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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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225789 87226113 1 NO4C26H33 AB4C26D33 -157.44 6.46 -8.49 -0.26 0
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225790 87226114 1 N3O5C31H45 A3B5C31D45 -171.5 3.14 -8.59 -0.37 0
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225791 87226116 1 ClOS2H9C12 ABC2D9E12 10.07 3.1 -8.86 -1.36 0
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225792 87226122 1 ClNC4H10 ABC4D10 -25.08 4.32 -9.3 0.71 0
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225793 87226125 1 ClOSN3H20C22 ABCD3E20F22 46.39 2.58 -8.64 -1.04 0
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225794 87226127 2 NO3C13H16 AB3C13D16 -141.69 5.58 -8.66 -0.45 0
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225795 87226128 1 ClNOC11H14 ABCD11E14 -20.3 2.98 -8.59 0.02 0
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225796 87226151 1 ClOSC2N4H5 ABCD2E4F5 0.69 6.21 -9.09 -1.78 0
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225797 87226157 1 SCl2N3O6H23C25 AB2C3D6E23F25 -189.33 2.59 -8.77 -2.16 0
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225798 87226190 1 ClOSN3H22C23 ABCD3E22F23 40.81 0.99 -8.7 -0.81 0
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225799 87226194 1 N2O3C8H10 A2B3C8D10 -78.85 3.23 -9.56 -0.85 0
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225800 87226232 1 SO2N3H25C28 AB2C3D25E28 48.95 1.04 -8.36 -0.82 0
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225801 87226235 1 INOsC6Cl6H8 ABCD6E6F8 -32.09 3.3 -8.72 -3.41 0
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225802 87226251 1 NO2C13H13 AB2C13D13 -31.94 6.65 -8.45 -0.33 0
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225803 87226296 1 SC5O5H8 AB5C5D8 -194.69 5.15 -11.22 -0.41 0
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225804 87226313 1 NOF2C27H47 ABC2D27E47 -209.55 2.9 -9.63 0.95 0
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225805 87226315 1 SeN2H4C5 AB2C4D5 66.98 2.04 -8.74 -0.22 0
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225806 87226344 1 O3C18H32 A3B18C32 -169.81 7.35 -10.02 -0.86 0
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225807 87226359 1 NSO2C13H17 ABC2D13E17 -68.32 4.48 -8.73 -0.15 0
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225808 87226364 1 SSiN6O9C47H58 ABC6D9E47F58 -331.52 5.15 -8.96 -1.35 0
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225809 87226395 1 SO3C9H18 AB3C9D18 -150.56 3.69 -10.25 -0.02 0
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225810 87226398 1 N2O3C13H26 A2B3C13D26 -158.0 7.35 -9.45 0.02 0
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225811 87226400 2 PH12C13 AB12C13 81.48 2.78 -8.52 0.01 0
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225812 87226401 1 SN4O6H32C37 AB4C6D32E37 -60.97 9.99 -8.97 -1.21 0
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225813 87226402 1 F3N3O5C24H28 A3B3C5D24E28 -327.86 7.77 -9.54 -0.88 0
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225814 87226403 1 BrNH16C19 ABC16D19 84.12 6.11 -7.39 -0.94 0
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225815 87226404 1 SSiN6O8C61H68 ABC6D8E61F68 -231.27 10.62 -8.89 -1.22 0
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225816 87226424 1 NaO2N3C7H14 AB2C3D7E14 -42.93 9.29 -7.2 0.47 0
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225817 87226434 2 OC13H22 AB13C22 -156.64 4.37 -9.68 0.59 0
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225818 87226435 1 ClH17C28 AB17C28 188.49 1.19 -7.74 -1.54 0
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225819 87226442 1 FN4H9C11 AB4C9D11 42.15 2.21 -8.74 -1.01 0
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225820 87226449 1 NOC28H47 ABC28D47 -61.53 1.82 -9.57 1.01 0
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225821 87226456 1 O2C11H20 A2B11C20 -123.31 3.56 -10.13 0.24 0
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225822 87226457 1 O2N3H11C13 A2B3C11D13 42.65 4.11 -8.46 -1.96 0
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225823 87226458 1 ON2C27H50 AB2C27D50 -100.02 1.64 -9.28 1.0 0
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225824 87226482 1 NO2C12H13 AB2C12D13 -52.76 5.73 -9.16 0.24 0
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225825 87226485 1 NSC8H9 ABC8D9 46.86 4.28 -9.14 -0.15 0
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225826 87226486 1 NO6C10H11 AB6C10D11 -201.83 3.96 -10.6 -0.95 0
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225827 87226487 2 NOC13H24 ABC13D24 -112.46 2.09 -9.53 0.91 0
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225828 87226489 1 BrNC13H18 ABC13D18 7.96 4.34 -9.72 -0.47 0
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225829 87226490 1 N5O8C21H25 A5B8C21D25 -266.81 7.16 -9.01 -1.29 0
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225830 87226496 1 O2N7C17H21 A2B7C17D21 57.19 11.71 -8.29 -1.89 0
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225831 87226500 1 FBr2O3H13C16 AB2C3D13E16 -104.4 3.73 -8.88 -0.98 0
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225832 87226503 1 SO4N5C20H25 AB4C5D20E25 -48.6 9.04 -8.2 -1.79 0
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225833 87226504 1 OF2N4C12H14 AB2C4D12E14 -33.5 7.2 -9.53 -0.37 0
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225834 87226505 1 FO2N5C21H26 AB2C5D21E26 -17.95 5.93 -8.18 -1.7 0
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225835 87226506 1 SSiN6O8C53H56 ABC6D8E53F56 -213.88 10.71 -8.47 -1.26 0
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225836 87226507 1 O2N5C20H25 A2B5C20D25 22.23 3.41 -8.1 -1.55 0
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225837 87226508 1 SN6O8C51H52 AB6C8D51E52 -200.56 6.01 -8.87 -1.38 0
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225838 87226560 1 NO3C7H15 AB3C7D15 -163.92 1.45 -10.56 0.21 0
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225839 87235637 1 O2N3H9C10 A2B3C9D10 23.23 1.71 -8.96 -1.05 0
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225840 87235638 1 NiPO3C21H21 ABC3D21E21 -128.62 2.15 -8.13 -0.49 1
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225841 87235640 1 F3N3O5H21C30 A3B3C5D21E30 -148.64 3.25 0.0 0.0 0
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225842 87235641 1 N3O4F6H17C29 A3B4C6D17E29 -345.81 7.37 -8.77 -1.43 0
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225843 87235647 1 SN3O6C21H23 AB3C6D21E23 -125.09 5.9 -8.81 -1.01 0
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225844 87235648 1 PN2O3C5H13 AB2C3D5E13 -177.52 4.71 -9.65 -0.68 0
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225845 87235659 1 N3O4C20H29 A3B4C20D29 -138.33 3.1 -8.72 -0.45 0
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225846 87235660 1 N3O5C23H35 A3B5C23D35 -197.03 3.14 -8.63 -0.32 0
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225847 87235682 1 SCl2N2O4C20H20 AB2C2D4E20F20 -116.69 4.73 -8.48 -1.16 0
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225848 87235685 1 NPO3C37H74 ABC3D37E74 -230.27 14.39 -6.3 -0.62 1
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225849 87235686 1 NPO3C37H75 ABC3D37E75 -245.61 4.72 0.0 0.0 1
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225850 87235690 1 NPO3C39H79 ABC3D39E79 -252.78 3.07 0.0 0.0 0
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225851 87235691 1 NO9C16H19 AB9C16D19 -197.44 3.35 -9.46 -1.38 0
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225852 87235750 1 S3N5O6C20H23 A3B5C6D20E23 -161.23 3.19 -8.85 -1.14 0
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225853 87235752 1 NO5C22H27 AB5C22D27 -172.04 5.91 -9.58 -0.65 0
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225854 87235756 1 NO2C11H23 AB2C11D23 -127.54 2.82 -9.43 1.15 0
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225855 87235758 1 NPO8C26H32 ABC8D26E32 -291.27 5.67 -9.2 -0.54 0
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225856 87235763 1 ON2C25H42 AB2C25D42 -137.49 5.42 -9.36 1.44 0
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225857 87235769 1 NSO5C22H27 ABC5D22E27 -162.38 2.53 -9.25 -0.07 0
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225858 87235771 1 NO2C12H25 AB2C12D25 -136.07 2.72 -9.22 1.45 0
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225859 87235775 1 S2O5N6C20H20 A2B5C6D20E20 -128.55 4.87 -9.09 -1.63 0
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225860 87235776 1 PSN6O10C48H57 ABC6D10E48F57 -297.11 12.14 -8.54 -0.69 0
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225861 87235779 1 O2C31H48 A2B31C48 -149.07 1.92 -8.69 0.22 0
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225862 87235782 6 OC3H5 AB3C5 -246.35 5.79 -10.32 0.34 0
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225863 87235785 1 SN5O6C22H23 AB5C6D22E23 -162.29 4.81 -8.65 -1.36 0