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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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412272 135085157 1 O6C25H38 A6B25C38 -300.02 3.15 -8.42 0.34 -1
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412273 135085158 1 NSiO2C24H26 ABC2D24E26 -33.83 2.85 0.0 0.0 0
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412274 135085159 1 NSiO2C24H27 ABC2D24E27 -58.83 6.18 -8.09 -0.12 0
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412275 135085160 1 NOSiC22H31 ABCD22E31 -96.34 1.98 -8.68 0.38 -1
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412276 135085161 1 AuClN2C18H19 ABC2D18E19 113.34 13.4 0.0 0.0 0
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412277 135085162 1 CuIN2C16H16 ABC2D16E16 117.79 3.0 -9.19 -0.14 0
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412278 135085163 1 BrN2O2C27H31 AB2C2D27E31 21.44 21.81 -6.53 -1.52 0
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412279 135085164 1 BrN3O3C26H28 AB3C3D26E28 34.65 14.03 -7.9 -1.76 1
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412280 135085165 1 N3O3C26H28 A3B3C26D28 48.38 6.65 0.0 0.0 0
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412281 135085166 1 OBr2N2C26H28 AB2C2D26E28 36.79 13.36 -8.71 -1.15 1
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412282 135085167 1 BrON2C26H28 ABC2D26E28 54.97 3.87 0.0 0.0 0
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412283 135085168 1 BrOF2N2C26H27 ABC2D2E26F27 -39.14 20.55 -6.76 -1.85 1
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412284 135085169 1 OF2N2C26H27 AB2C2D26E27 -43.03 4.2 0.0 0.0 0
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412285 135085170 1 BrOF2N2C26H27 ABC2D2E26F27 -58.12 12.09 -7.96 -0.95 1
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412286 135085171 1 OF2N2C26H27 AB2C2D26E27 -42.46 2.29 0.0 0.0 0
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412287 135085172 1 BrOF2N2C26H27 ABC2D2E26F27 -36.02 21.44 -6.68 -1.78 1
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412288 135085173 1 OF2N2C26H27 AB2C2D26E27 -39.88 2.31 0.0 0.0 0
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412289 135085174 1 BrON2F4H25C26 ABC2D4E25F26 -139.46 14.01 -8.06 -1.12 1
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412290 135085175 1 ON2F4H25C26 AB2C4D25E26 -119.17 7.09 0.0 0.0 0
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412291 135085176 1 BrON2F5H24C26 ABC2D5E24F26 -160.42 19.91 -6.81 -2.6 1
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412292 135085177 1 ON2F5H24C26 AB2C5D24E26 -162.37 10.05 0.0 0.0 0
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412293 135085178 1 BrFON2C29H32 ABCD2E29F32 5.09 10.36 -8.1 -0.78 1
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412294 135085179 1 FON2C29H32 ABC2D29E32 27.77 4.23 0.0 0.0 0
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412295 135085180 1 BrOF2N2C29H31 ABC2D2E29F31 -20.06 11.28 -8.12 -0.94 1
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412296 135085181 1 OF2N2C29H31 AB2C2D29E31 -17.15 5.26 0.0 0.0 0
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412297 135085182 1 BrFN2O2C27H32 ABC2D2E27F32 -69.18 17.35 -7.3 -1.35 0
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412298 135085183 1 BrFON2C26H28 ABCD2E26F28 -6.95 13.04 -7.57 -1.68 1
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412299 135085184 1 FON2C26H28 ABC2D26E28 4.73 3.14 0.0 0.0 0
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412300 135085185 1 BrFON2C26H28 ABCD2E26F28 -6.25 14.02 -7.53 -1.68 1
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412301 135085186 1 FON2C26H28 ABC2D26E28 5.58 3.83 0.0 0.0 0
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412302 135085187 1 BrON2C27H31 ABC2D27E31 23.59 16.72 -8.3 -0.95 1
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412303 135085188 1 ON2C27H31 AB2C27D31 41.85 1.78 0.0 0.0 0
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412304 135085189 1 BrN2O2C27H31 AB2C2D27E31 -10.68 13.58 -8.03 -0.75 1
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412305 135085190 1 N2O2C27H31 A2B2C27D31 11.86 2.13 0.0 0.0 6
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412307 135085192 1 AlLiNC12H27 ABCD12E27 -94.52 5.21 -8.51 2.5 -1
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412308 135085193 1 AlNC12H27 ABC12D27 -49.16 5.93 0.0 0.0 0
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412309 135085194 1 NO4C15H23 AB4C15D23 -207.27 1.68 -8.52 -0.34 0
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412310 135085195 1 PO2Si2C10H23 AB2C2D10E23 -274.38 4.1 -7.66 0.68 1
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412311 135085196 1 ClNC8H9 ABC8D9 14.66 3.87 0.0 0.0 0
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412312 135085197 1 SC12H12 AB12C12 79.04 1.66 -8.03 -0.36 0
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412313 135085198 1 AgO2C10H13 AB2C10D13 -35.2 16.89 -8.83 -3.47 0
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412314 135085199 1 O3H14C15 A3B14C15 -51.32 2.21 -9.4 -0.57 0
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412315 135085200 1 NH9C12 AB9C12 117.33 3.53 -9.55 -0.46 0
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412316 135085201 2 SC8H10 AB8C10 39.31 1.3 -8.8 -0.17 0
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412317 135085202 1 ClN2O2H9C12 AB2C2D9E12 37.72 2.5 -10.15 -1.32 0
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412318 135085205 1 AlClN2O2H58C64 ABC2D2E58F64 -31.38 4.41 -7.45 -1.4 1
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412320 135085209 1 AlNSO3F12H24C43 ABCD3E12F24G43 -669.43 3.57 -8.85 -1.6 0
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412321 135085210 1 AlS2N4F6O6C20H29 AB2C4D6E6F20G29 -534.45 8.5 -10.08 -1.77 0
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412322 135085211 2 PdO2F3H10C11 AB2C3D10E11 -332.53 3.31 -7.46 -0.69 0
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412323 135085212 1 FeNOSiC23H42 ABCDE23F42 56.39 4.74 0.0 0.0 0
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412325 135085215 1 FeN2H48C49 AB2C48D49 346.07 7.27 -7.72 -0.87 0
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412326 135085216 1 ClNSC16H22 ABCD16E22 41.44 14.66 -7.28 -1.95 2
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412328 135085218 1 TiO2H20C22 AB2C20D22 -27.85 1.51 -7.68 -1.07 0
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412329 135085219 1 ClRuSN2O2C31H34 ABCD2E2F31G34 127.15 6.21 0.0 0.0 -4
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412332 135085222 1 NiI2P2H36C40 AB2C2D36E40 84.35 7.07 -7.12 -0.7 -5
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412335 135085225 1 SiC20H30 AB20C30 -14.58 1.82 -7.72 -0.17 0
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412336 135085226 2 NOC6H12 ABC6D12 -100.8 1.53 -7.44 0.95 -2
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412337 135085227 4 C6H7 A6B7 63.76 0.44 -7.98 -1.14 -4
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412339 135085229 1 N2O2H30C31 A2B2C30D31 19.12 2.93 -9.22 -0.04 0
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412341 135085231 1 YN2P2Si2C32H42 AB2C2D2E32F42 28.97 4.58 0.0 0.0 1
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412345 135085235 1 AuClOP2H34C39 ABCD2E34F39 156.12 34.07 -5.76 -1.59 0
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412346 135085236 1 OPtSi2C8H20 ABC2D8E20 -61.39 3.16 -8.94 -0.58 0
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412347 135085237 1 P2O7C59H78 A2B7C59D78 -261.08 2.97 -8.33 0.0 1
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412348 135085238 1 N2O6C15H29 A2B6C15D29 -232.84 3.79 0.0 0.0 0
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412349 135085239 1 SF3N3C24H24 AB3C3D24E24 -71.83 8.89 -8.68 -0.66 1
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412350 135085240 1 ON3C13H16 AB3C13D16 34.4 2.56 0.0 0.0 0
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412351 135085241 1 TiN6C26H34 AB6C26D34 75.07 18.23 -7.27 -1.46 0
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412352 135085242 1 O2N4F6H34C39 A2B4C6D34E39 -274.24 3.34 -8.91 -1.77 0
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412353 135085243 1 ClON4C25H25 ABC4D25E25 46.18 3.15 -9.08 -1.06 0
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412354 135085244 1 Br2N4O4C25H30 A2B4C4D25E30 -57.1 9.44 -8.75 -0.45 0
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412355 135085245 1 SN2O5C34H38 AB2C5D34E38 -126.0 1.48 -9.47 0.09 0
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412356 135085246 2 NNiO2H12C14 ABC2D12E14 142.41 4.42 -7.63 -3.74 4
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412357 135085247 2 NNiO2H12C14 ABC2D12E14 -45.92 6.47 -5.28 -1.52 2
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412358 135085248 1 ON3C20H29 AB3C20D29 -0.27 10.29 -6.69 0.22 -1
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412360 135085250 1 PRuO2N3C33H35 ABC2D3E33F35 220.18 29.76 0.0 0.0 1
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412361 135085251 1 ClNPRuC20H21 ABCDE20F21 100.17 23.54 -6.73 -1.28 3
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412363 135085253 1 FeS2F6N6O6C26H36 AB2C6D6E6F26G36 -496.81 6.47 -8.14 -2.28 -1
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412365 135085255 1 IrOP2C20H38 ABC2D20E38 -43.47 19.8 0.0 0.0 0
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412366 135085256 1 FeS2N4F6O6C30H32 AB2C4D6E6F30G32 -480.71 5.94 -8.08 -1.49 0
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412367 135085257 4 NC7H8 AB7C8 85.29 3.02 -8.07 -0.47 3
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412368 135085258 1 MnN2O2C28H38 AB2C2D28E38 -7.95 4.14 0.0 0.0 0
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412369 135085259 1 PdO2P2H10 AB2C2D10 -27.78 1.95 -7.35 1.14 0
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412370 135085260 1 NYSi2C8H24 ABC2D8E24 -189.68 4.31 -7.85 -0.13 0
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412371 135085261 1 AlLiNC15H33 ABCD15E33 -67.17 6.84 -7.17 3.2 -1
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412372 135085262 1 AlNC15H33 ABC15D33 -67.97 5.86 0.0 0.0 0
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412373 135085263 1 OC14H22 AB14C22 -28.33 1.25 -9.39 1.02 0
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412374 135085265 1 IOC13H15 ABC13D15 18.52 2.2 -9.07 -1.07 0
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412375 135085266 1 ON2H14C15 AB2C14D15 21.9 5.86 -9.47 -0.66 1
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412376 135085267 1 ClN2H10C12 AB2C10D12 55.22 4.53 0.0 0.0 0
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412377 135085268 1 NOH13C14 ABC13D14 13.54 6.15 -8.68 -0.67 0
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412378 135085269 1 NO4C8H9 AB4C8D9 -91.12 4.29 -9.7 -0.63 0
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412379 135085270 1 NaN2O2C19H21 AB2C2D19E21 -0.07 23.08 -6.38 -1.02 0
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412380 135085271 2 RhC2O2H4 AB2C2D4 -201.57 8.61 -9.1 -4.82 0
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412381 135085272 1 BON3F4C22H24 ABC3D4E22F24 -312.92 11.89 -9.68 -1.29 -1
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412383 135085274 1 OPN3C15H18 ABC3D15E18 -59.5 5.26 -8.73 -0.46 0
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412384 135085275 1 ClON3F6H14C20 ABC3D6E14F20 -241.88 11.46 -7.22 -2.74 0
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412385 135085276 1 BOSiN3F4C29H34 ABCD3E4F29G34 -337.39 12.71 -9.26 -1.28 1
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412386 135085277 1 OSiN3C29H34 ABC3D29E34 27.28 2.46 0.0 0.0 0
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412388 135085279 1 RuS2F3N3O4C33H36 AB2C3D3E4F33G36 -92.48 14.44 -7.91 -2.51 0
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412389 135085280 1 NOC20H29 ABC20D29 -39.26 1.38 -9.1 0.52 3