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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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77652 49658585 1 ClS2N3O3H16C20 AB2C3D3E16F20 22.71 4.05 -8.93 -1.88 0
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77653 49658587 1 BrS2N3O3H16C20 AB2C3D3E16F20 34.69 3.88 -9.08 -1.87 0
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77654 49658590 1 ClS2N3O3H16C20 AB2C3D3E16F20 18.47 2.69 -8.89 -1.96 0
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77655 49658592 1 ClS2N3O3H16C20 AB2C3D3E16F20 19.92 4.48 -8.94 -1.88 0
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77656 49658596 1 ClS2N3O4H16C20 AB2C3D4E16F20 -11.82 3.61 -8.95 -1.9 0
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77657 49658597 1 ClS2N3O4H20C22 AB2C3D4E20F22 -29.75 5.18 -8.84 -1.86 0
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77658 49658598 1 ClS2N3O5H18C21 AB2C3D5E18F21 -41.02 8.0 -8.68 -1.75 0
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77659 49658600 1 ClS2N3O5H14C20 AB2C3D5E14F20 -32.94 2.89 -8.83 -1.98 0
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77660 49658603 1 ClS2F3N3O3H13C20 AB2C3D3E3F13G20 -132.59 8.23 -9.0 -2.08 0
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77661 49658604 1 N3O4H21C26 A3B4C21D26 -9.96 4.1 -8.74 -1.03 0
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77662 49658605 1 N3O5H21C26 A3B5C21D26 -36.99 3.4 -8.54 -1.07 0
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77663 49658608 1 SO2N4H24C26 AB2C4D24E26 19.49 5.16 -8.81 -0.98 0
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77664 49658609 1 ClSO2N4H21C25 ABC2D4E21F25 19.54 11.68 -8.63 -1.17 0
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77665 49658610 1 SO3N4H24C26 AB3C4D24E26 -12.59 3.99 -8.25 -0.92 0
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77666 49658611 1 FSO2N4H21C25 ABC2D4E21F25 -18.43 3.4 -8.93 -0.96 0
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77667 49658614 1 ClFSO2N4H20C25 ABCD2E4F20G25 -29.14 5.38 -9.02 -1.14 0
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77668 49658615 1 SO2N4H26C27 AB2C4D26E27 15.47 9.3 -8.79 -0.96 0
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77669 49658619 1 ClSO2N4H23C26 ABC2D4E23F26 9.89 5.32 -8.94 -1.0 0
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77670 49658621 1 SO2N4C28H28 AB2C4D28E28 11.77 4.71 -8.63 -1.02 0
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77671 49658622 1 ClSO2N4H23C26 ABC2D4E23F26 17.17 4.76 -8.7 -0.71 0
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77672 49658623 1 SO3N4H26C27 AB3C4D26E27 -18.79 8.05 -8.52 -0.94 0
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77673 49658624 1 FSO2N4H23C26 ABC2D4E23F26 -19.46 11.23 -9.13 -1.05 0
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77674 49658625 1 SO2N4H26C27 AB2C4D26E27 14.77 5.61 -8.81 -0.88 0
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77675 49658626 1 SO2N4C25H28 AB2C4D25E28 -22.44 2.47 -8.95 -0.91 0
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77676 49658628 1 ClO2S2N4H19C23 AB2C2D4E19F23 25.63 9.66 -8.95 -1.09 0