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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
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181360 76734654 1 NSO5C30H37 ABC5D30E37 -198.99 7.39 -9.0 -0.34 0
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181361 76734655 1 NSO5C36H41 ABC5D36E41 -106.35 6.32 -8.67 -1.26 0
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181362 76734656 1 SN2O6C33H38 AB2C6D33E38 -125.22 6.73 -8.76 -1.24 0
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181363 76734727 1 SN2O5C28H32 AB2C5D28E32 -161.99 10.33 -8.84 -0.95 0
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181364 76734868 1 NSO6C33H41 ABC6D33E41 -245.6 11.8 -8.81 -0.52 -1
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181366 76735341 1 SN4O12C48H68 AB4C12D48E68 -512.53 10.59 -8.8 -0.14 0
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181367 76735436 1 SN2O9C35H42 AB2C9D35E42 -282.43 4.37 -8.9 -0.2 0
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181368 76735460 1 SN3O11C40H53 AB3C11D40E53 -410.92 10.29 -8.67 -0.16 0
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181369 76736715 1 SO5C34H54 AB5C34D54 -249.88 5.17 -9.59 -0.66 0
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181370 76736716 1 ISO7C35H55 ABC7D35E55 -320.84 3.85 -9.67 -0.84 0
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181371 76736717 1 SO5C35H56 AB5C35D56 -256.8 7.04 -9.26 -0.71 0
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181372 76736767 1 OSiC35H60 ABC35D60 -135.44 1.96 -8.72 0.94 -4
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181374 76736910 1 NS2O15C51H69 AB2C15D51E69 -584.53 5.25 -9.16 -1.11 0
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181375 76736911 1 N2O19C59H74 A2B19C59D74 -718.89 6.9 -9.58 -0.92 0
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181376 76736912 1 NO16C51H61 AB16C51D61 -592.05 5.51 -9.5 -0.71 0
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181377 76736913 1 NSO18C45H55 ABC18D45E55 -529.92 9.96 -8.9 -0.94 0
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181378 76736914 1 N2O19C58H66 A2B19C58D66 -655.26 7.65 -9.04 -0.53 0
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181379 76737011 1 ClFN3O5H19C28 ABC3D5E19F28 -82.63 4.92 -9.21 -1.78 0
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181380 76737278 1 BN2P3C13O15H22 AB2C3D13E15F22 -793.3 8.09 -7.77 -0.8 0
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181381 76738637 2 SN2O2C12H17 AB2C2D12E17 -39.85 12.14 -4.58 -3.3 0
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181382 76739631 1 N3O5C32H37 A3B5C32D37 -145.82 8.03 -8.37 -0.63 -1
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181383 76740411 1 O8C21H25 A8B21C25 -309.78 4.53 0.0 0.0 0
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181384 76740477 1 NSO5H23C25 ABC5D23E25 -87.58 2.24 -8.75 -0.88 0
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181385 76740548 1 NSO6H19C20 ABC6D19E20 -156.63 4.1 -9.11 -1.37 0
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181386 76740937 1 ClO2N4C23H29 AB2C4D23E29 -53.12 4.81 -8.84 -0.92 0