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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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237319 92718247 1 FN4O5H17C19 AB4C5D17E19 -129.97 7.15 -9.2 -1.4 0
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237320 92718254 1 FN3O3C16H20 AB3C3D16E20 -160.15 4.52 -8.98 -0.28 0
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237321 92718281 1 FN4O4H23C26 AB4C4D23E26 -100.56 6.84 -9.01 -0.74 0
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237322 92718284 1 BrFN3O3H19C20 ABC3D3E19F20 -126.53 1.6 -9.18 -0.48 0
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237323 92718287 1 FCl2N3O3H18C20 AB2C3D3E18F20 -144.8 2.91 -9.15 -0.72 0
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237324 92718376 1 SO3N4C15H18 AB3C4D15E18 -65.26 8.35 -9.48 -0.91 0
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237325 92718387 2 NC10H10 AB10C10 77.8 0.98 -9.04 -0.12 0
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237326 92718402 1 ON2C19H26 AB2C19D26 -22.57 2.32 -8.32 -0.2 0
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237327 92718473 1 NOH19C20 ABC19D20 20.85 0.94 -8.16 0.09 0
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237328 92718536 1 NO4H15C17 AB4C15D17 -128.85 9.14 -9.02 -0.67 0
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237329 92718575 1 O2N3H13C17 A2B3C13D17 1.85 4.78 -9.27 -1.34 0
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237330 92718607 2 NO2H7C8 AB2C7D8 -88.57 2.17 -8.56 -0.36 0
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237331 92718609 1 N3O3H13C16 A3B3C13D16 -61.54 6.39 -9.73 -1.52 0
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237332 92718707 2 NH9C10 AB9C10 69.16 2.52 -8.36 -0.38 0
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237333 92718729 1 N2O3C17H20 A2B3C17D20 -21.11 4.83 -8.84 -1.22 0
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237334 92718742 1 N2O3C17H18 A2B3C17D18 -14.35 3.65 -8.94 -1.24 0
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237335 92718743 1 N2O3C17H18 A2B3C17D18 -14.34 6.24 -9.13 -1.06 0
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237336 92718745 1 N2O3C17H20 A2B3C17D20 -22.75 5.88 -8.65 -1.22 0
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237337 92718750 2 NOC9H11 ABC9D11 5.87 4.53 -9.36 -0.93 0
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237338 92718754 2 NOH8C9 ABC8D9 50.84 4.99 -8.99 -1.32 0
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237339 92718758 2 NOC9H12 ABC9D12 -21.66 5.52 -9.66 -1.3 0
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237340 92718760 2 NO2C8H8 AB2C8D8 -39.63 5.99 -8.82 -1.35 0
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237341 92718774 1 N2O3C17H18 A2B3C17D18 -68.11 4.3 -8.48 -0.14 0
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237342 92718778 1 ON2C19H24 AB2C19D24 -47.97 4.92 -8.73 -0.04 0
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237343 92718784 1 N2O3H16C17 A2B3C16D17 -67.42 1.24 -8.78 -0.42 0
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237344 92718788 2 NOC9H10 ABC9D10 -45.34 4.51 -8.81 -0.12 0
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237345 92718789 1 NO2C19H25 AB2C19D25 -56.44 3.85 -8.75 0.18 0
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237346 92718795 1 NO2C19H25 AB2C19D25 -49.26 2.7 -8.17 0.24 0
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237347 92718808 1 NO2C19H25 AB2C19D25 -59.81 2.61 -8.88 0.23 0
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237348 92718828 1 N2O3C17H20 A2B3C17D20 -19.12 5.62 -8.77 -1.33 0
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237349 92718829 2 NOC9H10 ABC9D10 17.1 5.42 -9.23 -1.1 0
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237350 92718843 1 N2O3C17H20 A2B3C17D20 -21.89 5.25 -8.9 -1.27 0
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237351 92718849 1 N2O3C17H20 A2B3C17D20 -20.12 7.79 -8.81 -1.33 0
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237352 92718853 2 NOC9H11 ABC9D11 12.03 6.43 -9.35 -1.08 0
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237353 92718857 1 N2O3C17H18 A2B3C17D18 -14.49 7.43 -9.04 -1.13 0
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237354 92718861 2 NOC9H10 ABC9D10 13.63 6.62 -9.21 -1.1 0
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237355 92718862 2 NOC9H10 ABC9D10 13.66 6.05 -9.06 -1.26 0
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237356 92718863 1 NO2C19H25 AB2C19D25 -49.43 1.44 -8.35 0.15 0
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237357 92718864 1 NO2C19H25 AB2C19D25 -49.2 2.23 -8.19 0.23 0
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237358 92718867 1 NO2C19H23 AB2C19D23 -43.98 2.77 -8.19 0.27 0
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237359 92718870 1 NO2C19H23 AB2C19D23 -53.74 1.56 -8.9 0.22 0
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237360 92718873 1 NO2C19H21 AB2C19D21 -40.56 1.1 -8.69 0.17 0
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237361 92718880 1 NOC20H21 ABC20D21 14.83 1.86 -8.81 -0.34 0
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237362 92718884 1 NOC20H29 ABC20D29 -56.71 1.49 -9.15 0.21 0
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237363 92718885 1 NO3C18H21 AB3C18D21 -70.22 0.8 -8.88 0.01 0
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237364 92718886 1 NO3C18H21 AB3C18D21 -75.08 2.89 -8.68 0.0 0
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237365 92718889 1 NO2C19H25 AB2C19D25 -53.04 2.48 -8.66 0.23 0
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237366 92718890 1 NO2C19H25 AB2C19D25 -54.0 2.31 -8.55 0.14 0
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237367 92718892 1 NO2C19H23 AB2C19D23 -54.22 2.91 -8.52 0.18 0
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237368 92718895 2 NOH8C9 ABC8D9 50.97 7.51 -9.2 -1.2 0