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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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223316 85334848 1 O13N20C84H144 A13B20C84D144 -709.15 7.43 -8.79 -0.32 0
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223317 85334849 1 O15N21C80H153 A15B21C80D153 -828.08 7.87 -8.76 -0.04 0
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223318 85334850 1 SN21O23C70H119 AB21C23D70E119 -1115.44 27.38 -8.4 -0.92 5
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223320 85334854 1 Cl2N12O23C79H104 A2B12C23D79E104 -445.98 26.24 -8.36 -1.42 0
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223321 85334855 1 N14O20C85H124 A14B20C85D124 -701.31 16.91 -5.87 -0.91 0
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223322 85334856 1 S3N18O23C70H120 A3B18C23D70E120 -1152.91 5.17 -9.1 -0.13 0
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223323 85334858 1 SN18O25C73H124 AB18C25D73E124 -1282.73 21.12 -9.27 -0.19 0
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223324 85334860 1 Cl2N12O23C83H112 A2B12C23D83E112 -755.69 16.07 -8.07 -2.25 0
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223326 85334866 2 NS6C14H22O24 AB6C14D22E24 -1908.27 8.77 -9.67 -1.98 0
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223327 85334867 1 SO22N23C81H149 AB22C23D81E149 -1164.97 6.24 -8.67 -0.51 0
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223328 85334868 1 O2Cl8N14C95H178 A2B8C14D95E178 -427.69 5.35 -7.58 -0.87 0
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223329 85334869 1 O2N14C95H170 A2B14C95D170 -171.46 8.42 -7.89 -0.74 0
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223330 85334871 2 NNa6S6C15H18O24 AB6C6D15E18F24 -2872.14 40.02 -8.63 -1.23 0
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223331 85334876 1 O6I9C53H59 A6B9C53D59 -76.44 7.0 -8.59 -1.76 0
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223332 85334878 1 NO46C95H149 AB46C95D149 -2092.52 9.86 -9.8 -0.79 0
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223333 85334879 1 O19N27C99H183 A19B27C99D183 -1050.46 20.29 -9.22 -0.1 0
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223335 85334883 1 O21N36C104H206 A21B36C104D206 -1155.9 10.92 -8.81 -0.15 0
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223336 85334884 1 Na3N5O48C113H196 A3B5C48D113E196 -2238.68 247.68 -6.21 -4.29 0
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223337 85334885 1 N5O48C113H199 A5B48C113D199 -2378.2 3.36 -9.61 -1.05 -3
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223338 85334886 1 NaN6O56C124H212 AB6C56D124E212 -2623.67 127.23 0.0 0.0 -3
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223339 85334888 1 NaN6O56C124H212 AB6C56D124E212 -2767.13 11.02 0.0 0.0 0
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223340 85334889 2 N3O28C62H108 A3B28C62D108 -2762.81 18.25 -10.09 -0.52 0
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223341 85334890 1 ON4C5H8 AB4C5D8 -0.34 8.38 -9.56 -0.84 0
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223342 85334891 2 NOC4H5 ABC4D5 -58.13 3.85 -10.3 -1.38 0
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223343 85334892 1 NO3C8H13 AB3C8D13 -106.08 2.87 -9.63 -0.29 0
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223344 85334893 1 SN2O2C6H8 AB2C2D6E8 -42.94 1.61 -9.53 -0.72 0
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223345 85334894 1 N2O2C9H12 A2B2C9D12 -57.91 4.04 -10.24 -0.86 0
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223346 85334895 1 N2O2C9H10 A2B2C9D10 -33.13 3.48 -10.33 -1.38 0
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223347 85334896 1 NO3C9H11 AB3C9D11 -78.91 2.08 -10.76 -1.16 0
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223348 85334897 1 BrClC5H8 ABC5D8 -14.26 2.86 -9.91 -0.57 0
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223349 85334899 1 ON4H8C9 AB4C8D9 55.44 6.7 -9.65 -1.79 0
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223350 85334900 1 NOC12H17 ABC12D17 -10.65 4.2 -8.67 -0.14 0
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223351 85334901 1 ON4C9H12 AB4C9D12 37.17 5.92 -8.91 -1.11 0
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223352 85334902 1 ON2C12H18 AB2C12D18 -17.05 3.88 -9.14 -1.21 0
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223353 85334903 1 NO4C10H13 AB4C10D13 -153.23 1.49 -9.3 -0.18 0
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223354 85334904 1 ON3C12H17 AB3C12D17 20.43 5.34 -9.28 -1.07 0
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223355 85334905 1 SN3C11H15 AB3C11D15 46.43 6.07 -8.66 -0.79 0
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223356 85334908 1 N2O5C9H18 A2B5C9D18 -219.35 2.14 -9.78 0.87 0
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223357 85334909 1 SN3C12H17 AB3C12D17 41.88 6.09 -8.64 -0.79 0
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223358 85334910 1 NOSiC13H23 ABCD13E23 -60.53 3.2 -9.91 0.84 0
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223359 85334911 2 O2C7H8 A2B7C8 -155.95 3.55 -9.21 -0.21 0
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223360 85334912 1 ON2H12C16 AB2C12D16 146.4 2.78 -8.59 -1.67 0
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223361 85334914 1 OSN3C12H15 ABC3D12E15 32.58 6.34 -8.57 -0.78 0
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223362 85334915 1 ClN3O4C8H12 AB3C4D8E12 -102.23 8.79 -9.05 -1.49 0
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223363 85334916 1 OC17H30 AB17C30 -95.09 2.23 -9.33 2.55 0
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223364 85334917 1 ON5C13H15 AB5C13D15 39.3 2.91 -9.22 -1.09 0
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223365 85334918 1 NO2C16H19 AB2C16D19 -47.77 2.47 -9.56 -0.12 0
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223366 85334919 1 ClSO5C8H15 ABC5D8E15 -231.81 2.32 -10.82 -0.66 0
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223367 85334920 1 O3N5C11H13 A3B5C11D13 42.68 6.27 -8.57 -1.89 0
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223368 85334923 1 ON2C17H20 AB2C17D20 5.6 6.02 -8.66 -0.76 0
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223369 85334924 1 N2O2S2C11H12 A2B2C2D11E12 -34.36 6.78 -9.08 -1.8 0
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223370 85334926 1 O2N3C15H17 A2B3C15D17 38.79 6.18 -9.54 -0.02 0
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223371 85334927 2 OC9H12 AB9C12 -75.7 3.32 -8.38 0.24 0
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223372 85334928 1 NPO5C11H16 ABC5D11E16 -250.27 4.27 -9.39 -0.44 0
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223373 85334931 1 ON2C18H22 AB2C18D22 -3.75 5.13 -8.54 -0.59 0
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223374 85334932 1 O2S2N3C11H13 A2B2C3D11E13 -22.46 3.34 -8.99 -1.8 0
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223375 85334933 1 O2S2N3C11H15 A2B2C3D11E15 -41.44 4.89 -9.03 -1.29 0
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223376 85334935 2 OH9C10 AB9C10 -28.47 5.44 -9.08 -1.0 0
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223377 85334936 1 O2N3C17H21 A2B3C17D21 -13.2 3.44 -7.77 -1.71 0
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223378 85334937 1 SO2N5C12H13 AB2C5D12E13 26.44 5.46 -8.4 -0.98 0
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223379 85334939 1 O3H16C19 A3B16C19 -64.19 5.91 -9.1 -1.09 0
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223380 85334940 1 OSN2H14C17 ABC2D14E17 51.84 4.19 -9.45 -0.59 0
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223381 85334942 2 O2H8C9 A2B8C9 -91.29 3.94 -8.85 -1.1 0
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223382 85334943 1 ClSN2O3H9C12 ABC2D3E9F12 -55.42 4.35 -9.49 -1.51 0
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223383 85334945 1 ClO2N3C14H20 AB2C3D14E20 5.3 2.02 -8.56 -1.24 0
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223384 85334946 1 O2F3N4C12H13 A2B3C4D12E13 -173.8 4.66 -9.39 -1.0 0
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223385 85334948 1 N3O4C14H25 A3B4C14D25 -211.76 4.06 -9.89 0.17 0
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223386 85334950 1 ClO3H13C17 AB3C13D17 -58.06 7.03 -9.16 -1.61 0
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223387 85334951 1 NO4C17H19 AB4C17D19 -105.78 5.31 -8.71 -0.88 0
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223389 85334956 1 OF3N3H10C15 AB3C3D10E15 -59.45 11.99 -8.02 -1.36 0
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223390 85334958 1 NSO2C17H23 ABC2D17E23 -90.05 5.93 -8.75 -0.73 0
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223391 85334959 1 SN2O4C14H14 AB2C4D14E14 -116.47 3.54 -9.06 -0.93 0
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223392 85334960 1 N2O2C19H20 A2B2C19D20 -42.51 4.21 -9.48 -0.12 0
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223393 85334961 1 N2O2C19H20 A2B2C19D20 90.72 10.87 -9.42 -1.96 0
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223395 85334963 1 OSN3C17H23 ABC3D17E23 11.93 5.18 -8.49 -0.35 0