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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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170552 75250848 1 N7O15C32H47 A7B15C32D47 -681.5 13.02 -9.25 -0.2 0
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170553 75250849 1 N7O16C32H47 A7B16C32D47 -719.45 6.72 -8.79 0.11 0
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170554 75251064 2 BrN3H24C26 AB3C24D26 471.79 44.58 -5.36 -3.16 0
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170555 75252149 1 F2O2N7C29H39 A2B2C7D29E39 -76.25 4.73 -8.47 -0.49 1
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170556 75252150 1 ClFSO3N5H18C24 ABCD3E5F18G24 -32.32 9.02 0.0 0.0 0
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170557 75252151 1 SN5O9C49H55 AB5C9D49E55 -271.26 4.81 -8.94 -0.87 0
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170558 75252574 1 O2C11H22 A2B11C22 -124.76 3.16 -9.86 0.87 0
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170559 75252764 1 N3O4C28H29 A3B4C28D29 -63.29 1.63 -9.32 -0.64 0
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170560 75253118 1 OSi2C26H50 AB2C26D50 -123.77 1.42 -8.75 0.88 1
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170561 75253242 1 O2S3C4H9 A2B3C4D9 -86.36 1.56 0.0 0.0 0
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170562 75253243 1 O2S3C4H8 A2B3C4D8 -63.3 1.46 -9.13 -1.96 0
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170563 75253317 1 O2N3H17C20 A2B3C17D20 14.54 6.51 -8.89 -1.06 0
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170564 75253318 1 OF2N5H21C23 AB2C5D21E23 -26.52 5.1 -8.93 -1.13 0
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170565 75253490 1 ClON5H20C22 ABC5D20E22 56.89 5.11 -9.05 -1.74 0
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170566 75253491 2 ON2H10C11 AB2C10D11 89.68 10.65 -8.56 -1.31 0
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170567 75253492 1 OF3N6H21C24 AB3C6D21E24 -52.03 5.26 -9.06 -1.63 0
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170568 75253635 1 FO4N6C28H35 AB4C6D28E35 -119.71 5.25 -8.66 -0.7 0
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170569 75253717 1 FN2O4C44H49 AB2C4D44E49 -153.47 6.13 -8.62 -0.41 0
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170570 75253918 1 O12N17C59H83 A12B17C59D83 -481.79 6.35 -8.73 -0.26 0
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170571 75253998 1 ClN2O3C31H35 AB2C3D31E35 -119.45 3.88 -8.95 -0.25 0
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170572 75254260 1 ClOC13H15 ABC13D15 -13.93 3.04 -9.26 0.04 0
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170573 75254899 1 BrClFON3H14C16 ABCDE3F14G16 -32.17 5.08 -9.05 -0.68 0
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170574 75255105 1 OCl2N4C20H22 AB2C4D20E22 18.25 1.36 -8.53 -0.11 1
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170575 75255716 1 SN3O6C24H24 AB3C6D24E24 -161.64 6.74 0.0 0.0 0
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170576 75255724 1 SN3O4C24H25 AB3C4D24E25 -93.02 7.91 -8.75 -0.43 0