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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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223291 85334805 1 N17O24C62H105 A17B24C62D105 -1195.38 14.47 -9.49 -0.18 0
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223292 85334811 1 SN18O18C67H116 AB18C18D67E116 -897.65 13.78 -8.73 -0.28 0
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223293 85334812 3 N6O7C22H38 A6B7C22D38 -1054.85 7.98 -9.55 -0.37 0
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223294 85334813 1 SN19O21C63H105 AB19C21D63E105 -1016.92 13.88 -8.78 -0.11 0
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223295 85334814 1 S2N18O20C63H104 A2B18C20D63E104 -970.33 10.03 -8.69 -0.07 0
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223296 85334815 1 SO16N20C69H112 AB16C20D69E112 -773.04 6.05 -8.67 -0.29 0
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223297 85334816 2 O17C36H53 A17B36C53 -1510.52 9.51 -8.48 -0.79 0
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223298 85334824 1 O18N20C71H118 A18B20C71D118 -907.03 9.63 -9.1 -0.21 0
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223299 85334825 1 N18O21C70H114 A18B21C70D114 -895.56 10.29 -7.62 -1.12 0
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223300 85334829 2 N8O10C37H61 A8B10C37D61 -1008.16 8.84 -9.43 -0.28 0
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223301 85334830 1 N20O22C67H120 A20B22C67D120 -1083.18 7.54 -9.6 -0.51 0
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223302 85334831 1 N18O21C71H120 A18B21C71D120 -998.39 11.84 -7.76 -0.97 0
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223303 85334833 2 O7N9C40H67 A7B9C40D67 -669.67 13.54 -8.59 -0.57 0
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223304 85334834 1 SO18N19C72H121 AB18C19D72E121 -866.49 19.82 -8.43 -0.22 0
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223305 85334835 2 I3O4C26H33 A3B4C26D33 -304.48 1.72 -9.31 -1.67 0
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223306 85334836 1 SN15O24C70H113 AB15C24D70E113 -1191.7 10.55 -9.04 -0.68 0
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223307 85334837 1 SO13N19C77H149 AB13C19D77E149 -801.89 5.48 -9.33 -0.05 0
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223308 85334838 1 S3N18O22C66H106 A3B18C22D66E106 -1046.32 4.46 -8.83 -0.82 0
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223309 85334839 1 LuSO17N18C64H100 ABC17D18E64F100 -660.54 9.75 0.0 0.0 0
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223310 85334840 1 S3N18O24C64H106 A3B18C24D64E106 -1041.56 5.94 -8.46 -1.57 0
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223311 85334841 1 SO19N21C71H125 AB19C21D71E125 -953.88 12.12 -8.94 -0.14 0
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223312 85334842 2 NI3O4C26H34 AB3C4D26E34 -321.08 7.17 -8.46 -1.48 0
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223313 85334843 1 N3I5O8C60H86 A3B5C8D60E86 -364.83 5.59 -8.45 -1.3 0
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223314 85334844 1 N19O25C69H119 A19B25C69D119 -1260.18 20.42 -9.44 -0.81 0
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223315 85334845 1 N2I6O8C53H70 A2B6C8D53E70 -340.7 7.91 -8.27 -1.53 0
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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