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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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161477 57391769 1 OCl2N3H15C17 AB2C3D15E17 -0.13 1.39 -9.09 -0.7 0
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161478 57391771 1 N3O3F7H24C25 A3B3C7D24E25 -462.16 3.34 -9.35 -1.28 1
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161479 57391774 1 SN2O2C27H37 AB2C2D27E37 -29.01 2.96 0.0 0.0 1
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161480 57391775 1 FN2O2C29H38 AB2C2D29E38 -76.93 0.54 0.0 0.0 0
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161481 57391776 1 FISO2N4C22H26 ABCD2E4F22G26 -89.95 5.36 -8.74 -1.24 0
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161482 57391777 1 NC16H21 AB16C21 -9.51 1.35 -9.06 0.51 0
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161483 57391778 1 FN4H21C25 AB4C21D25 93.83 3.86 -8.51 -0.75 0
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161484 57391779 1 SN2O2C18H32 AB2C2D18E32 -81.41 3.95 -8.71 -0.72 0
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161486 57391787 1 N3O5C33H47 A3B5C33D47 -182.7 6.46 -8.68 -0.76 0
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161487 57391791 1 N2O13C40H60 A2B13C40D60 -476.15 9.04 -9.21 -1.39 0
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161488 57391792 1 ClSN3O3C28H30 ABC3D3E28F30 -68.23 3.5 -8.94 -0.68 0
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161489 57391797 1 SF3N3O4C23H26 AB3C3D4E23F26 -295.32 7.2 -9.33 -1.16 0
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161490 57391798 1 BrNO5H18C21 ABC5D18E21 -52.66 3.66 -9.02 -1.54 0
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161491 57391799 1 SCl2N2O6H24C25 AB2C2D6E24F25 -206.57 4.7 -9.17 -1.34 0
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161492 57391805 1 O2N8C25H28 A2B8C25D28 35.03 5.87 -8.53 -0.83 0
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161493 57391806 1 O2N8C27H28 A2B8C27D28 54.79 6.35 -8.51 -0.75 0
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161494 57391808 1 NO3C18H23 AB3C18D23 -133.92 8.64 -8.95 -0.81 0
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161495 57391811 1 S2N17O17C70H97 A2B17C17D70E97 -740.14 15.04 -8.33 -0.38 0
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161496 57391813 1 O3N4H18C22 A3B4C18D22 14.39 2.92 -9.14 -1.08 0
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161497 57391820 1 ClNO3C26H32 ABC3D26E32 -120.08 5.0 -8.56 -0.2 0
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161498 57391821 1 NO3C26H31 AB3C26D31 -87.34 6.7 -8.39 0.03 0
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161499 57391822 1 NCl2O3C26H31 AB2C3D26E31 -127.21 3.17 -8.65 -0.28 0
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161500 57391827 2 ClNC7H8 ABC7D8 4.46 6.49 -8.93 -0.58 0
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161501 57391829 1 S2N4O4C17H26 A2B4C4D17E26 -103.42 5.4 -8.59 -0.78 0
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161502 57391833 1 ON6H18C24 AB6C18D24 106.87 7.02 -9.01 -0.88 0