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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
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180842 76693620 1 SN5O5C22H37 AB5C5D22E37 -262.19 6.65 -9.14 -0.02 0
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180843 76693621 1 SN4O5C17H20 AB4C5D17E20 -144.73 5.4 -9.36 -0.45 0
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180844 76693622 1 SN4O5C15H20 AB4C5D15E20 -185.66 6.2 -9.4 -0.19 0
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180845 76693856 1 Cl2O5N9H25C26 A2B5C9D25E26 -64.79 4.92 -8.61 -1.67 0
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180846 76694395 1 SiN2O4C37H56 AB2C4D37E56 -259.71 4.68 -8.87 -0.14 0
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180847 76694407 1 SiN2O4C30H46 AB2C4D30E46 -218.05 3.7 -8.93 -0.14 0
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180850 76694593 1 Na2S3N4O9C14H14 A2B3C4D9E14F14 -394.03 17.23 -8.07 -1.28 0
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180851 76694594 1 FNa2S2O7N9C20H20 AB2C2D7E9F20G20 -343.13 8.21 -8.86 -0.86 -3
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180853 76694694 1 N3O5C29H36 A3B5C29D36 -62.55 45.14 0.0 0.0 2
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180854 76694695 1 N3O5C29H37 A3B5C29D37 -67.1 6.62 -4.5 -0.78 0
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180855 76694696 1 N3O8H27C29 A3B8C27D29 -150.98 8.4 -8.13 -1.89 1
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180856 76694697 1 N5O12C44H44 A5B12C44D44 -207.72 9.62 0.0 0.0 0
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180857 76694698 1 N3O5C29H39 A3B5C29D39 -141.89 11.7 -8.34 -0.22 1
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180858 76694699 1 N3O5C29H40 A3B5C29D40 -123.66 5.66 0.0 0.0 -1
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180859 76695116 1 IrN3H12C14 AB3C12D14 283.02 29.3 -9.65 -7.23 0
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180860 76695484 1 ClNO3C21H36 ABC3D21E36 -176.6 6.48 -9.3 0.41 0
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180861 76695842 1 ClFN3O4H25C28 ABC3D4E25F28 -137.05 4.83 -9.55 -1.04 0
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180862 76696596 1 ClFSN3O4C25H25 ABCD3E4F25G25 -153.17 4.02 -9.34 -0.67 0
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180863 76696666 1 N6O6C29H32 A6B6C29D32 -150.8 2.52 -8.72 -1.04 0
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180864 76696887 1 N4O4C21H34 A4B4C21D34 -157.5 6.98 -8.36 -0.44 0
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180865 76696888 1 N3O5C22H35 A3B5C22D35 -207.35 5.26 -8.21 -0.2 0
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180866 76696889 1 N4O4C23H34 A4B4C23D34 -146.3 7.31 -8.35 -0.4 0
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180867 76697400 1 NO2F9H24C26 AB2C9D24E26 -530.41 2.37 -9.51 -1.35 0
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180868 76697401 1 NO2F9H24C26 AB2C9D24E26 -525.12 2.85 -9.62 -1.35 -2
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180869 76697555 1 N2Te2O3H16C23 A2B2C3D16E23 46.46 16.8 -7.11 -2.55 0