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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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441127 135233234 1 ClF3O3N5H29C30 AB3C3D5E29F30 -166.23 7.67 -9.51 -1.02 0
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441128 135233239 1 NO4C15H21 AB4C15D21 -169.74 3.3 -8.53 -0.93 0
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441129 135233249 1 ClF2O4N5H24C30 AB2C4D5E24F30 -88.61 10.11 -9.65 -1.0 0
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441130 135233252 1 ClF2O3N7H30C32 AB2C3D7E30F32 -115.48 7.79 -9.05 -0.95 0
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441131 135233254 1 N6H10C13 A6B10C13 169.39 1.28 -9.61 -1.68 0
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441132 135233257 1 OF2N6H16C19 AB2C6D16E19 -21.43 2.97 -9.2 -0.94 0
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441133 135233258 1 NO7C34H45 AB7C34D45 -303.03 4.64 -8.68 -1.01 0
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441134 135233259 1 NO3C16H25 AB3C16D25 -108.68 4.06 -8.5 -0.58 0
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441135 135233268 1 F2O2N5C21H23 A2B2C5D21E23 -52.27 4.21 -8.23 -0.54 0
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441136 135233271 1 O2N5C21H29 A2B5C21D29 -30.41 7.09 -8.12 -0.7 0
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441137 135233274 1 O3N6C22H28 A3B6C22D28 41.04 8.15 -8.35 -0.55 0
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441138 135233277 1 NO6C31H45 AB6C31D45 -289.15 3.19 -8.93 -0.5 0
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441139 135233279 2 ON3C11H16 AB3C11D16 -45.88 6.08 -8.61 -0.33 0
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441140 135233280 1 NF3O6C29H36 AB3C6D29E36 -432.81 8.15 -9.07 -1.02 0
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441141 135233284 1 NO2C20H29 AB2C20D29 -65.79 3.08 -8.24 -0.59 0
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441142 135233285 1 O2N5C24H31 A2B5C24D31 -53.83 3.64 -8.65 -0.36 0
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441143 135233288 1 ON2C19H26 AB2C19D26 9.76 4.33 -8.45 -0.99 0
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441144 135233289 2 SN2O3H23C37 AB2C3D23E37 131.65 6.49 -8.45 -1.86 0
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441145 135233290 1 SO4C10H12 AB4C10D12 -171.04 3.57 -9.24 -1.09 0
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441146 135233292 1 ON5C26H39 AB5C26D39 -37.1 7.57 -8.21 -0.04 0
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441147 135233298 1 NO6C17H23 AB6C17D23 -249.39 7.52 -9.36 -0.89 0
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441148 135233308 1 O3N5C22H31 A3B5C22D31 -14.49 6.77 -8.42 -0.68 0
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441149 135233309 1 SC14H16 AB14C16 29.43 1.44 -8.51 -0.63 0
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441150 135233349 1 ClO4N6C30H39 AB4C6D30E39 -130.1 4.34 -8.69 -0.8 0
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441151 135233350 1 O2N3C16H23 A2B3C16D23 -59.25 4.88 -8.7 -0.44 1
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441152 135233352 1 OPN6C26H38 ABC6D26E38 0.46 15.51 0.0 0.0 0
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441153 135233353 1 NO2C21H31 AB2C21D31 -78.59 5.28 -8.2 -0.54 0
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441154 135233355 1 OSN4C24H36 ABC4D24E36 -32.83 5.18 -8.17 -0.43 0
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441155 135233356 1 NSO4C27H37 ABC4D27E37 -150.06 4.7 -8.36 -0.96 0
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441156 135233359 1 O2N8C23H36 A2B8C23D36 0.95 3.99 -8.6 -0.66 0
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441157 135233361 1 ON6C24H38 AB6C24D38 -42.27 2.31 -7.98 0.09 0
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441158 135233364 1 NC21H33 AB21C33 2.33 2.71 -8.11 0.38 0
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441159 135233372 1 O2N5C26H41 A2B5C26D41 -59.32 4.38 -8.03 -0.28 0
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441160 135233373 1 NO4C17H27 AB4C17D27 -157.59 5.72 -8.41 -0.41 0
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441161 135233374 1 O3N6C20H28 A3B6C20D28 -0.31 6.49 -8.58 -0.61 0
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441162 135233375 1 F2N5H17C19 A2B5C17D19 0.39 1.74 -8.81 -0.74 0
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441163 135233376 1 OSN7C24H25 ABC7D24E25 110.21 4.64 -8.24 -0.9 0
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441164 135233389 1 N2C21H32 A2B21C32 25.53 4.3 -7.87 0.18 0
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441165 135233392 1 SN2O5C27H36 AB2C5D27E36 -201.85 6.94 -8.44 -0.55 0
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441166 135233393 1 N2O5C19H28 A2B5C19D28 -229.35 6.12 -9.28 -0.54 0
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441167 135233398 1 SF2N6H10C16 AB2C6D10E16 75.69 3.04 -9.28 -1.85 0
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441168 135233401 1 ON5C28H39 AB5C28D39 -22.4 6.59 -8.04 -0.1 0
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441169 135233402 1 F2N8H12C17 A2B8C12D17 79.13 2.52 -9.1 -1.87 0
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441170 135233403 1 O3N6C23H34 A3B6C23D34 -25.21 3.49 -8.48 -0.54 0
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441171 135233405 1 F2N7H11C17 A2B7C11D17 83.42 5.91 -9.87 -1.9 0
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441172 135233409 1 F3N7H10C17 A3B7C10D17 36.0 4.09 -9.64 -1.83 0
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441173 135233411 1 N2O6C31H40 A2B6C31D40 -244.88 6.96 -8.49 -0.64 0
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441174 135233416 1 OF2N7H15C19 AB2C7D15E19 17.44 6.52 -9.43 -1.58 0
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441175 135233422 1 NO2C22H35 AB2C22D35 -72.45 2.65 -8.87 0.54 0
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441176 135233444 1 SO3N4C26H38 AB3C4D26E38 -97.12 3.83 -7.89 -1.27 0
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441177 135233472 1 NC18H27 AB18C27 27.85 2.18 -8.32 0.08 0
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441178 135233473 2 FN3C11H12 AB3C11D12 -9.61 3.76 -8.5 -0.63 0
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441179 135233474 1 OF2N6H18C20 AB2C6D18E20 -34.98 4.72 -8.65 -0.59 0
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441180 135233476 1 N6H12C13 A6B12C13 134.02 2.83 -9.55 -1.59 0
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441181 135233477 1 NSO6C25H33 ABC6D25E33 -256.88 3.12 -8.93 -1.06 0
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441182 135233486 1 NO7C26H35 AB7C26D35 -283.74 4.83 -8.57 -0.91 0
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441183 135233488 1 O3N6C22H30 A3B6C22D30 -24.07 1.38 -8.41 -0.5 0
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441184 135233489 1 NC31H51 AB31C51 -14.78 2.22 -8.31 0.12 0
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441185 135233498 1 O2N5C26H43 A2B5C26D43 -119.15 6.7 -8.33 0.01 0
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441186 135233502 1 N5H35C49 A5B35C49 359.43 4.1 -8.02 -0.73 0
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441187 135233508 2 NC11H13 AB11C13 78.23 3.78 -8.66 0.07 0
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441188 135233509 1 FN6H15C19 AB6C15D19 97.22 3.57 -9.15 -1.16 0
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441189 135233511 1 F3N6H17C21 A3B6C17D21 -28.05 5.57 -9.19 -1.22 0
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441190 135233515 1 ON6C28H40 AB6C28D40 -24.15 4.83 -8.2 0.01 0
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441191 135233517 1 NC17H23 AB17C23 21.42 1.76 -7.85 0.11 0
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441192 135233519 1 ON7H15C17 AB7C15D17 156.15 0.93 -9.06 -1.13 0
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441193 135233521 1 N3H35C53 A3B35C53 237.74 1.74 -7.86 -0.9 0
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441194 135233527 1 N3H35C51 A3B35C51 226.19 3.06 -7.99 -0.96 0
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441195 135233528 1 N2H42C53 A2B42C53 179.66 2.2 -8.03 -0.58 0
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441196 135233531 1 NH21C32 AB21C32 138.71 2.41 -8.1 -0.82 0
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441197 135233533 1 O2N4C29H44 A2B4C29D44 -83.53 5.07 -7.93 0.25 0
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441198 135233538 1 N5H31C46 A5B31C46 256.49 4.12 -8.82 -1.22 0
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441200 135233587 1 ON3H29C51 AB3C29D51 400.77 5.28 -8.55 -1.17 0
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441201 135233598 1 SO2N4C20H36 AB2C4D20E36 -106.21 4.98 -8.06 0.22 0
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441202 135233603 1 NO6C17H23 AB6C17D23 -248.39 6.21 -9.43 -1.25 0