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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
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220376 85182241 1 SiO5C26H46 AB5C26D46 -335.5 2.99 -8.9 0.18 0
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220377 85182250 1 NO11C20H37 AB11C20D37 -527.66 5.63 -9.94 0.67 0
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220379 85182273 1 NSO6C25H27 ABC6D25E27 -194.42 5.24 -8.69 -0.73 0
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220380 85182289 2 O4C13H15 A4B13C15 -257.15 1.94 -8.48 -0.73 0
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220381 85182290 1 N2O5H26C28 A2B5C26D28 -113.51 5.58 -8.4 -0.56 0
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220382 85182291 2 N2O3C12H15 A2B3C12D15 -243.83 5.31 -9.22 -0.19 0
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220383 85182293 2 NO3C13H17 AB3C13D17 -250.04 2.05 -9.63 -0.09 0
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220384 85182294 1 O4C31H34 A4B31C34 -59.35 3.97 -9.17 -0.06 0
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220385 85182304 1 O3N4C25H34 A3B4C25D34 -111.42 3.55 -9.08 -0.13 0
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220386 85182322 1 N2O10C21H32 A2B10C21D32 -478.18 4.15 -9.72 0.24 0
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220387 85182327 1 SN2O6C24H28 AB2C6D24E28 -225.29 6.86 -8.64 -0.77 0
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220388 85182331 1 N4O5C25H36 A4B5C25D36 -233.86 3.84 -9.54 0.1 0
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220389 85182338 1 SiO5C26H52 AB5C26D52 -360.56 3.55 -8.83 0.66 0
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220391 85182343 1 N2O2C24H25 A2B2C24D25 36.63 2.04 0.0 0.0 0
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220392 85182344 1 NSO9H19C22 ABC9D19E22 -312.44 11.9 -9.44 -1.78 0
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220394 85182349 1 N3O3C29H35 A3B3C29D35 -40.4 2.05 -9.13 -1.26 0
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220395 85182355 1 N2O6H26C27 A2B6C26D27 -157.07 4.27 -8.47 -0.29 0
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220397 85182373 2 ClN2O2H10C11 AB2C2D10E11 -119.99 5.09 -9.02 -1.54 0
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220398 85182397 1 O3N4H24C29 A3B4C24D29 37.48 4.78 -9.01 -0.7 0
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220399 85182398 1 SN2O7C23H28 AB2C7D23E28 -234.72 9.59 -8.5 -1.06 0
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220400 85182401 2 O4C13H18 A4B13C18 -362.83 1.83 -9.57 0.3 0
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220401 85182412 1 ClN4H25C30 AB4C25D30 131.05 3.12 -8.09 -0.54 0
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220402 85182413 1 SnC26H46 AB26C46 -28.58 0.56 -9.19 0.47 0
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220403 85182415 1 NO9C24H31 AB9C24D31 -383.32 3.95 -8.55 -0.16 0
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220405 85182426 1 NO4C29H51 AB4C29D51 -241.89 10.49 -8.41 0.34 0
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220406 85182433 2 O6C11H11 A6B11C11 -424.41 8.72 -8.92 -1.0 1
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220407 85182438 1 S2O5N8C17H19 A2B5C8D17E19 -15.61 1.73 0.0 0.0 0
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220408 85182443 1 O5C30H38 A5B30C38 -144.74 2.78 -9.28 0.32 0
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220409 85182446 2 O3C14H23 A3B14C23 -315.55 4.45 -10.04 0.4 0
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220410 85182447 2 O3C14H23 A3B14C23 -313.24 7.36 -10.19 0.63 0
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220411 85182448 1 SiO6C26H42 AB6C26D42 -308.15 3.39 -8.67 0.05 0
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220412 85182450 1 BrClNO3C23H25 ABCD3E23F25 -91.15 6.06 -9.05 -0.49 0
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220413 85182451 1 Si2O6C23H50 A2B6C23D50 -445.45 2.17 -8.74 0.4 0
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220414 85182455 1 F3N3O3H20C26 A3B3C3D20E26 -120.56 5.95 -9.13 -0.88 0
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220415 85189516 1 N2O4C21H24 A2B4C21D24 -98.43 2.84 -8.62 0.2 0
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220416 85189536 1 N5O6C15H23 A5B6C15D23 -176.64 4.12 -9.52 -1.01 0
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220417 85189537 1 O4N5C18H19 A4B5C18D19 -73.72 3.06 -8.93 -0.36 0
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220418 85189538 1 NO5C21H23 AB5C21D23 -133.09 2.82 -9.71 -0.09 0
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220419 85189539 1 NO5C21H31 AB5C21D31 -187.6 3.14 -8.36 0.14 0
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220420 85189540 1 O2N3H19C23 A2B3C19D23 25.09 1.88 -8.54 -0.9 1
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220421 85189541 1 ON5H20C22 AB5C20D22 104.02 4.59 0.0 0.0 0
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220422 85189542 1 NSO6C17H23 ABC6D17E23 -229.89 6.35 -9.81 -0.78 0
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220423 85189543 1 NO4C22H27 AB4C22D27 -155.22 0.96 -9.4 0.01 0
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220424 85189544 1 NO2H23C25 AB2C23D25 -15.98 1.79 -8.81 -0.59 0
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220425 85189545 3 NOC7H9 ABC7D9 -97.18 3.63 -9.72 -0.08 0
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220426 85189546 1 ON3H23C24 AB3C23D24 52.43 2.9 -9.01 -0.32 0
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220427 85189547 1 O2N5C20H27 A2B5C20D27 -13.03 3.85 -8.89 -0.35 0
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220430 85189550 1 NO3C23H31 AB3C23D31 -126.83 4.05 -9.39 0.09 0
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220431 85189551 1 NO3C23H31 AB3C23D31 -125.02 5.89 -9.21 0.33 0
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220432 85189552 1 NO3C23H31 AB3C23D31 -99.73 3.18 -9.31 -0.18 0