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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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181335 76731160 1 ON3C12H17 AB3C12D17 11.59 2.14 -8.96 0.18 0
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181336 76732443 1 ClO3N6C37H45 AB3C6D37E45 -79.23 6.56 -9.14 0.0 0
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181337 76732477 1 ClN5O7C40H46 AB5C7D40E46 -259.34 5.8 -9.24 -0.26 0
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181338 76732478 1 O4N7C30H37 A4B7C30D37 -89.81 3.53 -8.82 -0.17 0
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181339 76732479 2 O2N3C18H20 A2B3C18D20 -73.58 7.94 -8.58 -0.26 1
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181340 76732554 1 ClFO3N4H21C25 ABC3D4E21F25 -29.48 3.03 0.0 0.0 0
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181341 76732555 1 ClN4O4C26H31 AB4C4D26E31 -101.98 2.73 -8.72 -0.54 0
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181342 76732556 1 Cl2O3N5H23C25 A2B3C5D23E25 -16.82 3.2 -9.22 -0.73 0
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181343 76732557 1 ClN3O5C24H28 AB3C5D24E28 -140.58 3.15 -9.05 -0.54 0
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181344 76732558 1 ClFO3N4H34C35 ABC3D4E34F35 -49.12 5.33 -8.71 -0.18 0
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181345 76732567 1 ClN4O4H25C26 AB4C4D25E26 -58.44 4.93 -8.94 -0.62 0
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181346 76732692 1 O3N4C29H32 A3B4C29D32 -30.71 2.4 -8.5 -0.31 0
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181347 76732693 1 ClO3N4H25C26 AB3C4D25E26 -24.21 2.48 -9.28 -0.44 1
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181348 76732701 1 N3O4C23H24 A3B4C23D24 -59.73 4.25 0.0 0.0 0
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181349 76732822 1 NS2O5C29H39 AB2C5D29E39 -201.18 5.05 -8.66 -0.72 0
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181350 76732823 1 NSO4C27H39 ABC4D27E39 -173.31 4.45 -8.53 -0.31 0
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181351 76732824 1 SO2Cl3C23H27 AB2C3D23E27 -111.76 3.09 -9.43 -0.92 0
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181352 76733036 1 NO2C10H21 AB2C10D21 -128.82 4.77 -9.88 0.86 0
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181353 76733507 1 SF4N4O7C48H48 AB4C4D7E48F48 -323.77 7.64 -9.44 -1.57 0
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181354 76733508 1 SO8N9C42H51 AB8C9D42E51 -184.89 5.48 -8.11 -0.86 -2
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181355 76733840 1 YC10H22 AB10C22 -13.38 2.14 0.0 0.0 0
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181356 76733841 1 N2O6C17H18 A2B6C17D18 -201.02 3.24 -9.87 -1.76 0
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181357 76733842 1 FN2O4C21H25 AB2C4D21E25 -130.9 4.21 -8.99 -1.3 0
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181358 76734480 1 PdCl2N2C9H12 AB2C2D9E12 217.5 6.43 -6.9 -0.55 -4
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181359 76734510 1 MoCu2C3S6H12 AB2C3D6E12 183.87 7.39 -7.48 -1.02 0