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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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220324 85177297 1 NO5C11H19 AB5C11D19 -219.8 5.63 -9.84 0.61 0
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220325 85177298 1 NO3C14H15 AB3C14D15 -97.12 5.6 -9.44 -0.31 0
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220326 85177299 1 NO3C14H15 AB3C14D15 -13.84 3.63 -9.14 -0.63 0
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220328 85177301 1 NO4C12H23 AB4C12D23 -230.53 5.91 -10.08 0.44 0
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220329 85177302 1 NO2C15H19 AB2C15D19 -85.93 4.09 -9.45 0.14 0
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220330 85177303 1 NO2C15H19 AB2C15D19 -28.21 4.53 -8.87 -0.7 0
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220331 85177304 1 NO2C15H19 AB2C15D19 -73.15 4.92 -8.7 0.09 0
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220332 85177305 1 NOC16H23 ABC16D23 -21.01 1.67 -8.75 0.32 0
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220333 85177306 1 NOC16H23 ABC16D23 -10.36 3.02 -8.81 0.45 0
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220334 85177307 1 ClNO2C12H20 ABC2D12E20 -142.42 4.0 -9.59 0.61 0
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220335 85177308 1 ClNC14H28 ABC14D28 -27.6 2.73 -9.21 0.3 0
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220336 85177309 1 OF6H8C9 AB6C8D9 -342.95 4.0 -11.02 -1.16 0
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220337 85177310 1 SN2O5C8H12 AB2C5D8E12 -183.85 5.78 -9.18 -0.71 0
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220338 85177311 1 N2O3C13H18 A2B3C13D18 -89.07 5.02 -8.85 0.02 0
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220339 85177312 1 ON6C11H14 AB6C11D14 61.68 7.46 -9.26 -0.9 0
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220340 85177313 1 SN2O2H10C12 AB2C2D10E12 42.9 4.79 -9.23 -1.34 0
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220341 85177314 1 O5C12H22 A5B12C22 -242.44 4.95 -9.9 0.48 0
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220342 85177315 3 OC5H6 AB5C6 -108.33 2.96 -9.5 0.22 0
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220343 85177316 3 OC5H6 AB5C6 -106.9 2.05 -9.46 0.26 0
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220344 85177317 2 OC8H11 AB8C11 -99.56 3.29 -8.61 0.37 0
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220345 85177318 2 OC8H11 AB8C11 -69.16 3.73 -9.0 0.26 0
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220346 85177319 1 SiO4C11H22 AB4C11D22 -210.23 3.45 -9.63 0.25 0
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220347 85177320 1 OC17H26 AB17C26 -11.59 2.88 -9.56 0.71 0
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220348 85177321 1 ClIO2C4H4 ABC2D4E4 -59.09 2.39 -9.98 -1.2 0
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220349 85177322 1 SiO2C13H30 AB2C13D30 -197.41 1.68 -8.76 1.35 0
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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