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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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297068 117607531 1 N3O3C29H31 A3B3C29D31 -51.54 6.65 -8.55 -0.28 0
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297069 117607570 1 ON4F6H16C20 AB4C6D16E20 -267.8 3.0 -9.85 -1.7 0
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297070 117607571 1 O2F3N4C18H19 A2B3C4D18E19 -173.02 3.92 -9.79 -0.63 0
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297071 117607580 1 SN3O7H23C25 AB3C7D23E25 -155.31 7.65 -9.34 -1.47 0
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297072 117607586 1 OF3N4C26H31 AB3C4D26E31 -155.2 6.51 -8.03 -0.57 0
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297073 117607699 1 BrFN3O3C28H29 ABC3D3E28F29 -98.51 9.87 -8.9 -0.91 0
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297074 117607722 1 N3O3C29H31 A3B3C29D31 -61.87 4.84 -8.68 -0.37 0
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297075 117607824 1 INOF2C7H10 ABCD2E7F10 -136.47 2.66 -9.46 -1.62 0
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297076 117607831 1 IO2C4H5 AB2C4D5 -45.82 2.17 -10.15 -1.7 0
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297077 117607945 1 N3O8C32H41 A3B8C32D41 -299.18 4.55 -8.8 -0.37 0
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297078 117607978 1 N3O7C30H43 A3B7C30D43 -282.92 6.62 -8.85 -0.03 0
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297079 117608008 1 NO4C15H27 AB4C15D27 -232.6 3.21 -10.14 0.46 0
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297080 117608022 1 N4O6C31H44 A4B6C31D44 -215.77 2.23 -8.71 -0.17 0
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297081 117608041 1 N5O6C31H43 A5B6C31D43 -229.44 3.73 -9.25 -0.48 0
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297082 117608060 1 N4O6C31H40 A4B6C31D40 -193.05 5.36 -8.83 -0.29 0
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297083 117608071 1 N3O7C24H37 A3B7C24D37 -304.8 3.11 -8.87 0.04 0
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297084 117608072 1 NO3C11H17 AB3C11D17 -136.21 2.86 -10.18 0.36 0
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297085 117608156 2 NO3C7H13 AB3C7D13 -299.05 6.03 -9.28 0.18 1
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297086 117608304 1 NPO6C13H17 ABC6D13E17 -259.9 5.7 0.0 0.0 0
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297087 117608322 1 SO3N4H14C18 AB3C4D14E18 4.77 4.66 -8.38 -1.75 0
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297088 117608326 1 ClN2O3H15C20 AB2C3D15E20 -39.25 6.12 -8.7 -1.48 0
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297089 117608333 1 BrO2N4H19C20 AB2C4D19E20 79.16 3.33 -8.71 -2.57 0
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297090 117608351 1 ClSN2O3H15C20 ABC2D3E15F20 -27.01 7.52 -8.32 -1.45 0
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297091 117608403 1 NO2C17H19 AB2C17D19 -31.51 5.05 -8.42 -0.29 0
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297092 117608462 2 NO2C8H10 AB2C8D10 -128.67 6.02 -9.33 -0.64 0
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297093 117608474 1 SF3N4O4H23C24 AB3C4D4E23F24 -248.02 6.4 -9.0 -1.58 0
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297094 117608522 1 SO3N4C22H24 AB3C4D22E24 193.58 3.81 -7.87 -0.9 0
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297095 117608656 1 O9C25H30 A9B25C30 -287.51 2.45 -9.22 -0.4 0
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297096 117608657 2 NO3C9H14 AB3C9D14 -293.42 5.12 -9.59 0.26 0
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297097 117608687 1 NSO2C16H17 ABC2D16E17 -45.35 8.31 -8.66 -0.51 0
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297098 117608818 1 NF2O2C17H19 AB2C2D17E19 -129.4 3.39 -9.1 -0.61 0
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297099 117608824 1 ClFSN2O3C16H18 ABCD2E3F16G18 -124.12 6.79 -9.73 -1.03 0
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297100 117608847 1 ClFO2N3C16H17 ABC2D3E16F17 -90.64 2.81 -8.71 -0.59 0
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297101 117608854 1 ClFN3O3C20H23 ABC3D3E20F23 -144.94 8.99 -9.39 -0.84 0
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297102 117608861 1 ClFO2N3C24H31 ABC2D3E24F31 -83.31 6.64 -8.92 -0.37 0
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297103 117608879 1 ClFN3O3C25H33 ABC3D3E25F33 -148.21 4.71 -9.22 -0.77 0
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297104 117609017 1 F2O2N3C21H29 A2B2C3D21E29 -175.71 3.55 -8.85 -0.93 0
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297105 117609071 1 F4N10O10C59H72 A4B10C10D59E72 -547.71 5.72 -8.58 -0.59 0
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297106 117609135 1 F3N6O8C43H53 A3B6C8D43E53 -425.63 8.91 -8.9 -1.81 0
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297107 117609141 2 FON2C15H15 ABC2D15E15 -89.35 5.73 -9.14 -0.59 0
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297108 117609154 1 ClN8O11C60H71 AB8C11D60E71 -397.92 4.07 -9.33 -1.42 0
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297109 117609163 1 SO3N8C28H32 AB3C8D28E32 40.38 9.18 -8.01 -0.65 0
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297110 117609230 1 F3N7O8C45H54 A3B7C8D45E54 -402.61 7.81 -9.04 -1.9 0
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297111 117609232 1 F4N11O11C60H75 A4B11C11D60E75 -602.32 9.34 -8.88 -1.7 0
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297112 117609265 1 F3N6O9C46H55 A3B6C9D46E55 -444.22 6.53 -9.14 -1.71 0
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297113 117609272 1 F3N7O7C40H50 A3B7C7D40E50 -382.52 8.08 -8.84 -0.32 0
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297114 117609572 1 O2F3N7C23H24 A2B3C7D23E24 -115.97 4.81 -8.48 -1.98 0
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297115 117609636 1 ClO2N4C15H17 AB2C4D15E17 -32.46 4.72 -8.85 -0.78 0
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297116 117609640 1 O3N8C27H32 A3B8C27D32 -20.9 4.05 -8.85 -1.06 0
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297117 117609689 1 O3N7C28H31 A3B7C28D31 6.76 6.26 -8.94 -1.02 0