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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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125808 50939530 1 O5C37H50 A5B37C50 -248.16 8.08 -9.59 -0.1 0
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125809 50939531 1 NO4C33H51 AB4C33D51 -246.18 12.18 -9.52 0.13 0
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125811 50939635 1 ClOF2N5C18H18 ABC2D5E18F18 -57.28 1.88 -9.07 -0.42 0
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125812 50939636 1 ClO2F3N3H11C20 AB2C3D3E11F20 -129.16 6.28 -9.62 -1.7 1
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125813 50939637 1 ClO2F3N3H12C20 AB2C3D3E12F20 -121.51 6.4 0.0 0.0 0
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125814 50939975 1 N7O7C28H39 A7B7C28D39 -280.78 8.59 -8.54 -0.05 0
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125815 50939976 1 N11O12C41H73 A11B12C41D73 -586.9 12.03 -9.65 -1.1 0
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125816 50940255 1 ClO5N6H23C26 AB5C6D23E26 -42.98 11.24 -9.44 -0.88 0
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125817 50940451 1 SN3O3C23H25 AB3C3D23E25 -48.7 7.48 -8.77 -0.82 0
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125818 50940492 1 ON6H14C17 AB6C14D17 59.77 6.62 -8.27 -1.24 0
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125819 50940559 1 O5C26H42 A5B26C42 -252.31 4.31 -8.65 -0.02 0
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125820 50940560 1 SO2N4C16H20 AB2C4D16E20 -13.02 3.01 -9.64 -1.54 0
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125821 50940561 1 SO2N4C16H20 AB2C4D16E20 -12.56 2.64 -9.58 -1.62 0
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125822 50940641 1 SP2Na5C6H9O15 AB2C5D6E9F15 -1034.28 17.94 -8.73 0.48 0
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125823 50940642 1 SP2C6H14O15 AB2C6D14E15 -782.27 6.7 -11.08 -1.65 0
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125824 50940643 1 BrNO3C18H20 ABC3D18E20 -111.23 3.73 -9.01 -0.64 0
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125825 50940831 1 NOC14H19 ABC14D19 -34.86 3.29 -8.72 0.04 0
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125826 50940832 1 ON2C16H24 AB2C16D24 -45.05 1.59 -8.58 0.21 0
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125827 50940891 1 O2N3H17C18 A2B3C17D18 3.49 2.21 -8.69 -0.52 0
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125828 50940892 1 S2N3H17C18 A2B3C17D18 84.57 1.36 -8.38 -0.78 0
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125829 50940893 1 O2N3H17C20 A2B3C17D20 4.68 2.72 -9.58 -1.26 0
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125830 50940894 1 F2N3H11C16 A2B3C11D16 -9.49 4.14 -9.41 -0.96 0
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125831 50940895 1 Cl2N3H11C16 A2B3C11D16 66.98 4.36 -9.36 -1.06 0
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125832 50940896 1 O2N3H17C18 A2B3C17D18 10.8 4.09 -8.7 -0.35 0
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125833 50940995 2 OC8H10 AB8C10 -44.17 1.37 -9.54 0.26 0