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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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220350 85177323 1 OCl2C12H16 AB2C12D16 -81.41 5.04 -10.11 0.43 0
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220351 85177324 1 FN3O4C9H16 AB3C4D9E16 -226.75 3.1 -9.82 -0.4 0
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220352 85177325 1 NO6C10H17 AB6C10D17 -216.68 6.03 -11.14 -0.85 0
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220353 85177326 1 NO5C11H21 AB5C11D21 -252.3 1.57 -9.87 1.05 0
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220354 85177327 1 NO3C14H17 AB3C14D17 -85.15 3.32 -8.67 -0.01 0
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220355 85177328 1 NO2C15H21 AB2C15D21 -87.69 2.21 -9.54 0.23 0
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220356 85177329 1 NO2C15H21 AB2C15D21 -60.85 3.24 -9.38 0.32 0
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220357 85177330 1 NH17C18 AB17C18 70.49 1.17 -7.5 -0.21 0
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220358 85177334 1 FN2O3C12H13 AB2C3D12E13 -152.37 5.18 -10.13 -0.55 0
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220359 85177340 2 O2C7H8 A2B7C8 -148.93 4.66 -9.02 0.06 0
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220360 85177445 1 BrClO2C8H10 ABC2D8E10 -93.9 4.72 -9.96 -0.23 0
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220361 85177469 1 SiO3C13H22 AB3C13D22 -166.5 6.12 -9.12 -1.06 0
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220362 85177516 1 N3O5C10H15 A3B5C10D15 -194.34 5.97 -9.13 -0.24 0
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220363 85177523 1 NO2C16H19 AB2C16D19 -32.53 3.27 -9.16 -0.3 0
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220364 85177563 1 NO5C12H21 AB5C12D21 -257.07 2.0 -9.76 0.23 0
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220365 85177600 1 OC18H28 AB18C28 -56.07 3.96 -9.64 0.95 1
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220366 85177630 1 ON4H11C15 AB4C11D15 85.89 2.75 0.0 0.0 0
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220368 85182178 1 O4C29H50 A4B29C50 -230.8 1.89 -9.44 1.3 0
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220369 85182213 1 SiO3C29H40 AB3C29D40 -147.43 3.56 -8.93 -0.11 0
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220370 85182214 1 SiO3C29H40 AB3C29D40 -179.87 3.08 -8.92 0.19 0
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220371 85182215 1 SSiN2O5C21H44 ABC2D5E21F44 -321.3 5.59 -8.44 0.39 0
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220372 85182216 1 ClSO5H23C25 ABC5D23E25 -143.52 8.68 -9.64 -1.08 0
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220373 85182219 1 N5O8C20H27 A5B8C20D27 -222.17 7.4 -8.29 -2.26 0
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220374 85182223 1 NO6C27H31 AB6C27D31 -168.97 3.13 -9.36 -0.87 0
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220375 85182231 1 O12C21H22 A12B21C22 -457.37 7.01 -9.29 -1.42 0