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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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315003 126624158 1 SN4O4C30H44 AB4C4D30E44 -151.81 6.39 -7.96 -0.23 0
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315004 126624159 1 SN2O4C26H36 AB2C4D26E36 -157.86 2.54 -8.32 -0.53 0
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315005 126624160 1 SN2O4C26H36 AB2C4D26E36 -165.04 1.56 -9.08 -0.56 0
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315006 126624161 1 SN3O3C30H41 AB3C3D30E41 -102.84 3.81 -8.74 -0.25 0
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315007 126624165 1 SN3O3C29H41 AB3C3D29E41 -124.67 5.09 -8.68 -0.18 0
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315008 126624166 1 BrSN2O3C19H29 ABC2D3E19F29 -91.8 4.77 -8.62 -0.72 0
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315010 126624169 1 ClFO4H18C20 ABC4D18E20 -177.01 7.72 -9.65 -1.22 0
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315011 126624171 1 FNO6C29H40 ABC6D29E40 -311.79 4.93 -9.36 -0.58 0
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315012 126624172 1 ClON2C12H13 ABC2D12E13 -25.73 3.88 -8.46 -0.81 0
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315013 126624173 1 FNO6C29H40 ABC6D29E40 -319.75 4.37 -9.35 -0.62 0
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315015 126624181 1 SO3N4C29H42 AB3C4D29E42 -98.37 4.99 -8.43 -0.1 0
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315017 126624183 1 NSO4C20H31 ABC4D20E31 -195.1 1.86 -9.02 -0.5 0
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315018 126624184 1 SO2N4C26H38 AB2C4D26E38 -88.68 4.46 -8.34 -0.23 0
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315021 126624189 1 SN4O4C29H44 AB4C4D29E44 -143.37 9.16 -8.47 -0.41 0
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315022 126624193 1 BrNSO4C16H22 ABCD4E16F22 -153.17 5.34 -8.88 -0.76 0
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315025 126624204 1 FN2O6C21H23 AB2C6D21E23 -217.13 8.02 -9.06 -0.88 0
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315026 126624221 1 SN3O7C27H31 AB3C7D27E31 -180.68 7.1 -8.37 -1.08 0
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315027 126624224 1 N3O4H15C16 A3B4C15D16 -52.37 5.55 -8.57 -1.34 0
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315028 126624228 1 SN2O4C16H22 AB2C4D16E22 -158.61 3.07 -8.35 -0.6 0
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315029 126624238 1 SF3N3O5C26H28 AB3C3D5E26F28 -258.27 4.46 -8.6 -1.36 1
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315030 126624239 1 N3S3O4C17H18 A3B3C4D17E18 -86.64 7.15 0.0 0.0 0
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315031 126624240 1 NC12H15 AB12C15 86.46 2.39 -8.91 -0.46 0
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315032 126624241 1 O4N7C14H17 A4B7C14D17 -58.95 4.27 -9.04 -1.0 0
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315033 126624245 1 OC16H16 AB16C16 18.86 1.65 -8.64 0.05 0
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315034 126624246 1 OC17H26 AB17C26 -50.41 1.61 -8.28 0.56 0
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315036 126624248 1 OC18H20 AB18C20 8.67 2.15 -8.49 0.06 0
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315037 126624253 1 OC21H26 AB21C26 -14.52 1.85 -8.75 0.08 0
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315038 126624254 1 OC15H22 AB15C22 -36.04 1.69 -8.88 0.06 0
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315040 126624258 2 OC10H18 AB10C18 -119.09 1.55 -9.19 0.6 0
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315041 126624260 1 O4N7C32H37 A4B7C32D37 -35.29 2.63 -8.57 -0.77 0
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315042 126624261 1 O3N7C24H29 A3B7C24D29 -15.25 8.29 -8.79 -0.96 0
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315044 126624267 1 O11C12H22 A11B12C22 -497.14 2.9 -10.39 0.21 0
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315045 126624278 1 N11C20H53 A11B20C53 13.08 2.37 -8.71 1.98 0
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315046 126624286 1 N4C19H24 A4B19C24 80.98 1.49 -9.28 -0.05 0
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315047 126624288 1 N4C13H28 A4B13C28 -5.88 2.28 -9.43 0.53 0
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315048 126624289 2 N2C13H17 A2B13C17 42.38 4.18 -8.07 0.22 0
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315049 126624290 1 N4C7H16 A4B7C16 38.1 3.13 -9.26 0.16 0
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315050 126624291 1 N4O4C13H28 A4B4C13D28 -150.68 2.59 -9.43 -0.38 0
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315052 126624293 1 O2S3C12H22 A2B3C12D22 -124.23 3.44 -8.34 -1.01 0
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315053 126624295 1 SN2O2C11H18 AB2C2D11E18 -76.22 2.05 -8.95 -0.29 0
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315054 126624296 1 NO4C8H13 AB4C8D13 -191.9 5.5 -10.37 -0.23 0
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315055 126624297 1 NO5C22H41 AB5C22D41 -306.72 4.77 -9.25 0.76 0
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315056 126624298 1 SN3O6C18H35 AB3C6D18E35 -318.11 9.79 -8.89 0.41 0
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315057 126624301 1 NO4C12H23 AB4C12D23 -214.45 3.93 -9.97 0.52 0
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315059 126624303 1 SN2C4H10 AB2C4D10 28.84 1.58 -8.77 -0.07 0
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315060 126624307 1 ON2C15H22 AB2C15D22 -32.76 3.63 -8.23 -0.11 0
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315061 126624308 2 ClC4H6 AB4C6 -20.35 0.0 -9.02 -0.31 0
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315062 126624310 1 NC22H23 AB22C23 44.98 2.28 -7.93 0.19 0
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315063 126624311 1 NOC24H27 ABC24D27 -12.78 2.28 -7.91 0.14 0
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315064 126624312 1 NO2C13H25 AB2C13D25 -109.3 1.66 -9.19 2.16 0
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315065 126624314 2 ON2C13H18 AB2C13D18 -65.83 4.53 -8.13 -0.87 0
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315067 126624316 1 FNOC11H18 ABCD11E18 -81.5 2.88 -9.37 -0.05 1
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315068 126624317 1 N2O5C48H91 A2B5C48D91 -336.78 5.53 0.0 0.0 0
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315070 126624323 1 N2O3C9H18 A2B3C9D18 -157.87 4.92 -9.99 0.43 0
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315071 126624324 1 O3C10H12 A3B10C12 -85.85 3.92 -9.99 -0.88 0
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315072 126624326 1 NC12H27 AB12C27 -47.49 0.95 -8.13 2.74 0
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315073 126624335 2 N2H39C53 A2B39C53 422.73 2.95 -7.8 -0.55 0
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315074 126624339 1 ON3H73C100 AB3C73D100 360.86 3.49 -7.87 -0.67 0
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315075 126624343 2 N2H37C52 A2B37C52 472.59 0.36 -7.72 -0.46 0
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315077 126624346 1 SO2N5H75C86 AB2C5D75E86 198.63 3.29 -8.19 -1.3 0
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315078 126624377 1 OC23H42 AB23C42 -74.49 2.25 -8.67 1.27 0
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315080 126624379 1 NC11H21 AB11C21 -12.96 1.01 -8.32 1.33 0
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315081 126624380 1 NC12H23 AB12C23 -21.01 0.98 -8.28 1.39 0
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315083 126624386 1 F2O2C21H28 A2B2C21D28 -212.91 3.96 -8.89 0.03 0
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315085 126624389 1 O4C11H18 A4B11C18 -185.88 4.7 -10.24 0.32 0
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315087 126624399 1 NO4C12H19 AB4C12D19 -183.66 1.41 -9.63 0.22 0
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315088 126624401 1 FN2C22H23 AB2C22D23 -3.18 6.89 -8.45 -0.1 0
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315090 126624411 1 O3N5C21H21 A3B5C21D21 -29.87 10.1 -9.13 -0.74 0
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315092 126624415 2 O6C14H17 A6B14C17 -414.22 1.02 -10.37 0.16 0
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315094 126624419 1 SN2O3C39H72 AB2C3D39E72 -221.34 3.66 -8.96 -0.07 0
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315095 126624421 1 N4O4C23H28 A4B4C23D28 -125.31 2.5 -9.12 0.12 0
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315097 126624424 1 SF2N6O8C29H34 AB2C6D8E29F34 -302.65 3.37 -9.45 -0.77 0
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315098 126624425 1 NO2C13H17 AB2C13D17 -49.78 1.81 -9.68 -0.41 0
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315099 126624426 1 SF2N6O8C28H30 AB2C6D8E28F30 -283.18 4.34 -9.51 -0.85 0
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315101 126624438 1 ClOSN5C20H20 ABCD5E20F20 44.89 2.42 -8.81 -0.88 0