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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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318762 126653072 1 ClSN2O4H13C17 ABC2D4E13F17 -46.74 4.35 -8.97 -0.93 0
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318763 126653073 1 F2O2N6H18C21 A2B2C6D18E21 11.16 7.02 -9.26 -1.18 0
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318765 126653075 2 O2C5H11 A2B5C11 -201.84 2.24 -10.11 1.57 0
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318767 126653078 1 NS2C14H17 AB2C14D17 34.09 4.91 -7.89 -0.98 0
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318768 126653081 1 SC9H20 AB9C20 -46.61 2.24 -8.68 0.81 0
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318769 126653083 1 N2F3O4C28H33 A2B3C4D28E33 -312.64 4.46 -8.36 -0.4 0
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318770 126653084 1 N2F3O4C28H33 A2B3C4D28E33 -231.95 7.08 -8.38 -0.43 0
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318772 126653104 1 F3C14H27 A3B14C27 -230.49 3.61 -10.91 1.74 0
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318773 126653105 1 ON3C7H15 AB3C7D15 -45.13 3.08 -8.46 0.64 1
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318774 126653107 1 ON3C4H8 AB3C4D8 23.08 1.72 0.0 0.0 0
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318775 126653108 1 F3N3O4H14C18 A3B3C4D14E18 -212.14 2.16 -9.37 -1.34 0
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318776 126653109 1 N3O3C7H11 A3B3C7D11 -66.78 2.55 -10.05 0.16 0
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318778 126653204 1 N2C28H55 A2B28C55 -89.02 1.66 0.0 0.0 0
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318779 126653225 1 NO2C33H43 AB2C33D43 -60.94 3.15 -8.61 0.24 0
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318782 126653229 1 NO2C30H37 AB2C30D37 -47.42 1.6 -8.98 0.1 0
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318784 126653234 1 NOC29H35 ABC29D35 -0.47 1.33 -8.7 0.19 0
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318785 126653235 1 NOC26H37 ABC26D37 -48.57 2.78 -8.74 0.36 0
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318787 126653240 1 OCl2N6C17H22 AB2C6D17E22 11.62 5.28 -8.71 -0.67 0
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318788 126653245 1 N2O2F3C9H17 A2B2C3D9E17 -247.54 1.58 -9.04 0.89 0
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318789 126653253 1 N2O7C18H34 A2B7C18D34 -323.72 4.65 -9.37 0.38 0
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318793 126653278 1 NF2O2H7C9 AB2C2D7E9 -73.75 8.17 -10.28 -1.47 0
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318794 126653279 1 NF2O2H7C9 AB2C2D7E9 -71.71 6.72 -10.1 -1.71 0
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318795 126653280 1 FN2O2H7C8 AB2C2D7E8 -12.56 8.43 -10.13 -1.74 0
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318796 126653282 1 FNO4C13H16 ABC4D13E16 -144.79 3.55 -9.7 -0.55 0
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318797 126653288 1 NF2O4C13H15 AB2C4D13E15 -190.51 2.0 -9.82 -0.67 0
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318798 126653307 1 F2N2O4C11H12 A2B2C4D11E12 -164.57 3.91 -10.68 -1.17 0
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318799 126653326 1 NO2C13H15 AB2C13D15 -70.46 3.25 -8.8 0.0 0
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318800 126653327 1 FNO2C14H16 ABC2D14E16 -126.68 7.85 -9.02 -0.19 0
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318801 126653328 1 FNO2C13H14 ABC2D13E14 -117.79 3.7 -9.08 -0.26 0
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318803 126653335 1 NOC12H15 ABC12D15 -40.18 4.78 -9.28 0.2 0
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318804 126653337 1 NOF2C12H13 ABC2D12E13 -134.01 5.85 -9.67 -0.47 0
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318805 126653338 1 NOC13H17 ABC13D17 -47.18 4.87 -9.23 0.22 0
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318806 126653346 1 OF2N2C13H16 AB2C2D13E16 -126.18 7.87 -8.75 -0.2 0
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318807 126653348 1 F2N2O2C13H14 A2B2C2D13E14 -175.6 6.36 -9.45 -0.69 0
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318808 126653363 1 FON2C10H11 ABC2D10E11 -69.46 6.54 -9.69 -0.61 0
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318810 126653404 1 FNO2C14H18 ABC2D14E18 -134.92 5.65 -9.33 -0.28 0
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318812 126653420 1 ON2C13H18 AB2C13D18 11.61 2.79 -9.06 0.34 0
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318813 126653430 1 NF2O4C14H17 AB2C4D14E17 -199.58 4.86 -10.08 -0.6 0
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318814 126653431 1 NF2O2H15C17 AB2C2D15E17 -132.85 6.28 -9.52 -0.46 0
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318815 126653434 1 NF2O3C14H15 AB2C3D14E15 -219.54 6.42 -9.83 -0.62 0
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318817 126653456 1 OF3N6H12C17 AB3C6D12E17 -18.29 6.98 0.0 0.0 0
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318818 126653458 1 SO2F5N6C27H27 AB2C5D6E27F27 -259.82 2.94 -8.82 -0.91 0
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318820 126653475 1 SN3O3C20H21 AB3C3D20E21 -64.52 7.39 -8.94 -0.59 0
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318821 126653487 1 N2O6C19H34 A2B6C19D34 -223.5 6.43 -8.39 0.39 0
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318822 126653495 1 ClO3N8C23H33 AB3C8D23E33 -54.62 3.62 -8.88 -0.34 0
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318823 126653496 1 O5N8C30H44 A5B8C30D44 -172.02 2.78 -8.76 -0.58 0
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318824 126653505 1 FN4H19C20 AB4C19D20 75.99 3.57 -8.19 -0.79 0
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318826 126653512 2 ClN2C10H10 AB2C10D10 78.82 4.79 -8.1 -0.28 0
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318827 126653513 2 FN2C10H10 AB2C10D10 7.88 4.28 -8.1 -0.42 0
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318829 126653515 1 ON3C21H21 AB3C21D21 62.0 3.85 -7.91 -0.71 0
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318831 126653517 1 ClN2H19C20 AB2C19D20 49.47 1.34 -7.94 -0.14 0
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318832 126653520 2 N2C11H12 A2B11C12 103.28 2.05 -8.26 -0.81 0
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318833 126653521 2 ON2C11H12 AB2C11D12 43.83 3.27 -8.28 -0.94 0
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318834 126653522 1 O2N3C22H23 A2B3C22D23 21.92 2.16 -8.16 -0.93 0
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318835 126653523 2 FNH9C10 ABC9D10 -32.32 1.81 -8.01 -0.21 0
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318836 126653524 1 F2N3H17C20 A2B3C17D20 7.47 3.51 -8.36 -1.12 0
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318837 126653525 1 N2O3C15H20 A2B3C15D20 -103.1 5.79 -9.63 -1.07 0
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318838 126653526 1 ON2C12H14 AB2C12D14 21.5 1.53 -8.32 0.33 0
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318839 126653527 2 NO3C9H14 AB3C9D14 -266.89 4.12 -9.9 0.38 0
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318841 126653529 1 N2O4C13H20 A2B4C13D20 -152.44 3.87 -9.52 0.43 0
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318846 126653534 1 FC17H21 AB17C21 31.8 1.73 -8.8 0.12 0
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318847 126653535 1 NPO2C21H34 ABC2D21E34 -92.16 6.45 -9.47 0.93 0
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318850 126653538 2 SC4H9 AB4C9 -33.12 3.47 -8.89 0.29 0
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318851 126653539 1 P2O8C49H50 A2B8C49D50 -318.27 3.12 -8.18 -0.24 0
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318853 126653541 1 N2F3O3C18H19 A2B3C3D18E19 -250.67 5.47 -8.8 -0.54 0
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318856 126653544 1 FN2O4H15C16 AB2C4D15E16 -149.83 4.69 -9.22 -1.12 0
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318857 126653546 1 SO2C25H34 AB2C25D34 -65.49 4.71 -9.12 -0.58 0
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318858 126653553 1 NOC12H15 ABC12D15 -10.4 2.58 -9.33 0.19 0
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318859 126653560 1 OF3N4C18H21 AB3C4D18E21 -154.27 6.11 -8.84 -1.1 0
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318860 126653577 2 NS2C21H30 AB2C21D30 -15.79 0.96 -8.35 -1.32 0
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318862 126653581 1 O2N3S7C64H81 A2B3C7D64E81 -41.44 5.71 -8.19 -1.83 0
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318866 126653589 1 NSBr2O3C17H23 ABC2D3E17F23 -98.34 1.52 -9.71 -1.55 0
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318869 126653597 1 N2S2C15H18 A2B2C15D18 23.73 0.39 -8.49 -0.91 0
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318871 126653602 2 NSH20C29 ABC20D29 259.94 0.65 -7.97 -1.01 0
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318872 126653603 2 N2H23C35 A2B23C35 328.39 1.52 -7.47 -0.55 0
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318873 126653604 2 OH15C23 AB15C23 132.05 0.11 -8.32 -1.1 0
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318876 126653607 2 NH20C29 AB20C29 255.12 0.2 -7.64 -0.69 0
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318877 126653608 2 SN2H15C22 AB2C15D22 238.54 2.21 -8.07 -1.25 0
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318878 126653609 2 NOH20C29 ABC20D29 197.72 0.28 -8.04 -0.96 0
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318879 126653611 2 NOH22C33 ABC22D33 232.08 0.75 -7.89 -0.9 0
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318882 126653614 2 NSH22C33 ABC22D33 294.68 1.09 -8.07 -0.88 0
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318883 126653616 2 ON2H23C35 AB2C23D35 268.39 1.87 -7.7 -0.85 0
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318884 126653617 2 NO2H22C35 AB2C22D35 193.07 1.69 -8.03 -1.04 0
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318885 126653618 2 ON2H15C22 AB2C15D22 177.39 1.55 -8.05 -1.14 0
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318886 126653620 2 NSH16C23 ABC16D23 212.52 0.57 -8.03 -0.93 0
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318888 126653623 2 OH12C14 AB12C14 70.2 1.27 -8.3 -0.77 0
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318889 126653626 1 N2C19H26 A2B19C26 44.34 0.13 -8.05 0.04 0
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318890 126653627 1 N3O4C14H19 A3B4C14D19 -156.91 10.91 -9.02 -1.04 0
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318891 126653628 1 N3O4C19H25 A3B4C19D25 -119.41 10.57 -9.03 -1.1 0
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318892 126653633 4 NOC11H17 ABC11D17 -240.3 2.61 -7.89 0.28 0
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318893 126653635 2 NOC17H17 ABC17D17 14.3 1.54 -8.06 -0.4 0
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318894 126653636 4 NOC9H13 ABC9D13 -208.3 2.65 -7.88 0.19 0
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318895 126653638 1 N7O14C58H99 A7B14C58D99 -708.93 4.46 -9.05 0.16 0
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318896 126653641 1 SN3O12C33H57 AB3C12D33E57 -598.1 8.49 -9.24 -0.44 0
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318898 126653650 1 SF3O3N4C20H21 AB3C3D4E20F21 -188.72 7.11 -8.68 -1.64 0
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318900 126653671 1 ClSO2F3N4C20H20 ABC2D3E4F20G20 -170.88 5.27 -9.24 -1.69 0
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318903 126653679 1 ON2C10H10 AB2C10D10 17.34 2.41 -9.11 -0.42 0
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318905 126653694 1 SO2N3C21H25 AB2C3D21E25 -16.94 5.07 -8.68 -0.32 0
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318906 126653697 1 SO2N3C17H19 AB2C3D17E19 -15.69 2.9 -8.94 -0.36 0
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318907 126653698 1 SO2N3C17H19 AB2C3D17E19 -19.33 5.79 -8.65 -0.38 0