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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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85525 49876371 1 BrClNO3C13H18 ABCD3E13F18 -74.46 3.79 0.0 0.0 -1
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85526 49876372 1 NOCl2C11H14 ABC2D11E14 -0.12 4.67 0.0 0.0 -1
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85527 49876379 1 NOBr2C9H16 ABC2D9E16 -51.11 2.18 0.0 0.0 -1
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85528 49876383 1 BrO2S2N3C11H11 AB2C2D3E11F11 10.19 5.58 0.0 0.0 -1
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85529 49876447 1 BrN2O2F3H17C23 AB2C2D3E17F23 -91.75 3.05 0.0 0.0 -1
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85530 49876457 1 ClON3C19H25 ABC3D19E25 14.15 3.19 0.0 0.0 -1
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85531 49876458 1 ClN2S2O3C20H26 AB2C2D3E20F26 -46.2 4.85 0.0 0.0 -1
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85532 49876516 1 N2Cl3C10H10 A2B3C10D10 54.73 2.7 0.0 0.0 -1
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85533 49876550 1 ClS2N4O7C28H36 AB2C4D7E28F36 -262.38 10.92 0.0 0.0 -1
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85534 49876557 1 OSCl3N3H17C19 ABC3D3E17F19 34.87 5.62 0.0 0.0 -1
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85535 49876576 1 BrOSN2H16C20 ABCD2E16F20 87.99 1.26 0.0 0.0 -1
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85536 49876579 1 ClFSN3O4C26H28 ABCD3E4F26G28 -46.75 8.47 0.0 0.0 -1
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85537 49876581 1 ClOSN2C16H24 ABCD2E16F24 -8.88 5.31 0.0 0.0 -1
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85538 49876628 1 SCl2N3O3C25H26 AB2C3D3E25F26 -32.92 4.88 0.0 0.0 -1
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85539 49876664 1 BrS2N5O5C25H27 AB2C5D5E25F27 -45.07 5.78 0.0 0.0 -1
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85540 49876690 1 Cl2N3O3H30C33 A2B3C3D30E33 46.31 5.69 0.0 0.0 -1
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85541 49876693 1 SCl3O3N5H19C21 AB3C3D5E19F21 -39.7 6.35 0.0 0.0 -1
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85542 49876694 1 ClSN2C24H30 ABC2D24E30 50.92 1.16 0.0 0.0 -1
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85543 49876695 1 ClIN2O4H15C23 ABC2D4E15F23 67.8 6.28 0.0 0.0 -1
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85544 49876696 1 ClN2S2O3H16C17 AB2C2D3E16F17 -3.86 7.49 0.0 0.0 -1
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85545 49876708 1 ClNSO3C5H11 ABCD3E5F11 -118.03 5.5 0.0 0.0 -2
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85546 49876709 1 Cl2N2O2C23H30 A2B2C2D23E30 -4.71 2.63 -8.83 -1.02 -1
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85547 49876712 1 ClNO5C17H21 ABC5D17E21 -152.05 5.82 0.0 0.0 -1
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85548 49876741 1 ClFNO2C17H26 ABCD2E17F26 -109.28 1.64 0.0 0.0 -1
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85549 49876765 1 SCl2N3O5C24H26 AB2C3D5E24F26 -82.73 5.57 0.0 0.0 -1