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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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180816 76690435 1 IrSYN5C17H23 ABCD5E17F23 155.17 32.64 -9.29 -3.91 0
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180817 76690436 1 SN5C16H21 AB5C16D21 71.74 6.18 -8.07 -0.43 -2
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180818 76690457 1 IrYN2C37H46 ABC2D37E46 9.09 38.97 -9.14 -4.9 -1
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180819 76690464 1 IrYN3H12C15 ABC3D12E15 127.51 13.83 0.0 0.0 0
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180820 76690521 1 Li2F3N6H17C21 A2B3C6D17E21 -30.79 7.59 -8.64 -0.91 0
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180821 76691106 1 N5O7C38H51 A5B7C38D51 -298.45 4.35 -9.02 0.29 0
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180822 76691228 1 SO3N4C17H34 AB3C4D17E34 -162.76 2.93 -8.81 0.27 0
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180823 76691229 1 N2O2C19H36 A2B2C19D36 -133.89 4.0 -8.65 0.58 0
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180824 76691389 1 OC12H22 AB12C22 -89.95 2.27 -9.89 2.98 -1
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180826 76691414 1 O3C12H20 A3B12C20 -108.44 2.12 -9.27 1.49 0
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180827 76691440 1 PN2O4C16H27 AB2C4D16E27 -150.53 4.73 -9.18 0.63 0
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180828 76691676 1 O3N6C23H30 A3B6C23D30 -82.25 4.4 -8.5 -0.46 0
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180829 76691712 1 O2N5C18H21 A2B5C18D21 -15.43 4.63 -8.64 -1.36 0
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180830 76692172 1 OF3N3C19H24 AB3C3D19E24 -205.34 5.16 -8.95 -0.62 0
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180831 76692320 1 N2O2H14C19 A2B2C14D19 99.09 6.87 -9.07 -1.49 0
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180832 76693058 1 NO2C24H37 AB2C24D37 -74.04 2.0 -9.51 0.36 0
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180833 76693059 1 N3O6C19H27 A3B6C19D27 -238.73 7.11 -10.08 -1.0 0
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180834 76693060 1 NO3C13H17 AB3C13D17 -99.47 2.61 -9.74 -1.5 0
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180835 76693061 1 N2O4C19H28 A2B4C19D28 -142.08 4.41 -9.55 -0.93 0
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180836 76693062 1 N2O5C28H44 A2B5C28D44 -214.65 7.46 -9.73 0.26 0
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180837 76693063 1 SO2N3C16H23 AB2C3D16E23 -57.84 4.18 -8.95 -0.81 0
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180838 76693065 1 NO2C26H39 AB2C26D39 -61.41 1.82 -9.43 0.32 0
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180839 76693066 1 SN3O6C23H29 AB3C6D23E29 -223.61 3.86 -9.49 -1.05 0
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180840 76693303 1 N6O14C55H74 A6B14C55D74 -554.85 6.24 -8.6 -1.43 0
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180841 76693619 1 ClN2F3O5H22C29 AB2C3D5E22F29 -293.37 5.86 -9.06 -0.81 0