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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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50304 12012821 1 ClH3C6N9 AB3C6D9 260.41 1.75 0.0 0.0 1
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50305 12012822 1 ClH3C6N7 AB3C6D7 224.77 0.89 0.0 0.0 1
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50306 12012823 1 ClH3C6N7 AB3C6D7 216.35 3.7 0.0 0.0 1
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50307 12012824 1 ClH3C6N7 AB3C6D7 226.37 3.84 0.0 0.0 0
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50308 12012825 1 ClH3N5C6 AB3C5D6 180.61 0.58 0.0 0.0 0
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50309 12012826 1 NaPSO3H18C20 ABCD3E18F20 -116.9 2.79 -8.36 0.19 0
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50310 12012827 1 PSO3H19C20 ABC3D19E20 -79.91 4.34 -8.78 -0.55 2
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50311 12012828 1 PNa2S2O6C22H23 AB2C2D6E22F23 -370.09 13.69 -7.98 -0.53 0
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50312 12012829 1 PS2O6C22H23 AB2C6D22E23 -223.48 3.35 -8.94 -0.74 2
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50313 12012830 1 PNa3S3O9C24H26 AB3C3D9E24F26 -564.1 4.31 -7.82 -0.37 0
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50314 12012831 2 OH2N2C4 AB2C2D4 94.61 4.11 -10.39 -2.11 0
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50315 12012832 1 N5O5H9C14 A5B5C9D14 59.91 3.64 -10.26 -2.03 0
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50316 12012835 1 OF3N3H8C10 AB3C3D8E10 -124.85 4.49 -9.84 -0.83 -1
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50318 12012837 1 GeS3Si6C36H67 AB3C6D36E67 -75.49 4.43 0.0 0.0 0
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50320 12012839 1 N3O5C16H21 A3B5C16D21 -179.58 5.64 -9.27 -0.61 0
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50321 12012840 1 N4O4C15H20 A4B4C15D20 -135.77 3.68 -9.9 -0.58 0
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50322 12012841 1 N4O4C15H26 A4B4C15D26 -179.41 2.4 -9.09 -0.62 0
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50323 12012842 1 SO3N4C15H26 AB3C4D15E26 -123.99 2.64 -9.09 -0.74 0
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50324 12012843 2 ON2H7C8 AB2C7D8 58.95 4.6 -9.12 -1.44 0
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50325 12012844 1 FON4H11C15 ABC4D11E15 51.4 3.56 -10.12 -1.52 0
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50326 12012845 1 ON4F5H7C15 AB4C5D7E15 -116.04 4.44 -10.28 -1.7 0
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50327 12012847 1 ON4C18H20 AB4C18D20 44.6 4.67 -10.1 -1.28 0
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50328 12012848 2 ON2H7C12 AB2C7D12 129.26 12.34 -9.94 -1.44 0
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50329 12012849 1 O4C25H32 A4B25C32 -103.86 1.87 -9.18 0.01 0
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50330 12012850 1 O3C22H26 A3B22C26 -102.65 2.54 -9.28 0.2 0
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50331 12012851 1 NO4C24H33 AB4C24D33 -88.78 1.63 -8.82 0.13 0
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50332 12012852 1 NO3C21H27 AB3C21D27 -91.45 3.02 -8.74 0.02 0
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50333 12012854 1 SO2C18H20 AB2C18D20 -48.71 0.71 -9.21 -0.15 0
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50334 12012855 1 NSiS2O3C30H55 ABC2D3E30F55 -228.23 2.51 -8.67 0.36 0
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50335 12012856 1 NSiS2O3C34H63 ABC2D3E34F63 -251.15 2.91 -8.74 0.21 0
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50336 12012857 1 BON2C10H13 ABC2D10E13 -75.04 4.25 -8.54 -0.17 0
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50337 12012858 1 BON2C13H13 ABC2D13E13 -49.24 4.42 -8.53 -0.57 0
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50338 12012859 1 O2N3H11C18 A2B3C11D18 98.84 2.38 -9.49 -1.91 0
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50339 12012860 1 BrO2N3H10C18 AB2C3D10E18 101.4 1.75 -9.68 -2.0 0
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50340 12012861 1 BrO2N3H10C18 AB2C3D10E18 103.77 6.66 -9.58 -1.75 0
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50341 12012862 1 ON5C17H21 AB5C17D21 21.52 4.1 -8.79 -0.38 0
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50342 12012863 1 PN2O4F6C20H27 AB2C4D6E20F27 -587.3 13.53 -9.69 -1.02 0
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50343 12012865 1 ON2C16H16 AB2C16D16 17.45 4.65 -8.03 -0.76 0
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50344 12012866 1 BrON2H15C16 ABC2D15E16 21.06 6.54 -8.18 -0.98 0
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50345 12012867 1 ON2H18C20 AB2C18D20 34.43 4.06 -8.15 -1.02 0
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50346 12012868 1 BrON2H17C20 ABC2D17E20 38.09 6.07 -8.28 -1.18 0
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50347 12012869 1 ON2H16C19 AB2C16D19 53.17 3.37 -9.11 -1.13 0
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50348 12012870 1 ON2H18C20 AB2C18D20 41.37 3.6 -9.08 -1.01 0
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50349 12012871 2 OC4H6 AB4C6 -90.23 7.01 -9.55 0.25 0
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50350 12012872 1 O3C8H12 A3B8C12 -136.98 3.68 -9.68 0.16 0
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50351 12012873 1 O2C9H14 A2B9C14 -95.23 7.59 -9.56 0.19 0
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50352 12012874 2 OC4H6 AB4C6 -91.87 7.64 -9.62 0.23 0
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50353 12012875 1 O3C8H12 A3B8C12 -132.61 5.13 -9.63 0.23 0
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50354 12012876 1 O2C9H14 A2B9C14 -96.79 7.81 -9.6 0.25 0
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50355 12012877 1 SO3C12H14 AB3C12D14 -100.24 10.09 -9.78 -0.1 0
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50356 12012878 1 O3C9H14 A3B9C14 -141.73 3.88 -9.66 0.17 0
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50357 12012879 1 SO3C13H16 AB3C13D16 -108.08 4.95 -9.86 -0.23 0
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50358 12012880 1 O3C10H16 A3B10C16 -149.23 2.74 -9.12 0.27 0
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50359 12012881 2 OC5H7 AB5C7 -95.46 3.43 -9.08 0.28 0
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50360 12012882 1 SiC26H44 AB26C44 -59.62 0.67 -8.76 0.43 0
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50361 12012883 1 C21H40 A21B40 -68.13 0.43 -8.68 1.08 0
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50362 12012885 1 OC22H40 AB22C40 -96.02 4.6 -9.34 -0.04 0
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50363 12012886 1 ON2C11H12 AB2C11D12 21.73 2.02 -9.05 -0.89 0
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50364 12012887 1 ON2H16C17 AB2C16D17 44.85 1.96 -8.96 -0.89 0
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50365 12012888 1 ON2C12H14 AB2C12D14 18.03 5.06 -8.79 -0.77 0
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50366 12012890 1 ON2C14H18 AB2C14D18 3.88 2.8 -8.73 -0.77 0
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50367 12012891 1 ON2C16H22 AB2C16D22 -5.68 2.85 -8.73 -0.77 0
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50368 12012892 1 N2O3C13H16 A2B3C13D16 -54.48 2.68 -8.74 -0.81 0
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50369 12012893 2 NSC2O2H5 ABC2D2E5 -166.57 6.92 -10.57 -0.58 0
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50370 12012894 2 BOPC6H17 ABCD6E17 -135.05 2.66 -8.63 0.18 0
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50371 12012895 2 OPC6H14 ABC6D14 -158.2 1.1 -8.49 2.41 0
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50372 12012897 2 PC12H18 AB12C18 -33.03 1.56 -8.43 0.42 0
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50373 12012898 2 BPO2C8H19 ABC2D8E19 -199.72 2.19 -8.87 0.05 0
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50374 12012899 2 PO2C8H16 AB2C8D16 -261.37 3.3 -8.68 0.79 0
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50375 12012900 1 B2P2C11H30 A2B2C11D30 -10.66 2.52 -8.6 0.16 0
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50376 12012901 1 P2C11H24 A2B11C24 -68.28 0.06 -8.17 2.72 0
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50377 12012902 1 B2P2C13H34 A2B2C13D34 -15.54 3.59 -8.44 0.23 0
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50378 12012903 1 P2C13H28 A2B13C28 -73.3 0.67 -8.06 2.67 0
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50379 12012904 1 BOPC6H18 ABCD6E18 -52.3 2.29 -8.79 0.16 0
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50380 12012905 1 OPC6H15 ABC6D15 -82.33 2.19 -8.6 2.41 0
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50381 12012906 1 NOSC17H19 ABCD17E19 11.13 2.81 -8.8 -0.27 0
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50382 12012907 1 NOSC18H21 ABCD18E21 4.86 2.87 -8.8 0.02 0
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50384 12012911 1 O2H20C21 A2B20C21 -30.32 2.24 -8.5 -0.51 0
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50385 12012912 1 OH20C21 AB20C21 0.57 1.6 -8.6 -0.29 0
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50386 12012913 1 OH20C21 AB20C21 3.62 2.22 -8.62 -0.28 0
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50387 12012914 2 OC11H11 AB11C11 -33.81 2.53 -8.41 -0.36 0
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50388 12012915 1 NO3C12H17 AB3C12D17 -159.98 5.23 -10.14 0.89 0
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50389 12012916 1 NBr2O2C16H21 AB2C2D16E21 -80.86 4.91 -8.9 -0.57 0
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50390 12012917 5 OH4C5 AB4C5 -122.93 5.65 -9.23 -1.0 0
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50391 12012919 1 NO2C13H21 AB2C13D21 -116.49 5.07 -9.39 0.69 0
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50392 12012920 1 ON2C19H24 AB2C19D24 -2.68 4.78 -9.2 0.52 0
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50393 12012921 2 OH9C10 AB9C10 -24.09 4.49 -8.84 -0.78 0
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50394 12012922 1 NO3C14H19 AB3C14D19 -99.92 3.04 -9.82 -0.57 0
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50395 12012925 1 N2O3C18H22 A2B3C18D22 -126.39 4.37 -9.78 -0.28 0
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50396 12012926 1 BrF2N2O3C19H21 AB2C2D3E19F21 -186.52 4.24 -9.78 -1.55 0
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50397 12012928 1 N2O3H18C20 A2B3C18D20 -72.23 3.67 -8.99 -0.34 0
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50398 12012929 1 N2O3H18C24 A2B3C18D24 -15.03 4.05 -9.1 -0.5 0
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50399 12012930 1 N2O3H18C24 A2B3C18D24 -34.06 3.76 -9.06 -0.48 0
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50400 12012931 1 N2O3H18C22 A2B3C18D22 1.6 4.28 -9.02 -0.57 0
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50401 12012932 1 N2O3H18C22 A2B3C18D22 0.94 4.04 -8.99 -0.68 0
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50402 12012933 1 N2O3H18C24 A2B3C18D24 33.23 3.78 -8.83 -0.91 0
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50403 12012934 1 N4H22C25 A4B22C25 150.41 5.37 -8.37 -0.46 0
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50404 12012935 1 N6O7H10C12 A6B7C10D12 -38.72 3.42 -10.27 -2.56 0
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50405 12012936 1 N6O10C15H16 A6B10C15D16 -213.29 4.52 -10.18 -2.45 0
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50406 12012937 2 H2N3O3C5 A2B3C3D5 22.5 2.72 -10.99 -2.64 0