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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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315873 126629223 2 NO2C22H35 AB2C22D35 -208.55 1.43 -9.32 -1.52 0
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315874 126629226 1 O5N6C33H46 A5B6C33D46 -172.93 10.83 -8.87 -1.02 0
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315875 126629227 1 O5N6C34H46 A5B6C34D46 -182.1 6.16 -8.68 -0.84 0
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315876 126629228 1 SCl2N2H12C13 AB2C2D12E13 25.99 1.0 -8.51 -0.5 0
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315879 126629237 1 ClN5O5C31H42 AB5C5D31E42 -202.74 3.28 -9.07 -0.92 0
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315880 126629243 1 O2N3H11C12 A2B3C11D12 -2.26 4.16 -8.59 -0.62 0
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315881 126629245 1 OSN2F4C21H22 ABC2D4E21F22 -201.45 5.14 -8.74 -0.58 0
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315882 126629252 1 O4N6C31H44 A4B6C31D44 -154.97 7.59 -8.79 -0.57 0
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315883 126629260 1 ClSN2O2F3C21H22 ABC2D2E3F21G22 -188.51 2.77 -8.65 -0.65 0
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315884 126629272 2 OSN2H12C13 ABC2D12E13 33.09 5.93 -8.85 -1.07 0
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315885 126629284 1 FN2O3C25H25 AB2C3D25E25 -90.86 5.84 -9.1 -0.54 0
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315886 126629294 1 F2N2O3H24C25 A2B2C3D24E25 -138.15 4.6 -9.32 -0.74 0
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315887 126629296 1 FN2O3C28H31 AB2C3D28E31 -101.18 3.95 -8.46 -0.24 0
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315888 126629303 1 F2N2O3H24C25 A2B2C3D24E25 -143.36 6.28 -9.4 -0.98 0
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315889 126629308 1 FN3O3C23H24 AB3C3D23E24 -84.44 6.15 -9.1 -0.58 0
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315892 126629323 1 FN3O3C24H26 AB3C3D24E26 -94.14 5.5 -8.83 -0.39 0
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315894 126629347 1 FN2O3C28H29 AB2C3D28E29 -99.56 3.32 -9.38 -0.67 0
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315895 126629349 1 FN2O2C28H31 AB2C2D28E31 -60.07 6.8 -8.92 -0.44 0
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315896 126629350 1 FN2O3C26H27 AB2C3D26E27 -86.71 1.74 -9.36 -0.57 0
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315898 126629361 1 FNO3H24C25 ABC3D24E25 -98.35 4.79 -8.69 -0.34 0
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315899 126629362 1 FN2O3C23H23 AB2C3D23E23 -114.67 5.37 -9.33 -0.68 0
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315900 126629363 1 FN2O3C23H23 AB2C3D23E23 -113.06 6.27 -9.23 -0.54 0
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315901 126629365 1 FN2O3C26H27 AB2C3D26E27 -99.67 4.84 -9.12 -0.5 0
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315905 126629393 1 FO2N3C22H22 AB2C3D22E22 -71.12 3.4 -8.56 -0.48 0
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315906 126629399 1 FO2N3C25H28 AB2C3D25E28 -87.88 2.78 -8.36 -0.35 0
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315907 126629406 1 N2O3C25H28 A2B3C25D28 -75.91 5.63 -9.12 -0.42 0
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315908 126629407 1 NO3C26H27 AB3C26D27 -54.98 7.52 -9.07 -0.54 0
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315910 126629412 1 N2O3C25H26 A2B3C25D26 -41.76 5.22 -8.94 -0.54 0
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315912 126629417 1 ClFN2O3H24C25 ABC2D3E24F25 -101.37 5.24 -9.15 -0.6 0
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315914 126629423 1 FN3O5C30H36 AB3C5D30E36 -222.02 5.41 -9.18 -0.69 0
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315919 126629432 1 FN2O3C28H31 AB2C3D28E31 -130.32 5.3 -9.0 -0.5 0
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315920 126629433 1 ON4C27H30 AB4C27D30 68.08 3.51 -8.94 -0.4 0
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315921 126629439 1 FN2O3H23C25 AB2C3D23E25 -70.58 4.22 -9.35 -1.07 0
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315922 126629440 1 IH3C9 AB3C9 211.98 3.07 -9.39 -1.01 0
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315923 126629441 1 HIC12 ABC12 344.38 0.54 -9.52 -1.32 0
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315924 126629451 1 Cl3N6O8C38H51 A3B6C8D38E51 -355.21 3.44 -9.06 -0.82 0
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315925 126629452 1 O3N6C31H46 A3B6C31D46 -123.39 2.58 -9.0 -0.55 0
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315926 126629454 1 N6O7C34H46 A6B7C34D46 -268.39 3.83 -9.28 -0.64 0
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315927 126629455 1 N6O7C35H50 A6B7C35D50 -289.43 7.16 -9.15 -0.72 0
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315929 126629458 1 O3C20H30 A3B20C30 -140.52 2.03 -8.72 -0.25 0
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315930 126629459 1 FN2O2C26H27 AB2C2D26E27 -56.36 5.91 -9.05 -0.43 0
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315931 126629460 1 FN2O2C26H29 AB2C2D26E29 -89.92 4.09 -9.01 -0.35 0
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315933 126629462 1 BrN3C17H20 AB3C17D20 51.52 4.71 -9.14 -0.18 0
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315934 126629463 1 ION4C10H17 ABC4D10E17 12.48 2.66 -9.34 -2.33 0
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315935 126629464 1 N5O7C32H43 A5B7C32D43 -278.83 6.78 -9.31 -0.83 0
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315936 126629465 1 BrON3C19H24 ABC3D19E24 118.38 23.5 -6.42 -2.73 1
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315937 126629466 1 PO4C13H20 AB4C13D20 -191.89 4.54 0.0 0.0 0
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315938 126629467 1 O3C18H26 A3B18C26 -143.98 2.98 -8.8 -0.12 0
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315940 126629469 1 N6O7C38H56 A6B7C38D56 -295.13 6.73 -8.9 -0.81 0
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315941 126629470 1 N5O5C29H39 A5B5C29D39 -179.41 8.88 -9.18 -0.86 0