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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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323713 126675804 1 SN4O5C25H26 AB4C5D25E26 -91.27 5.19 -9.9 -1.62 0
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323714 126675806 1 SN9O12C19H27 AB9C12D19E27 -323.53 6.45 -9.97 -0.6 0
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323715 126675808 1 O7N9C12H19 A7B9C12D19 -92.18 5.03 -10.16 -0.6 0
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323716 126675810 2 NSO2C11H12 ABC2D11E12 -115.33 5.36 -9.42 -1.56 0
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323717 126675813 1 N9O10C18H25 A9B10C18D25 -232.36 3.47 -9.83 -0.57 0
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323718 126675816 3 N3O3C6H7 A3B3C6D7 -151.13 2.84 -9.87 -1.28 0
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323720 126675819 1 FON8C21H29 ABC8D21E29 -1.87 2.83 -8.21 0.0 0
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323723 126675823 1 BrFNO2C12H15 ABCD2E12F15 -130.94 1.83 -9.75 -1.58 0
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323724 126675826 1 ClNOH16C17 ABCD16E17 -15.39 3.72 -9.38 -0.2 0
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323725 126675827 2 N2C6H11 A2B6C11 44.41 3.49 -8.15 0.06 0
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323726 126675845 1 NO2C7H15 AB2C7D15 -108.52 3.45 -9.24 1.88 0
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323727 126675846 4 N2C5H7 A2B5C7 81.79 4.03 -8.13 0.16 0
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323728 126675847 1 NO2C39H53 AB2C39D53 -100.9 2.5 -7.76 -0.22 0
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323729 126675852 1 N3O8C13H27 A3B8C13D27 -365.2 6.6 -9.71 0.65 0
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323730 126675854 1 N12O20C51H66 A12B20C51D66 -573.92 14.78 -8.22 -0.85 0
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323731 126675858 1 N9C19H21 A9B19C21 144.39 3.18 -8.47 -0.62 0
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323733 126675872 1 FON8C20H23 ABC8D20E23 59.08 4.43 -8.64 -0.94 0
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323734 126675891 1 N3O7C16H31 A3B7C16D31 -297.47 3.72 -9.21 0.96 -1
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323735 126675909 1 BrIP2S2O4C5H5 ABC2D2E4F5G5 -178.03 5.58 0.0 0.0 0
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323736 126675917 1 SN3O5C14H21 AB3C5D14E21 -189.5 5.81 -8.45 -0.3 0
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323737 126675935 2 NOC11H12 ABC11D12 1.74 3.6 -7.95 -0.52 0
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323738 126675948 1 F2N2O3C25H28 A2B2C3D25E28 -163.21 2.36 -8.18 -0.23 0
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323739 126675950 1 SF2N3O4H29C30 AB2C3D4E29F30 -146.94 8.95 -8.57 -1.45 0
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323740 126675955 1 ClPN4O11C25H34 ABC4D11E25F34 -524.23 3.77 -9.56 -0.66 0
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323741 126675959 1 N2O4C17H18 A2B4C17D18 -136.49 3.73 -9.56 -1.12 0
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323742 126675960 1 O2N3C21H29 A2B3C21D29 -73.5 4.6 -8.99 -0.86 0
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323743 126675969 1 ClPN3O9C20H25 ABC3D9E20F25 -431.65 6.7 -9.62 -0.56 0
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323744 126675970 4 N2H4C5 A2B4C5 167.29 6.25 -8.49 -1.0 0
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323745 126675972 1 N2O2C17H20 A2B2C17D20 -66.96 6.54 -9.03 -0.73 0
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323746 126675973 1 N10H22C23 A10B22C23 130.95 4.42 -8.37 -0.71 0
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323747 126675985 1 ClO2N3C11H14 AB2C3D11E14 -70.67 3.37 -10.1 -0.98 0
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323748 126675989 1 ClFN2O3C26H44 ABC2D3E26F44 -256.28 5.05 -8.95 0.49 0
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323749 126675990 1 FN2O2C21H35 AB2C2D21E35 -177.02 5.36 -9.0 0.58 0
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323750 126675994 1 ClFN2O2C26H26 ABC2D2E26F26 -54.81 4.16 -8.85 -0.51 0
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323751 126675995 1 FN2O2C26H27 AB2C2D26E27 -44.85 1.5 -8.73 -0.47 0
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323752 126675996 1 NO2C17H17 AB2C17D17 -3.53 4.67 -8.01 -0.71 0
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323753 126675999 1 ClN3O3C24H42 AB3C3D24E42 -194.66 2.23 -8.88 0.53 0
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323754 126676000 1 F2N3O3C24H41 A2B3C3D24E41 -282.69 3.86 -9.13 0.91 0
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323755 126676013 1 ClPN3O8C21H27 ABC3D8E21F27 -395.95 6.58 -9.9 -0.56 0
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323756 126676019 1 O2N3C23H27 A2B3C23D27 3.36 6.94 -8.51 -0.29 0
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323757 126676020 1 ClPN3O9C23H29 ABC3D9E23F29 -420.26 6.3 -9.55 -0.59 0
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323758 126676034 1 NO3C14H15 AB3C14D15 -73.22 2.39 -9.64 -1.43 0
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323759 126676037 1 N3O5C24H29 A3B5C24D29 -198.7 5.35 -9.42 -1.18 0
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323760 126676039 1 PBr2N3O9C21H26 AB2C3D9E21F26 -427.8 4.95 -9.74 -1.37 0
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323761 126676045 1 PN3O10C25H38 AB3C10D25E38 -515.77 4.43 -9.55 -0.53 0
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323762 126676084 1 NO3C17H23 AB3C17D23 -83.71 2.18 -9.51 0.1 0
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323763 126676087 1 N3C6H11 A3B6C11 15.68 1.84 -8.11 0.95 0
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323764 126676090 1 O3N5C18H21 A3B5C18D21 5.34 2.04 -8.61 -0.88 0
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323765 126676106 1 N2O2C19H24 A2B2C19D24 -33.5 3.22 -8.04 -0.25 0
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323766 126676109 1 O2N3C19H23 A2B3C19D23 -45.5 6.61 -8.68 -0.9 0
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323767 126676113 1 N3O3C20H25 A3B3C20D25 -67.51 4.33 -8.99 -0.85 0
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323768 126676114 2 OC7H9 AB7C9 -68.47 4.1 -9.54 0.03 0
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323769 126676116 1 N3O4C19H21 A3B4C19D21 -104.16 3.42 -9.39 -1.18 0
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323770 126676117 1 FO2N3H20C22 AB2C3D20E22 -24.53 2.13 -8.91 -0.83 0
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323771 126676125 1 O2N5C20H25 A2B5C20D25 -9.45 6.59 -8.44 -0.29 0
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323772 126676130 1 N3O4C20H21 A3B4C20D21 -109.9 6.75 -9.6 -1.21 0
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323773 126676132 1 FN3O4C20H22 AB3C4D20E22 -158.58 2.57 -9.42 -1.26 0
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323774 126676134 1 FN3O4C20H20 AB3C4D20E20 -120.88 4.87 -9.51 -1.25 0
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323775 126676137 1 FN2O2C15H15 AB2C2D15E15 -98.46 4.51 -9.23 -0.94 0
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323776 126676140 1 F3N3O3C25H26 A3B3C3D25E26 -223.51 6.52 -8.73 -0.64 0
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323777 126676144 2 O2N3C11H14 A2B3C11D14 -37.22 5.04 -8.41 -0.94 0
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323778 126676152 2 NOC8H8 ABC8D8 -27.57 5.16 -9.11 -0.94 0
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323779 126676156 1 N3O5C20H23 A3B5C20D23 -155.98 2.57 -9.2 -1.22 0
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323780 126676163 1 NOC20H21 ABC20D21 14.27 4.17 -9.2 -0.22 0
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323781 126676164 2 NO2C9H10 AB2C9D10 -97.8 6.42 -8.62 -0.85 0
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323782 126676165 1 N3O3C20H23 A3B3C20D23 -85.63 3.42 -9.47 -1.0 0
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323783 126676169 1 N3O4C22H27 A3B4C22D27 -136.41 2.97 -9.5 -1.09 0
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323784 126676171 1 N3O4C20H23 A3B4C20D23 -110.75 3.28 -9.34 -1.15 0
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323785 126676174 1 N3O4C21H25 A3B4C21D25 -132.38 1.71 -9.56 -1.08 0
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323786 126676175 1 FNOC10H10 ABCD10E10 -4.56 1.87 -9.28 -1.42 0
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323787 126676180 2 NOC13H17 ABC13D17 -73.98 3.8 -8.85 -0.02 0
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323788 126676182 1 N2O2H12C15 A2B2C12D15 24.68 5.6 -8.59 -1.13 0
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323789 126676184 1 O2N7C35H45 A2B7C35D45 4.42 2.5 -8.25 -0.44 0
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323790 126676185 1 O2N5C24H33 A2B5C24D33 -5.42 3.44 -8.38 -0.43 0
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323791 126676187 1 NOC27H39 ABC27D39 -41.87 1.45 -8.59 0.12 0