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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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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
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323792 126676189 1 N3O4C21H25 A3B4C21D25 -132.07 3.04 -9.53 -1.05 0
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323793 126676191 2 ON2C8H8 AB2C8D8 -26.32 5.87 -9.04 -0.77 0
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323794 126676193 1 SF3O4N7H28C29 AB3C4D7E28F29 -179.23 2.05 -8.68 -1.07 0
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323795 126676194 1 BrN2O2C9H15 AB2C2D9E15 -75.84 2.17 -8.72 -0.75 0
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323796 126676197 1 N2O3C9H16 A2B3C9D16 -126.84 5.47 -8.99 -0.47 0
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323797 126676198 2 NOC5H8 ABC5D8 -73.02 0.94 -9.64 -0.17 0
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323798 126676201 1 FN2O4C20H23 AB2C4D20E23 -202.32 3.95 -9.56 -1.11 0
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323799 126676204 1 BrO2N4H13C16 AB2C4D13E16 1.49 5.23 -9.38 -1.5 0
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323800 126676205 1 O2N3C15H17 A2B3C15D17 -49.05 1.32 -8.95 -0.63 0
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323801 126676206 1 SO4F5N6H27C30 AB4C5D6E27F30 -285.23 4.35 -9.01 -1.21 0
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323802 126676209 1 FO2N6C36H41 AB2C6D36E41 -33.39 3.86 -8.29 -0.89 0
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323803 126676210 1 O3N5C33H43 A3B5C33D43 -83.09 1.77 -8.89 -0.52 0
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323804 126676212 1 BrNC13H20 ABC13D20 1.02 3.34 -8.67 -0.38 0
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323805 126676215 1 N3O4C18H19 A3B4C18D19 -113.82 2.01 -9.43 -1.19 0
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323806 126676217 1 N2O4H14C15 A2B4C14D15 -116.82 3.41 -9.49 -1.24 0
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323807 126676220 1 N3O3C20H23 A3B3C20D23 -79.88 2.92 -9.48 -1.02 0
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323808 126676225 1 ClN2O2C24H27 AB2C2D24E27 -61.09 5.81 -8.51 -1.38 0
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323809 126676228 1 FNO6C27H32 ABC6D27E32 -260.42 5.27 -9.3 -0.53 0
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323810 126676229 1 F3O3N5H10C16 A3B3C5D10E16 -102.19 3.08 -9.34 -1.86 0
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323811 126676230 1 NO5C21H31 AB5C21D31 -215.84 3.92 -8.44 -0.13 0
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323812 126676231 1 NO3C19H29 AB3C19D29 -142.52 5.38 -8.2 -0.13 0
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323813 126676242 2 FNO4C24H28 ABC4D24E28 -407.98 7.65 -8.35 -1.06 0
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323814 126676247 1 O2N4H12C13 A2B4C12D13 -31.55 5.86 -9.24 -0.92 0
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323815 126676252 1 N7C22H23 A7B22C23 170.26 3.43 -9.01 -0.87 0
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323816 126676253 1 ON5C19H25 AB5C19D25 9.86 0.9 -8.79 -0.57 0
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323817 126676258 1 FN2O3C24H29 AB2C3D24E29 -158.95 5.33 -8.1 -0.68 0
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323818 126676259 1 OF2N3H13C15 AB2C3D13E15 -78.71 2.06 -9.09 -0.76 0
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323819 126676260 1 NOC13H21 ABC13D21 -41.3 3.13 -8.88 0.45 0
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323820 126676261 1 O2N3F5H12C17 A2B3C5D12E17 -231.9 3.37 -9.5 -1.26 0
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323821 126676263 1 O2N3H17C19 A2B3C17D19 -2.71 1.36 -8.62 -0.53 0
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323822 126676264 1 N4C11H20 A4B11C20 46.89 4.05 -8.32 0.12 0
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323823 126676266 1 FN3O3H14C15 AB3C3D14E15 -133.75 2.93 -9.65 -1.16 0
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323824 126676269 1 ON8C17H22 AB8C17D22 57.61 3.14 -8.36 -0.44 0
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323825 126676270 2 NO2C11H14 AB2C11D14 -150.73 2.17 -9.18 -1.1 0
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323826 126676271 1 IO2N4C26H29 AB2C4D26E29 -10.25 1.82 -9.0 -0.94 0
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323827 126676272 1 ON3C14H15 AB3C14D15 -3.69 2.38 -8.82 -0.53 0
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323828 126676275 1 N2O3C17H20 A2B3C17D20 -93.95 7.6 -9.02 -0.73 0
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323829 126676276 1 N7H17C20 A7B17C20 174.25 2.39 -8.98 -0.82 0
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323830 126676277 2 N3C10H11 A3B10C11 93.1 3.43 -8.1 -0.41 0
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323831 126676279 1 N8H14C15 A8B14C15 162.15 5.51 -9.01 -0.89 0
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323832 126676282 1 F2N3O3H17C18 A2B3C3D17E18 -162.06 4.39 -9.69 -1.24 0
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323833 126676283 1 F2N3O3H17C18 A2B3C3D17E18 -162.08 4.47 -9.69 -1.24 0
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323834 126676284 1 N7H17C20 A7B17C20 174.78 5.67 -8.99 -0.84 0
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323835 126676292 1 NOC21H27 ABC21D27 -17.04 2.31 -8.81 0.47 0
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323836 126676294 1 OF3N5C11H12 AB3C5D11E12 -123.94 5.01 -8.42 -0.66 0
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323837 126676296 1 FN3O4C19H20 AB3C4D19E20 -162.85 3.62 -9.71 -1.3 1
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323838 126676297 1 F3O3N7H13C18 A3B3C7D13E18 -82.75 7.25 0.0 0.0 0
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323839 126676298 1 ON9C22H27 AB9C22D27 74.85 2.61 -8.26 -0.17 0
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323840 126676300 1 ON10C22H24 AB10C22D24 133.11 2.31 -8.4 -0.64 1
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323841 126676302 1 F3O3N7H11C17 A3B3C7D11E17 -87.75 7.02 0.0 0.0 0