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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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426049 135135479 1 N2O2C19H30 A2B2C19D30 -127.95 2.96 -9.27 0.26 0
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426050 135135480 1 N3C13H21 A3B13C21 3.56 2.67 -8.52 0.45 0
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426051 135135547 1 OSF3N4C17H19 ABC3D4E17F19 -147.24 2.83 -9.04 -1.0 0
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426052 135135548 1 N2F3C11H13 A2B3C11D13 -139.14 2.49 -9.17 -0.92 0
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426053 135135549 1 OSN5C15H19 ABC5D15E19 26.24 4.96 -8.98 -0.69 0
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426054 135135552 1 SO2F3N4C20H25 AB2C3D4E20F25 -218.0 1.66 -8.9 -0.29 0
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426055 135135676 1 N2C13H14 A2B13C14 101.43 5.79 -9.18 -0.98 0
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426056 135135692 1 SF3O5N6H23C25 AB3C5D6E23F25 -197.11 3.2 -9.51 -1.12 0
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426057 135135693 1 SO5N6C26H28 AB5C6D26E28 -42.82 4.58 -9.18 -0.59 0
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426058 135135695 1 N8O13C60H104 A8B13C60D104 -661.89 3.22 -8.74 0.34 0
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426059 135135699 1 Br2N13O20C75H121 A2B13C20D75E121 -960.37 11.88 -8.98 -1.33 0
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426060 135135702 1 SN3C7H9 AB3C7D9 46.19 2.74 -8.19 -0.33 0
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426061 135135703 1 FCl2O2N4H21C23 AB2C2D4E21F23 -55.48 3.15 -8.78 -1.11 0
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426062 135135841 1 SF3N4O4H29C30 AB3C4D4E29F30 -157.76 5.57 -8.62 -0.76 0
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426063 135135842 1 SF3N4O5H29C30 AB3C4D5E29F30 -214.44 5.33 -9.54 -1.18 0
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426064 135135843 1 SF3N4C17H23 AB3C4D17E23 -136.25 4.59 -8.75 -0.92 0
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426065 135135844 1 SF3N4C17H23 AB3C4D17E23 -133.09 7.15 -8.64 -0.83 0
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426066 135135922 1 SF3N4C22H25 AB3C4D22E25 -104.05 5.0 -8.78 -0.92 0
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426067 135135959 1 SF3N5C21H30 AB3C5D21E30 -117.56 3.93 -8.55 -0.74 0
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426068 135135972 1 SF3N6C26H29 AB3C6D26E29 -46.51 5.78 -8.68 -0.87 0
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426069 135136096 2 FNOC7H9 ABCD7E9 -176.96 6.91 -9.28 -0.96 0
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426070 135136097 1 BrNC5H10 ABC5D10 -13.62 4.03 -9.96 -0.1 0
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426071 135136342 1 OSN3C17H23 ABC3D17E23 -30.77 4.75 -8.18 -0.32 0
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426072 135136343 1 N2C7H14 A2B7C14 1.03 0.17 -7.41 0.88 0
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426073 135136346 1 P2N5O8C12H27 A2B5C8D12E27 -415.93 3.62 -8.86 0.32 0
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426074 135136348 1 N2O2C27H42 A2B2C27D42 -110.47 6.03 -8.91 -0.18 0
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426075 135136350 1 N3O6H19C20 A3B6C19D20 -191.98 2.98 -9.2 -1.34 0
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426076 135136351 2 ON3C9H10 AB3C9D10 37.11 3.87 -9.06 -0.4 0
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426077 135136352 1 ClFN2O2H16C18 ABC2D2E16F18 -49.77 1.74 -9.4 -1.1 0
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426078 135136353 1 ClFON5C25H25 ABCD5E25F25 -5.97 3.07 -8.93 -0.46 0
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426079 135136354 1 NSC8H15 ABC8D15 1.72 2.47 -8.73 0.43 1
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426080 135136355 1 PN5O6C16H17 AB5C6D16E17 -132.82 5.37 0.0 0.0 0
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426081 135136368 1 ClOC21H31 ABC21D31 -87.33 3.6 -9.28 -0.12 0
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426082 135136412 1 SO3N5C28H35 AB3C5D28E35 -33.52 5.23 -8.94 -1.12 0
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426083 135136473 1 FON3C19H38 ABC3D19E38 -124.55 3.95 -8.52 2.25 0
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426084 135136478 1 OC14H16 AB14C16 14.76 1.31 -8.5 0.04 0
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426085 135136480 1 ClNO2C20H30 ABC2D20E30 -99.71 4.3 -8.66 -0.36 0
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426086 135136481 1 NO2C15H29 AB2C15D29 -148.85 4.69 -9.62 1.31 0
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426087 135136569 1 NSO2F3C10H10 ABC2D3E10F10 -222.73 7.29 -10.16 -1.09 0
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426088 135136759 1 N3O4C19H29 A3B4C19D29 -127.94 2.53 -8.24 0.11 0
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426089 135136904 1 ClFO3N6H20C23 ABC3D6E20F23 -49.83 5.82 -9.1 -1.42 0
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426090 135136955 1 ClOSN9H24C25 ABCD9E24F25 102.57 6.86 -8.92 -0.91 0
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426091 135137141 1 ClOF5N8H18C24 ABC5D8E18F24 -108.42 6.34 -8.64 -1.97 0
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426092 135137183 1 SC17H32 AB17C32 -29.99 1.95 -8.19 1.07 0
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426093 135137184 1 ClFNH7C10 ABCD7E10 5.86 4.92 -9.83 -1.21 0
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426094 135137252 1 NC10H21 AB10C21 -19.87 1.95 -8.52 1.42 0
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426095 135137315 1 ON5C16H27 AB5C16D27 -7.75 3.38 -9.86 0.02 0
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426096 135137316 1 O3N9C17H19 A3B9C17D19 -13.1 5.58 -8.88 -1.33 0
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426097 135137317 1 NH43C51 AB43C51 178.7 0.85 -7.8 -0.22 0
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426098 135137318 1 SO3N6H20C22 AB3C6D20E22 31.19 6.09 -9.13 -1.59 0
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426099 135137352 1 FNC11H12 ABC11D12 -17.69 5.5 -9.81 -0.77 0
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426100 135137500 1 ON2C20H26 AB2C20D26 2.39 3.47 -8.78 0.26 0
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426101 135137700 1 SN4C21H22 AB4C21D22 94.82 4.9 -8.73 -0.75 0
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426102 135137869 1 ON2C20H26 AB2C20D26 2.12 3.77 -8.83 0.23 0
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426103 135137870 1 ClO7N8C33H45 AB7C8D33E45 -256.83 7.06 -8.56 -1.11 0
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426104 135137885 1 OSN5C18H21 ABC5D18E21 23.63 3.24 -8.72 -0.18 0
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426105 135138021 1 O2N4C21H24 A2B4C21D24 3.75 7.48 -8.66 -0.2 0
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426106 135138119 1 O2N3C23H25 A2B3C23D25 4.58 5.64 -8.52 -0.13 0
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426107 135138352 1 FO2N4H23C26 AB2C4D23E26 -35.94 5.74 -8.99 -0.88 0
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426108 135138393 1 FO3N5C29H32 AB3C5D29E32 -63.4 9.62 -8.01 -0.85 0
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426109 135138692 1 SF2O3N4H22C24 AB2C3D4E22F24 -105.31 3.14 -9.12 -0.98 0
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426110 135138943 1 ClO3N5C34H52 AB3C5D34E52 -88.0 5.76 -7.98 0.02 0
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426111 135139027 1 F2N4O4C25H28 A2B4C4D25E28 -184.2 0.98 -8.95 -0.8 0
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426112 135139190 1 ClC11H15 AB11C15 -23.92 2.28 -9.04 0.2 0
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426113 135139485 2 ON3H11C12 AB3C11D12 72.21 3.89 -9.46 -1.1 1
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426114 135139787 1 N3O5C29H40 A3B5C29D40 -140.66 1.07 0.0 0.0 1
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426115 135139799 1 NOC17H26 ABC17D26 -7.19 1.73 0.0 0.0 0
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426116 135140404 1 SN2H44C64 AB2C44D64 255.91 1.49 -8.03 -0.49 0
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426117 135140545 1 OSN2H34C43 ABC2D34E43 102.01 2.49 -8.07 -1.29 0
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426118 135140722 1 F2O8N9C42H57 A2B8C9D42E57 -422.72 5.88 -8.97 -0.43 0
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426119 135140725 4 NOC9H13 ABC9D13 -180.78 6.74 -8.59 -0.18 0
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426120 135140727 1 F2N9O13C62H83 A2B9C13D62E83 -601.37 6.37 -8.85 -1.7 0
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426121 135140736 2 FN4O8C30H44 AB4C8D30E44 -732.71 9.46 -9.42 -1.7 0
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426122 135140823 1 F2N10O11C48H60 A2B10C11D48E60 -523.52 9.07 -8.78 -1.93 0
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426123 135140824 2 FN5O5C26H34 AB5C5D26E34 -488.98 6.55 -8.61 -0.3 0
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426124 135140825 1 F2N10O13C50H62 A2B10C13D50E62 -610.51 11.37 -8.79 -1.86 0
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426125 135140826 1 F2N10O13C49H60 A2B10C13D49E60 -587.59 7.17 -8.84 -2.0 0
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426126 135140827 1 F2O4N5C33H43 A2B4C5D33E43 -239.15 3.97 -8.96 -0.41 0
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426127 135140833 1 BrOH21C28 ABC21D28 70.1 2.76 -9.44 -0.57 0
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426128 135140931 1 N3O5C11H13 A3B5C11D13 -85.15 6.32 -9.55 -1.59 0
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426129 135140932 1 O3N4C27H30 A3B4C27D30 -37.25 3.34 -8.93 -0.46 0
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426130 135140933 2 N2C15H17 A2B15C17 86.86 4.2 -8.62 -0.09 0
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426131 135140934 1 SF2N4O7C38H52 AB2C4D7E38F52 -351.85 6.19 -7.24 -0.42 0
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426132 135140940 1 FO4N6H29C30 AB4C6D29E30 -73.11 2.82 -8.76 -0.91 0
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426133 135141047 1 O2F3N4C22H35 A2B3C4D22E35 -239.43 4.14 -8.82 -0.82 0
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426134 135141048 1 NO2C16H25 AB2C16D25 -79.26 2.57 -9.41 0.29 0
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426135 135141049 1 ON3C17H29 AB3C17D29 -21.79 3.69 -8.73 0.38 0
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426136 135141054 1 N2F3O3C18H25 A2B3C3D18E25 -286.88 5.29 -9.8 -1.35 0
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426137 135141057 1 O2F3N3C22H34 A2B3C3D22E34 -256.82 4.0 -8.92 -1.15 0
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426138 135141058 1 SN2O2C25H36 AB2C2D25E36 -64.9 2.8 -8.96 -0.46 0
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426139 135141074 1 IN2S3H7C11 AB2C3D7E11 107.32 3.33 -8.96 -1.63 0
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426140 135141170 1 FNSH10C11 ABCD10E11 -1.63 0.96 -9.03 -0.51 0
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426141 135141172 1 SO3N5H23C24 AB3C5D23E24 -22.03 2.78 -9.32 -1.13 0
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426142 135141173 1 N3C4H11 A3B4C11 35.85 1.64 -8.9 1.02 0
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426143 135141179 1 N2O3C30H42 A2B3C30D42 -125.07 3.06 -8.81 -0.14 0
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426144 135141305 1 SO2N5H25C28 AB2C5D25E28 54.5 3.14 -8.74 -1.12 0
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426145 135141306 1 SN2O3C18H22 AB2C3D18E22 -92.54 2.76 -9.38 -1.05 0
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426146 135141311 1 FSN3O3C30H32 ABC3D3E30F32 -87.47 3.84 -9.33 -1.18 0
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426147 135141431 1 N2O3C19H30 A2B3C19D30 -129.66 4.8 -9.6 -0.02 0
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426149 135141433 2 NC3H4 AB3C4 90.12 2.37 -8.92 -1.17 0