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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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409085 135081860 1 K2O3H6C8 A2B3C6D8 -126.96 16.14 -5.86 0.3 0
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409086 135081861 2 O8C60H79 A8B60C79 -420.6 4.66 -8.01 -0.68 1
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409087 135081862 1 NOPC6H6 ABCD6E6 -26.74 1.18 -8.59 0.0 0
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409088 135081863 1 OH2N2S2C3 AB2C2D2E3 41.89 0.66 -9.4 -2.28 0
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409089 135081864 1 NSbS2Cl6C14H20 ABC2D6E14F20 -94.51 16.42 -10.01 -3.65 0
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409090 135081865 1 N2S2O3C6H6 A2B2C3D6E6 -44.26 1.91 -9.49 -2.38 0
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409091 135081866 1 H5N5C8 A5B5C8 109.04 1.21 -9.18 -1.95 0
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409092 135081867 1 PC15H23 AB15C23 9.22 6.89 -6.74 1.11 0
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409095 135081870 1 PN3O3C30H34 AB3C3D30E34 -74.35 6.62 -8.06 -0.24 0
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409096 135081872 1 PO2C9H13 AB2C9D13 -97.24 2.64 -9.46 0.87 0
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409097 135081873 1 Cl4N6O8H10C15 A4B6C8D10E15 20.08 6.25 -10.18 -2.35 0
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409098 135081874 1 FN9C12O14H20 AB9C12D14E20 -60.62 7.98 -10.97 -2.83 0
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409099 135081875 1 FC9N9H14O14 AB9C9D14E14 -45.94 3.27 -11.29 -2.81 0
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409100 135081876 1 Cl2N6O8H16C17 A2B6C8D16E17 13.91 8.1 -10.17 -2.0 0
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409101 135081877 1 H10N10O12C17 A10B10C12D17 130.81 6.56 -11.41 -2.84 0
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409102 135081878 1 Cl2N8H10O12C15 A2B8C10D12E15 44.34 9.18 -10.97 -2.55 0
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409103 135081879 2 NOC5H8 ABC5D8 2.98 6.14 -9.32 -0.52 0
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409104 135081880 1 N8O12H16C17 A8B12C16D17 38.57 8.62 -10.75 -2.37 0
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409105 135081881 1 N2O2C15H16 A2B2C15D16 34.95 5.11 -9.3 -0.56 0
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409106 135081882 1 N2O2C15H16 A2B2C15D16 32.31 5.27 -9.39 -0.64 0
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409107 135081883 2 N4H5O6C7 A4B5C6D7 54.63 6.3 -11.0 -2.8 0
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409108 135081884 1 H10N10C15O16 A10B10C15D16 72.28 4.08 -11.08 -3.34 0
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409109 135081885 2 NOC8H9 ABC8D9 29.98 5.0 -9.11 -0.58 0
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409110 135081886 1 N2O2H14C15 A2B2C14D15 64.13 4.65 -9.18 -0.76 0
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409111 135081887 1 N3O4H11C13 A3B4C11D13 42.11 5.06 -9.72 -1.63 0
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409112 135081888 2 H15C26 A15B26 220.52 0.43 -8.34 -0.87 0
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409113 135081889 2 H13C23 A13B23 474.35 4.28 -8.05 -1.54 0
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409114 135081890 2 H13C23 A13B23 608.54 2.85 -8.31 -1.47 0
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409115 135081891 1 OH16C21 AB16C21 47.06 2.47 -8.38 -0.69 -1
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409116 135081892 1 FFeSO6H7C8 ABCD6E7F8 -195.29 3.47 -9.23 -0.3 -1
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409117 135081893 1 FFeSO6C9H9 ABCD6E9F9 -161.13 4.51 -8.67 -0.4 -1
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409118 135081894 1 FFeSO6C9H9 ABCD6E9F9 -197.72 5.56 -9.15 -0.08 0
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409119 135081895 3 C2H3 A2B3 36.28 0.65 0.0 0.0 0
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409120 135081896 1 FeC11H11 AB11C11 143.82 1.35 0.0 0.0 0
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409121 135081897 1 FeOC15H21 ABC15D21 152.43 0.77 0.0 0.0 0
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409122 135081898 1 FeO2C9H9 AB2C9D9 -20.74 7.52 0.0 0.0 0
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409124 135081900 1 NO3C20H22 AB3C20D22 -64.85 3.04 0.0 0.0 0
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409125 135081901 1 BrMgN3O3C8H12 ABC3D3E8F12 -179.49 4.84 -9.94 -1.0 0
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409126 135081902 1 N3O3C8H13 A3B3C8D13 -105.13 3.32 -9.85 -0.09 0
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409127 135081903 1 LiN3O3C8H12 AB3C3D8E12 -144.23 6.86 -9.13 0.38 0
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409128 135081904 1 NO2C17H23 AB2C17D23 -44.01 1.86 -8.41 -0.39 0
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409129 135081906 1 ClMgNSO5C12H16 ABCDE5F12G16 -222.81 7.67 -8.96 -1.2 0
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409130 135081907 1 NLi2O3H9C14 AB2C3D9E14 -115.31 2.81 -8.49 -0.38 0
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409131 135081908 1 N3O6C29H37 A3B6C29D37 -217.99 5.95 -8.44 -0.84 0
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409132 135081909 1 N2O6C29H42 A2B6C29D42 -207.04 2.76 -9.22 -0.4 0
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409133 135081910 1 LiO2C3H5 AB2C3D5 -76.53 3.34 -8.79 1.83 0
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409134 135081912 1 NSF2O6C16H29 ABC2D6E16F29 -385.67 3.35 -9.71 -0.55 0
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409135 135081913 1 ClSN2O6C21H39 ABC2D6E21F39 -301.03 5.17 -8.82 0.33 0
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409136 135081914 1 LiNH16C22 ABC16D22 113.93 9.37 -6.78 -0.28 0
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409137 135081916 1 NH15C17 AB15C17 77.25 2.39 -9.25 -0.3 0