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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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299726 117688881 2 OF2N3C10H11 AB2C3D10E11 -212.02 0.52 -8.94 -0.88 0
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299727 117688896 1 ON2C8H8 AB2C8D8 7.31 2.19 -10.29 -1.14 0
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299728 117688921 1 S2N3O3C17H21 A2B3C3D17E21 -78.36 7.12 -8.71 -0.98 0
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299729 117688923 1 S2O3N4C22H30 A2B3C4D22E30 -101.83 4.42 -8.9 -0.97 0
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299730 117688929 1 N2O2C9H16 A2B2C9D16 -83.35 6.35 -10.27 0.54 0
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299731 117688930 1 NO4C11H21 AB4C11D21 -199.69 2.9 -9.49 0.79 0
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299732 117688942 1 O2F3C7H11 A2B3C7D11 -262.83 4.89 -10.39 1.09 0
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299733 117688949 1 ON2C9H10 AB2C9D10 7.68 5.37 -9.61 -0.8 0
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299734 117688955 1 S2N3O3C17H21 A2B3C3D17E21 -69.98 4.18 -9.39 -1.3 0
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299735 117688994 1 OC11H14 AB11C14 -31.59 1.95 -8.97 0.35 0
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299736 117689008 2 O2C11H15 A2B11C15 -162.8 4.13 -9.27 -0.72 0
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299737 117689035 3 FNOC8H8 ABCD8E8 -198.64 4.07 -8.77 -0.29 0
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299738 117689039 2 N3O13C31H52 A3B13C31D52 -1223.58 19.59 -9.44 -0.03 0
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299739 117689055 1 NOC13H23 ABC13D23 -60.9 5.83 -9.16 0.46 0
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299740 117689060 1 SN2O2C17H28 AB2C2D17E28 -79.59 3.91 -8.51 -0.59 0
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299741 117689075 1 SN2O2C17H24 AB2C2D17E24 -60.77 6.55 -8.45 -1.11 0
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299742 117689097 2 SC3H6 AB3C6 4.2 3.36 -8.83 -1.09 0
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299743 117689125 1 NOH15C18 ABC15D18 38.33 0.73 -9.06 -0.32 0
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299744 117689128 1 BrO2N3H16C18 AB2C3D16E18 34.56 1.93 -9.06 -1.2 0
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299745 117689132 1 N3O3C16H19 A3B3C16D19 -47.57 3.49 -9.15 -0.34 0
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299746 117689139 1 N4O7F8H88C90 A4B7C8D88E90 -465.35 6.08 -8.27 -1.0 0
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299747 117689142 1 N3O4C18H21 A3B4C18D21 -100.34 6.72 -9.28 -1.01 0
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299748 117689146 1 OF2N3C11H13 AB2C3D11E13 -67.63 3.21 -9.64 -0.49 0
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299749 117689148 1 O2F3N3H26C27 A2B3C3D26E27 -105.87 1.69 -9.34 -0.93 0
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299750 117689154 1 N5O7C21H43 A5B7C21D43 -358.71 6.44 -9.51 -0.02 0
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299751 117689157 1 FN5O5C19H20 AB5C5D19E20 -4.56 8.55 -8.89 -1.82 0
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299752 117689158 1 O2N4C23H26 A2B4C23D26 16.32 3.74 -8.85 -0.81 0
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299753 117689165 2 SO2N3C11H13 AB2C3D11E13 40.64 5.01 -9.9 -0.78 0
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299754 117689167 1 ClN3H10C12 AB3C10D12 86.64 2.18 -8.78 -0.88 0
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299755 117689178 1 O4N5C30H39 A4B5C30D39 -62.84 5.81 -8.15 -0.49 0
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299756 117689181 1 N3Cl4H7C12 A3B4C7D12 65.0 1.51 -9.23 -1.17 0
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299757 117689187 1 FO2N5H16C20 AB2C5D16E20 72.05 6.59 -9.26 -1.3 0
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299758 117689192 1 ON4C20H20 AB4C20D20 55.61 6.05 -8.86 -0.43 0
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299759 117689193 1 O2N5C21H23 A2B5C21D23 69.45 6.53 -8.51 -0.52 0
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299760 117689207 1 ON2F4C18H24 AB2C4D18E24 -221.06 6.9 -9.06 -0.04 0
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299761 117689210 1 ON2H10C16 AB2C10D16 34.17 6.98 -8.98 -1.4 0
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299762 117689216 1 N4O7F8C88H100 A4B7C8D88E100 -543.63 7.13 -8.3 -0.88 0
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299763 117689243 1 FO2N4C26H27 AB2C4D26E27 -10.61 4.95 -8.74 -0.46 0
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299764 117689244 1 N3O3C18H19 A3B3C18D19 -20.61 5.36 -8.86 -0.94 0
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299765 117689251 1 O4N5C26H27 A4B5C26D27 -26.02 10.26 -9.0 -1.04 0
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299766 117689253 1 IOF3N3H11C14 ABC3D3E11F14 -86.36 4.28 -9.34 -1.51 0
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299767 117689258 1 O4N5H19C22 A4B5C19D22 2.7 8.65 -9.25 -1.33 0
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299768 117689265 1 O5C22H42 A5B22C42 -238.4 4.12 -9.5 1.33 0
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299769 117689273 1 FO2C13H15 AB2C13D15 -116.6 3.47 -9.87 -0.4 0
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299770 117689278 1 SN3O5C16H19 AB3C5D16E19 -64.34 4.96 -10.02 -1.87 0
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299771 117689283 1 O2N4H20C21 A2B4C20D21 33.29 5.91 -8.66 -0.44 0
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299772 117689286 1 NOF2H15C18 ABC2D15E18 -49.41 4.17 -9.68 -0.89 0
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299773 117689290 1 ON4C22H22 AB4C22D22 78.13 5.95 -8.84 -0.53 0
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299774 117689298 1 ON5C21H23 AB5C21D23 72.73 3.96 -8.51 -0.37 0
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299775 117689318 1 O2N4C23H24 A2B4C23D24 38.73 5.01 -8.68 -0.36 0
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299776 117689320 1 ON5C22H23 AB5C22D23 85.66 4.28 -8.5 -0.8 0
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299777 117689355 1 ON2H12C17 AB2C12D17 47.83 6.44 -8.95 -1.12 0
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299778 117689359 1 N3O3H23C24 A3B3C23D24 6.34 9.37 -8.63 -0.69 0
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299779 117689364 1 ClION3H11C13 ABCD3E11F13 65.95 4.78 -9.05 -1.32 0
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299780 117689394 1 BrN2O2C7H9 AB2C2D7E9 -35.37 2.1 -9.97 -0.47 0
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299781 117689395 1 O2N5H25C27 A2B5C25D27 85.22 6.31 -8.56 -0.3 0
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299782 117689410 1 N3O5C27H33 A3B5C27D33 -123.32 7.63 -8.82 -0.71 1
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299783 117689413 1 O2N5C16H18 A2B5C16D18 77.23 3.74 0.0 0.0 0
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299784 117689419 1 ON4C12H12 AB4C12D12 59.46 2.6 -9.11 -0.66 0
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299785 117695390 1 SCl2O14C32H32 AB2C14D32E32 -536.99 5.29 -9.58 -1.64 0
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299786 117695403 1 SF6O16H32C34 AB6C16D32E34 -923.42 5.58 -9.48 -2.1 0
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299787 117695441 1 N2O3F6C21H24 A2B3C6D21E24 -391.54 6.35 -9.3 -1.28 0
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299788 117695474 1 N4O4C19H24 A4B4C19D24 -95.71 8.49 -9.06 -0.9 0
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299789 117695484 2 ClNOC10H12 ABCD10E12 -48.36 5.25 -9.14 -0.49 3
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299790 117695575 1 C2O2F5N5P5H6 A2B2C5D5E5F6 -477.27 3.17 0.0 0.0 0
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299791 117695577 1 OC2P3F4N4H7 AB2C3D4E4F7 -298.42 3.22 -9.21 -0.62 0
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299792 117695582 1 FIN2O5C30H32 ABC2D5E30F32 -201.7 9.89 -9.1 -0.93 0
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299793 117695583 1 F2O2C4P4N5H16 A2B2C4D4E5F16 -297.32 9.89 0.0 0.0 0
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299794 117695585 1 O2N3C14H19 A2B3C14D19 -59.85 4.56 -9.04 -0.23 0
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299795 117695586 1 FN2O7C31H33 AB2C7D31E33 -297.82 5.55 -9.24 -0.82 0
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299796 117695590 1 FN4O6H35C41 AB4C6D35E41 -139.27 7.65 -9.02 -1.13 0
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299797 117695596 1 IN2O5C11H15 AB2C5D11E15 -173.21 6.49 -8.81 -1.17 0
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299798 117695609 2 NO2C8H13 AB2C8D13 -172.75 8.38 -8.37 -0.22 0
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299799 117695612 1 SF2N3O5H23C27 AB2C3D5E23F27 -215.54 5.88 -8.89 -1.16 0
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299800 117695616 1 FN2O5C30H41 AB2C5D30E41 -247.01 6.57 -8.66 0.09 0
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299801 117695623 1 BrO7C13H21 AB7C13D21 -312.31 4.28 -10.27 -0.79 0
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299802 117695693 2 O4N5C32H42 A4B5C32D42 -350.89 7.57 -9.16 -0.54 0
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299803 117695694 1 O7N10C54H78 A7B10C54D78 -315.35 13.4 -9.05 -0.3 0
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299804 117695695 1 N11O12C59H83 A11B12C59D83 -505.96 9.31 -9.64 -0.65 0
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299805 117695696 1 O8N9C61H93 A8B9C61D93 -431.79 6.16 -8.96 0.14 0
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299806 117695697 1 O8N9C65H85 A8B9C65D85 -339.91 5.45 -9.01 -0.77 0
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299807 117695699 1 O8N9C57H77 A8B9C57D77 -360.83 4.58 -8.86 -0.73 0
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299808 117695700 1 O8N9C64H87 A8B9C64D87 -334.06 6.25 -9.13 -0.92 0
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299809 117695703 1 N2C11H14 A2B11C14 50.6 2.05 -8.53 0.14 0
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299810 117695705 1 BrNPO3C14H15 ABCD3E14F15 -119.1 2.68 -9.99 -0.88 0
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299811 117695708 6 NOH8C9 ABC8D9 102.68 6.24 -8.2 -1.15 0
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299812 117695710 1 NPSO6C24H24 ABCD6E24F24 -168.25 10.55 -8.89 -0.88 0
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299813 117695712 1 PSN2O8C31H37 ABC2D8E31F37 -292.97 8.96 -8.98 -1.04 0
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299814 117695714 1 NPO8C29H36 ABC8D29E36 -319.13 4.3 -9.1 -0.56 0
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299815 117695716 1 PN2O7C32H37 AB2C7D32E37 -257.47 3.25 -8.78 -0.8 0
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299816 117695719 2 O3C8H13 A3B8C13 -289.81 5.26 -10.67 -0.41 0
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299817 117695752 1 F3O4N5C21H24 A3B4C5D21E24 -261.73 6.18 -9.29 -0.72 0
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299818 117695755 1 F2O3N4C23H26 A2B3C4D23E26 -146.1 5.54 -9.36 -0.54 0
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299819 117695758 1 O2F3N4C17H17 A2B3C4D17E17 -202.23 6.71 -9.65 -0.93 0
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299820 117695760 2 SN2O4C39H67 AB2C4D39E67 -553.01 6.52 -8.36 -1.1 0
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299821 117695770 1 N2C11H22 A2B11C22 -13.71 2.46 -8.82 1.44 0
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299822 117695773 1 O8C23H44 A8B23C44 -421.04 4.44 -9.65 0.39 0
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299823 117695774 1 O2C9H10 A2B9C10 -42.96 6.0 -9.61 -0.79 0
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299824 117695776 1 ClSO2N4H19C23 ABC2D4E19F23 17.25 6.7 -8.17 -0.88 0
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299825 117695777 1 ClNSO2H18C23 ABCD2E18F23 19.44 3.48 -8.61 -1.05 0