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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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218278 85089120 1 N2O3C28H32 A2B3C28D32 -81.38 2.83 -8.97 0.14 0
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218279 85089121 1 SN2O2C27H28 AB2C2D27E28 -13.63 6.3 -8.49 -0.72 0
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218280 85089122 4 OC7H11 AB7C11 -229.04 3.05 -9.19 0.8 0
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218281 85089123 1 O3C29H48 A3B29C48 -207.7 3.93 -9.8 0.24 0
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218282 85089124 1 SSiN2O4C21H40 ABC2D4E21F40 -264.88 1.73 -7.93 0.4 0
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218283 85089125 1 OSC29H48 ABC29D48 -52.75 3.08 -8.09 0.64 0
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218284 85089126 1 OSC29H48 ABC29D48 -54.07 4.64 -8.45 0.31 0
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218285 85089127 1 ClF2O5C22H27 AB2C5D22E27 -310.55 7.7 -9.3 -0.22 0
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218286 85089128 1 ClN2S2O5C18H21 AB2C2D5E18F21 -138.03 5.96 -8.83 -1.03 0
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218287 85089130 1 Cl2O6C21H26 A2B6C21D26 -261.87 3.99 -9.29 -0.6 0
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218288 85089131 1 NSO10C18H23 ABC10D18E23 -333.22 1.22 -10.48 -2.2 0
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218289 85089132 1 FO3N5H22C24 AB3C5D22E24 -82.21 6.02 -9.12 -0.89 0
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218290 85089133 1 F2N3O4C23H25 A2B3C4D23E25 -216.27 3.79 -9.59 -0.69 0
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218291 85089135 1 F2S2O3N5C17H21 A2B2C3D5E17F21 -150.88 7.8 -9.01 -0.69 0
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218292 85089136 1 OSN7C23H27 ABC7D23E27 60.09 8.37 -8.5 -0.3 0
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218293 85089137 1 SN3O4C23H31 AB3C4D23E31 -126.28 6.06 -8.6 -0.29 0
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218294 85089138 1 N3O4C25H39 A3B4C25D39 -209.75 7.89 -9.55 0.21 0
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218295 85089140 1 ClSO3N5C20H20 ABC3D5E20F20 -1.35 7.84 -8.51 -0.79 0
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218296 85089141 1 BrN3O7C16H20 AB3C7D16E20 -206.08 0.37 -9.56 -1.76 0
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218297 85089142 1 FIO3C19H24 ABC3D19E24 -171.68 5.81 -8.88 -0.92 0
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218298 85089144 1 N2O6H22C25 A2B6C22D25 -95.31 4.21 -9.36 -1.53 0
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218299 85089145 1 N4O5H20C24 A4B5C20D24 -0.45 8.26 -9.75 -2.11 0
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218300 85089146 1 BrNOC25H36 ABCD25E36 19.76 50.69 -5.1 -3.89 1
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218301 85089147 1 NOC25H36 ABC25D36 -35.07 2.73 0.0 0.0 0
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218302 85089148 1 FO6C25H31 AB6C25D31 -293.54 2.23 -8.24 -0.68 0
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218303 85089149 1 SO7C23H26 AB7C23D26 -211.04 4.88 -9.88 -1.02 0
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218304 85089150 2 NO3C12H17 AB3C12D17 -245.15 1.42 -8.63 -0.27 0
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218305 85089151 1 N2O4C27H30 A2B4C27D30 -75.17 6.24 -9.16 -0.74 0
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218306 85089152 1 N2S2O5C21H22 A2B2C5D21E22 -114.14 2.29 -9.44 -1.42 0
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218307 85089153 1 O5C27H42 A5B27C42 -265.38 2.3 -9.83 -0.87 0
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218308 85089154 1 O5C27H42 A5B27C42 -279.26 3.02 -9.69 0.72 0
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218309 85089155 1 SiO4C26H42 AB4C26D42 -216.67 3.82 -8.78 0.18 0
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218310 85089156 2 OSiC13H23 ABC13D23 -196.98 2.31 -8.7 0.46 0
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218311 85089158 1 O3N5H17C26 A3B5C17D26 75.06 7.93 -9.23 -1.63 0
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218312 85089159 1 F3O3N7C18H28 A3B3C7D18E28 -195.22 5.08 -9.38 -1.42 0
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218313 85089160 1 F4N5C23H29 A4B5C23D29 -152.49 5.16 -8.88 -1.02 0
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218314 85089161 1 ON5C28H33 AB5C28D33 95.83 5.1 -8.26 -0.42 0
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218315 85089162 1 SN3O5C22H29 AB3C5D22E29 -168.58 3.98 -9.02 -0.6 0
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218316 85089164 3 NOC9H11 ABC9D11 -31.96 5.3 -9.15 0.06 0
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218317 85089165 1 O2N5C26H33 A2B5C26D33 -1.04 5.36 -9.1 -0.81 0
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218318 85089166 1 N3O4C25H41 A3B4C25D41 -223.87 5.29 -9.27 0.29 0
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218319 85089167 1 NSSiO4C23H33 ABCD4E23F33 -161.75 5.06 -8.75 -0.58 0
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218320 85089168 1 ClFO2N5C22H29 ABC2D5E22F29 -93.78 8.99 -8.6 -0.83 0
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218321 85089169 1 P3C8O15H19 A3B8C15D19 -856.64 5.82 -10.2 -0.1 0
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218322 85089170 1 IO5C18H25 AB5C18D25 -205.22 4.74 -9.7 -0.94 0
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218323 85089171 2 O5C11H12 A5B11C12 -406.3 3.34 -9.47 -1.03 0
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218324 85089173 1 N2O6H24C25 A2B6C24D25 -164.53 3.39 -9.12 -0.82 0
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218325 85089174 1 N2O6H24C25 A2B6C24D25 -156.48 4.48 -8.43 -0.72 0
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218326 85089175 1 NSSeO2C22H27 ABCD2E22F27 -28.02 6.21 -8.2 -0.31 0
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218327 85089179 1 O3N4C26H32 A3B4C26D32 -59.74 4.22 -9.26 -0.49 0
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218328 85089180 1 O4C29H36 A4B29C36 -138.48 2.59 -9.34 0.05 0
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218329 85089181 1 N2O3C28H36 A2B3C28D36 -134.02 3.81 -8.73 -0.28 0
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218330 85089182 1 SN2O6C21H40 AB2C6D21E40 -312.02 5.05 -9.14 0.02 0
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218331 85089183 1 O5C27H44 A5B27C44 -281.2 10.71 -9.18 -0.56 0
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218332 85089184 1 SiO4C26H44 AB4C26D44 -232.08 4.28 -8.77 0.42 2
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218334 85089186 1 INO2C21H26 ABC2D21E26 -51.76 2.44 -8.84 -1.0 0
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218335 85089187 1 N5O7C20H27 A5B7C20D27 -128.48 7.79 -9.99 -1.12 0
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218336 85089196 1 IO2C22H27 AB2C22D27 -53.65 2.07 -8.81 -0.78 0
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218337 85089198 1 O3N4H20C27 A3B4C20D27 71.72 6.47 -9.17 -2.12 0
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218338 85089200 1 O7C25H38 A7B25C38 -290.7 0.86 -8.75 -0.34 0
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218339 85089201 1 O5C28H34 A5B28C34 -152.24 3.12 -8.66 -0.01 0
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218340 85089203 2 SN2O2C10H13 AB2C2D10E13 -127.86 5.88 -9.06 -0.76 0
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218341 85089204 1 SSiO4C24H38 ABC4D24E38 -252.52 3.99 -8.82 -0.18 0
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218342 85089205 1 ClSO3N4C21H27 ABC3D4E21F27 -94.08 6.69 -8.36 -0.94 0
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218343 85089206 1 ClN2O2C27H31 AB2C2D27E31 -44.47 5.0 -9.02 -0.34 0
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218344 85089207 1 BrO7H19C20 AB7C19D20 -241.92 8.06 -8.57 -1.12 0
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218345 85089208 1 PN3O8C19H24 AB3C8D19E24 -366.62 6.94 -10.18 -0.64 0
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218346 85089209 1 PN5O7C18H22 AB5C7D18E22 -275.43 3.33 -9.4 -0.87 0
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218347 85089210 1 FN3O7C21H28 AB3C7D21E28 -337.76 1.97 -8.53 -0.28 0
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218348 85089211 1 SN3O8C19H21 AB3C8D19E21 -212.74 4.85 -9.14 -0.92 0
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218349 85089212 1 O4N7C22H27 A4B7C22D27 -86.03 5.64 -9.08 -0.79 0
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218350 85089213 1 SN5O6C19H25 AB5C6D19E25 -167.74 8.63 -9.29 -1.38 0
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218351 85089214 1 SN3O6C21H29 AB3C6D21E29 -277.52 5.44 -9.13 -0.59 0
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218352 85089215 1 SO2N7C22H29 AB2C7D22E29 8.13 3.24 -8.62 -0.42 0
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218353 85089216 1 NO5C27H33 AB5C27D33 -152.84 1.72 -8.3 -0.34 0