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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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125780 50937877 1 SN3O3C22H33 AB3C3D22E33 -129.21 3.69 -8.19 0.19 0
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125781 50937878 1 BrFNO3C16H17 ABCD3E16F17 -160.56 4.2 -9.2 -0.66 1
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125782 50937966 1 ClFON3C22H26 ABCD3E22F26 -56.71 2.66 0.0 0.0 2
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125783 50938006 1 ON3C19H37 AB3C19D37 -71.3 3.61 -8.6 1.06 0
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125784 50938276 1 NSO4C13H15 ABC4D13E15 -167.19 3.18 -8.95 -0.67 0
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125785 50938395 1 N2O5C24H30 A2B5C24D30 -152.08 5.8 -8.74 -0.76 0
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125786 50938497 1 ClN2O3C20H23 AB2C3D20E23 -84.79 3.16 -8.94 -0.12 -1
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125787 50938498 1 SN2O3H11C14 AB2C3D11E14 -4.62 4.71 0.0 0.0 0
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125789 50938728 1 Cl2N5O6C12H15 A2B5C6D12E15 -230.69 6.87 -8.95 -0.68 0
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125790 50938742 1 ClN2O8C35H43 AB2C8D35E43 -301.27 6.83 -8.86 -0.2 0
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125791 50938743 1 Cl2N2O8C35H44 A2B2C8D35E44 -345.77 6.6 -9.01 -0.29 0
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125792 50938744 1 ClN5C17H18 AB5C17D18 49.66 5.11 -9.18 -1.08 0
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125793 50938745 1 NO3C18H23 AB3C18D23 -97.76 4.34 -8.13 0.3 0
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125794 50938746 1 NO4C18H23 AB4C18D23 -125.66 2.37 -8.28 0.13 0
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125795 50938747 1 FCl2O2N4H23C25 AB2C2D4E23F25 -74.67 6.88 -8.32 -1.09 0
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125796 50938819 1 O7N8C32H48 A7B8C32D48 -283.13 3.49 -9.13 -0.26 0
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125798 50938988 1 FCl2O3N4H25C27 AB2C3D4E25F27 -125.04 6.56 -8.39 -1.12 0
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125799 50939095 1 O3N6H26C30 A3B6C26D30 45.27 9.47 -8.53 -0.87 0
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125800 50939119 1 Cl2N2O2H10C13 A2B2C2D10E13 -16.18 7.44 -9.1 -1.33 0
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125801 50939120 1 ClN2O2F3H10C14 AB2C2D3E10F14 -166.72 7.51 -9.1 -1.44 0
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125803 50939155 1 F3O6C22H25 A3B6C22D25 -386.74 3.8 -9.16 -0.16 0
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125804 50939224 1 FON5H14C18 ABC5D14E18 28.16 5.85 -9.0 -0.81 0
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125805 50939352 1 ClFO4N5C12H13 ABC4D5E12F13 -146.64 3.06 -9.61 -0.67 0
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125806 50939428 1 NO4H19C20 AB4C19D20 -99.52 3.53 -8.66 -0.45 0
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125807 50939515 1 SN5F6O8C35H41 AB5C6D8E35F41 -573.72 5.07 -9.03 -1.16 0