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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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81852 49855256 9 OC3H4 AB3C4 -403.91 3.11 -8.79 0.3 0
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81853 49855257 1 F2N2O3H16C21 A2B2C3D16E21 -135.15 3.56 -8.56 -0.62 0
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81854 49855258 1 ClN2O3H17C21 AB2C3D17E21 -53.18 3.04 -8.52 -0.62 0
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81855 49855259 1 F2N2O2H16C21 A2B2C2D16E21 -93.47 2.7 -8.45 -0.96 0
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81856 49855260 1 SO2N7C23H33 AB2C7D23E33 -19.07 12.48 -8.84 -0.7 0
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81857 49855261 1 SO2N7C28H35 AB2C7D28E35 15.53 11.44 -8.91 -0.76 0
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81858 49855262 1 SO2N7C25H37 AB2C7D25E37 -29.55 5.56 -8.87 -0.76 0
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81859 49855263 1 N2O3C18H18 A2B3C18D18 -64.1 0.7 -8.28 -0.58 2
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81861 49855266 2 NOC9H16 ABC9D16 -113.33 4.34 -7.85 1.05 0
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81862 49855268 1 FN3O5C26H26 AB3C5D26E26 -157.79 10.49 -9.27 -1.42 0
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81863 49855269 1 ClSF2O2N3H18C27 ABC2D2E3F18G27 -63.3 6.34 -9.01 -1.54 0
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81864 49855270 1 ClSF2O2N3H18C27 ABC2D2E3F18G27 -64.24 5.83 -8.98 -1.7 0
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81865 49855271 1 ClO2N3H14C19 AB2C3D14E19 60.39 4.18 -8.71 -1.05 0
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81866 49855272 1 ClF2O3N4C18H21 AB2C3D4E18F21 -171.36 4.69 -8.48 -1.21 0
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81867 49855273 1 ClF2O3N4C17H19 AB2C3D4E17F19 -160.72 7.94 -8.49 -0.97 0
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81868 49855276 1 F2O2N5C18H19 A2B2C5D18E19 -94.06 7.73 -8.63 -1.25 0
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81869 49855277 1 ClO3N4C18H23 AB3C4D18E23 -60.94 3.11 -8.22 -0.75 0
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81870 49855278 1 F2O3N5C19H21 A2B3C5D19E21 -127.8 8.48 -8.47 -1.26 0
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81871 49855279 1 ClN3O3C19H24 AB3C3D19E24 -69.13 3.2 -7.95 -0.66 0
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81872 49855280 1 O4N5C25H25 A4B5C25D25 -64.28 2.99 -8.35 -1.37 0
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81873 49855283 1 NF2O6C17H17 AB2C6D17E17 -309.32 5.91 -9.83 -1.8 0
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81874 49855284 1 NF2O6H13C19 AB2C6D13E19 -256.0 10.31 -9.94 -1.9 0
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81875 49855286 1 O2S2N3H19C26 A2B2C3D19E26 36.34 4.56 -8.79 -0.93 0
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81876 49855287 1 S2N3O3H21C27 A2B3C3D21E27 -4.69 4.7 -8.73 -0.95 0
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81877 49855289 1 SO5N6H18C23 AB5C6D18E23 9.5 5.5 -8.85 -1.63 0
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81878 49855290 1 ClSO4N5H20C24 ABC4D5E20F24 -33.91 6.96 -8.63 -1.02 0
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81879 49855295 1 NO3C22H23 AB3C22D23 -76.84 3.84 -8.77 -0.7 0
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81880 49855296 1 FNO3H20C21 ABC3D20E21 -114.28 6.5 -8.97 -0.82 0
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81881 49855297 1 ClOSN4C20H27 ABCD4E20F27 -12.07 8.62 -8.42 -0.56 0
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81882 49855298 1 NO4C15H19 AB4C15D19 -145.04 5.43 -9.04 -0.37 0
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81883 49855301 1 SO3C12H14 AB3C12D14 -75.52 1.44 -9.14 -0.35 0
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81884 49855302 2 OC10H19 AB10C19 -151.77 5.32 -10.67 0.74 0
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81885 49855303 1 NF3O5C24H28 AB3C5D24E28 -264.65 1.33 -8.84 -0.09 0
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81886 49855304 1 NO4C28H29 AB4C28D29 -87.06 6.11 -8.62 -0.89 0
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81887 49855305 1 NO4H25C26 AB4C25D26 -73.32 5.83 -8.67 -0.86 0
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81888 49855306 1 NO5H27C28 AB5C27D28 -114.89 6.52 -8.52 -0.94 0
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81889 49855308 1 SCl2F2N2O12C58H68 AB2C2D2E12F58G68 -574.27 7.81 -8.89 -1.11 0
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81890 49855309 1 NO4H27C28 AB4C27D28 -78.21 7.24 -8.49 -0.92 0
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81891 49855310 1 N2O4C25H34 A2B4C25D34 -120.02 2.74 -8.2 0.19 0
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81892 49855311 18 CH AB 119.9 0.63 -8.68 -0.52 0
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81893 49855312 1 ClNO4C24H28 ABC4D24E28 -141.58 6.17 -8.98 -0.7 1
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81894 49855316 1 N2C23H33 A2B23C33 55.5 2.2 0.0 0.0 1
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81895 49855318 1 N2C21H29 A2B21C29 65.64 1.29 0.0 0.0 0
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81896 49855320 1 FN6O8C23H29 AB6C8D23E29 -299.43 17.11 -9.17 -1.01 0
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81897 49855324 1 ClSN2O3H19C25 ABC2D3E19F25 -23.03 4.25 -8.98 -1.28 0
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81898 49855325 1 N2O2C11H14 A2B2C11D14 -37.07 3.22 -8.98 -0.03 0
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81899 49855327 1 SN2F3O5C15H15 AB2C3D5E15F15 -297.41 13.47 -9.68 -1.28 0
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81900 49855328 1 N2O2F3H13C15 A2B2C3D13E15 -166.13 1.61 -9.21 -1.27 0
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81901 49855329 1 SF3O6C18H19 AB3C6D18E19 -374.88 5.84 -10.28 -1.54 0
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81903 49855331 1 SN5O8C37H55 AB5C8D37E55 -347.56 3.94 -8.98 -1.06 0
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81904 49855332 1 ClO2N3C50H62 AB2C3D50E62 4.83 2.65 -8.45 -0.13 0
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81905 49855333 1 SN4O4C30H36 AB4C4D30E36 -76.18 0.58 -8.08 -0.82 0
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81906 49855334 1 N2O9C20H24 A2B9C20D24 -177.88 2.18 -8.5 -1.32 0
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81907 49855335 1 S2N4O5C17H28 A2B4C5D17E28 -216.62 1.73 -8.36 -1.02 0
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81908 49855336 1 SN2O5C40H40 AB2C5D40E40 -129.96 10.81 -8.48 -0.95 0
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81909 49855337 1 ON3C25H37 AB3C25D37 -39.09 3.27 -8.95 0.11 0
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81910 49855339 1 NO3H23C24 AB3C23D24 -19.7 1.62 -9.53 -0.53 0
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81911 49855340 1 NO2C17H19 AB2C17D19 -9.48 2.33 -9.57 0.04 0
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81912 49855342 1 OF3H9C16 AB3C9D16 -87.49 5.99 -9.61 -1.28 0
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81913 49855343 1 O2F3H9C16 A2B3C9D16 -167.62 3.75 -9.38 -1.6 0
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81914 49855346 1 BrN2S3O7C32H39 AB2C3D7E32F39 -239.5 5.71 -9.91 -0.82 0
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81915 49855347 1 FNOPH19C20 ABCDE19F20 -58.82 4.94 -9.43 -0.16 0
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81917 49855350 1 O3C16H22 A3B16C22 -88.7 3.03 -8.8 0.14 0
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81918 49855351 1 NO6C25H37 AB6C25D37 -258.14 3.34 -8.86 -0.02 0
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81919 49855352 1 SiO5C25H42 AB5C25D42 -276.56 3.45 -8.73 0.13 0
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81920 49855353 1 SiO6C32H46 AB6C32D46 -293.11 2.0 -8.99 0.12 0
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81922 49855355 3 OC11H18 AB11C18 -205.02 1.42 -9.08 0.96 0
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81923 49855357 6 OC4H5 AB4C5 -218.06 4.96 -8.52 -0.21 0
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81924 49855358 2 O4H19C20 A4B19C20 -245.73 1.52 -7.91 -0.62 0
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81925 49855359 1 O7C25H34 A7B25C34 -348.65 3.35 -8.89 0.16 0
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81926 49855360 1 NC11H21 AB11C21 -19.94 2.14 -8.68 1.38 0
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81927 49855361 1 SO4N5C33H35 AB4C5D33E35 -70.21 8.87 -8.66 -1.04 0
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81928 49855363 1 SO4N5C31H31 AB4C5D31E31 -69.03 5.02 -8.52 -0.89 0
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81929 49855364 1 SO3N5C32H33 AB3C5D32E33 -40.5 6.67 -8.43 -0.85 0
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81930 49855365 1 ClO2N3H10C14 AB2C3D10E14 29.4 7.06 -8.74 -1.3 0