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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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84475 49866639 1 PN7O7C16H26 AB7C7D16E26 -300.61 2.28 -9.11 -0.55 0
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84476 49866641 1 P3N5C15O17H28 A3B5C15D17E28 -894.92 6.46 -9.02 -0.75 0
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84477 49866683 1 NSO2C4H7 ABC2D4E7 -80.23 5.31 -9.61 -0.71 0
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84478 49866698 1 PSN4O6C19H25 ABC4D6E19F25 -280.16 7.63 -9.58 -0.94 1
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84479 49866715 1 SN4O4C15H21 AB4C4D15E21 -91.02 9.11 0.0 0.0 0
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84480 49866730 1 SO2C11H14 AB2C11D14 -81.99 5.18 -9.13 -0.22 0
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84481 49866753 1 PSN3O6C9H14 ABC3D6E9F14 -308.47 6.39 -9.48 -0.68 0
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84482 49866754 1 NO2S2C8H15 AB2C2D8E15 -106.94 3.86 -9.27 -1.33 0
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84483 49866759 1 BN4O8C29H41 AB4C8D29E41 -399.06 7.04 -9.36 -1.08 3
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84484 49866767 1 CdOH3 ABC3 11.97 0.92 0.0 0.0 0
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84485 49866784 1 FPN3O7C9H13 ABC3D7E9F13 -388.15 6.72 -9.74 -0.54 0
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84486 49866787 1 PN8O10C19H25 AB8C10D19E25 -406.62 11.05 -9.37 -0.73 2
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84487 49866791 1 MgN4O6C55H72 AB4C6D55E72 -149.97 4.07 -7.46 -1.96 0
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84488 49866792 1 N4O6C55H72 A4B6C55D72 -182.87 1.35 -8.08 -1.53 0
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84489 49866819 1 FeN6O13C35H56 AB6C13D35E56 -498.99 5.58 -7.81 -0.6 0
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84490 49866823 1 N4O4C17H22 A4B4C17D22 -117.01 6.77 -9.09 -1.58 -1
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84491 49866824 1 O4N5H16C17 A4B5C16D17 -47.35 2.02 0.0 0.0 0
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84492 49866825 1 O4N5C17H17 A4B5C17D17 -73.08 5.69 -9.04 -1.68 1
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84493 49866843 1 S2N6O7C22H25 A2B6C7D22E25 -152.35 8.24 0.0 0.0 0
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84494 49866884 1 O4N5C23H29 A4B5C23D29 -106.41 5.76 -8.46 -0.6 0
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84495 49866890 1 OSC4N4H8 ABC4D4E8 25.86 1.18 -9.36 -0.58 0
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84496 49866891 1 S2O3C5H10 A2B3C5D10 -142.07 3.51 -9.16 0.01 0
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84497 49866954 1 N3O8C32H43 A3B8C32D43 -330.25 4.31 -9.87 -0.58 0
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84498 49866965 1 P2N9O16C36H43 A2B9C16D36E43 -719.61 4.77 -8.67 -0.78 0
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84499 49866980 1 NPSC6O6H14 ABCD6E6F14 -330.7 3.43 -9.75 -0.45 0