 4.07 -8.54 -0.34 0
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125839 50941057 1 N3C20H23 A3B20C23 59.47 4.65 -8.54 -0.36 0
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125841 50941148 1 SSiO3C14H22 ABC3D14E22 -156.92 2.96 -8.77 -0.5 0
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125842 50941221 1 ClO3H17C18 AB3C17D18 -79.73 3.66 -9.39 -0.5 0
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125843 50941224 1 O3C8H14 A3B8C14 -143.28 0.59 -9.78 0.24 0
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125844 50941293 1 ClN2O2H11C15 AB2C2D11E15 -22.94 1.86 -9.57 -1.56 0
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125845 50941294 1 ClN2O2H9C14 AB2C2D9E14 -10.47 2.53 -9.68 -1.65 0
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125846 50941312 1 ON2C10H16 AB2C10D16 13.19 2.86 -9.03 0.66 0
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125847 50941318 1 ClNOSC10H22 ABCDE10F22 -82.83 3.07 -8.36 0.73 0
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125848 50941319 1 ClNOSC11H24 ABCDE11F24 -88.83 3.18 -8.4 0.74 0
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125849 50941320 1 ClNOSC12H26 ABCDE12F26 -91.17 2.83 -8.32 0.69 0
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125850 50941501 1 NS2F3O3H6C16 AB2C3D3E6F16 -204.09 4.52 -9.8 -2.36 0
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125851 50941502 1 NS4O6H15C19 AB4C6D15E19 -167.71 2.23 -8.41 -1.81 0
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125852 50941503 1 NF3S4O6H10C18 AB3C4D6E10F18 -312.52 5.64 -8.54 -2.06 0
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125853 50941559 1 O4H14C19 A4B14C19 -58.58 3.89 -8.63 -1.04 0
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125854 50941560 2 O2H6C9 A2B6C9 -52.94 8.12 -8.9 -1.2 0
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125855 50941561 1 ON4C14H14 AB4C14D14 58.13 2.47 -8.48 -0.49 0
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125856 50941562 1 N5O5H23C30 A5B5C23D30 -39.3 4.06 -8.78 -1.12 0
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125857 50941563 1 SN2O3H12C15 AB2C3D12E15 -40.15 6.24 -8.57 -0.84 0
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125858 50941572 1 SN2O6C31H44 AB2C6D31E44 -260.52 7.3 -9.09 -0.64 0
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125859 50941573 1 SN2O8C29H40 AB2C8D29E40 -322.14 7.0 -9.02 -0.41 0