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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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298743 117655345 1 N2O6H22C25 A2B6C22D25 -174.32 1.95 -9.64 -0.92 0
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298744 117655349 2 ClHIC3 ABCD3 49.9 1.92 -9.67 -1.62 0
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298745 117655386 1 OF3N3C17H22 AB3C3D17E22 -188.48 5.74 -8.5 -0.58 0
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298746 117655388 1 NO3C11H13 AB3C11D13 41.43 5.59 -8.48 -0.44 1
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298747 117655397 1 NPO6C39H77 ABC6D39E77 -431.15 4.9 0.0 0.0 1
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298748 117655398 1 NPO6C39H77 ABC6D39E77 -436.09 4.65 0.0 0.0 0
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298749 117655402 1 ClON2C8H9 ABC2D8E9 -29.79 4.92 -8.72 -0.28 0
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298750 117655407 1 BrNO5H12C15 ABC5D12E15 -147.87 4.67 -9.39 -0.73 0
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298751 117655411 1 FSN2O4H17C18 ABC2D4E17F18 -90.62 3.56 -8.89 -1.05 0
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298752 117655419 1 BrPO3C28H30 ABC3D28E30 -51.19 3.02 -8.48 0.1 0
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298753 117655420 1 PO3C28H29 AB3C28D29 -28.78 4.21 -8.28 0.24 0
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298754 117655421 1 ClON5C26H34 ABC5D26E34 16.02 4.93 -8.66 -0.72 0
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298755 117655786 1 ClNO2C10H10 ABC2D10E10 -68.11 4.08 -9.98 -0.7 0
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298756 117655892 1 NO4C15H27 AB4C15D27 -236.38 5.45 -9.73 0.19 0
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298757 117655896 2 NC12H17 AB12C17 20.15 1.67 -8.15 0.34 0
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298759 117655930 2 ON2C7H11 AB2C7D11 -49.83 2.23 -9.5 -0.49 0
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298760 117655956 2 NO4C8H15 AB4C8D15 -414.08 2.99 -10.05 0.52 0
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298761 117655985 1 O3F5N5C20H20 A3B5C5D20E20 -228.75 4.45 -9.29 -1.01 0
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298762 117656047 1 SN4C24H38 AB4C24D38 -1.53 3.4 -8.87 -0.27 0
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298763 117656057 2 NOC4H5 ABC4D5 -36.35 1.0 -9.92 -1.0 0
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298764 117656058 1 NO2C8H11 AB2C8D11 -77.62 4.39 -9.74 -0.48 0
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298765 117656059 1 NC9H13 AB9C13 15.3 1.04 -8.16 0.9 0
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298766 117656201 1 OCl2F4N8C29H38 AB2C4D8E29F38 -182.13 4.93 -7.64 -0.44 0
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298768 117656393 1 O3N5C40H59 A3B5C40D59 -115.67 5.64 -8.38 0.71 0
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298771 117656433 2 NOH12C15 ABC12D15 74.35 6.48 -8.05 -1.44 0
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298772 117656437 1 OH16C19 AB16C19 18.74 2.28 -8.71 -0.19 0
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298773 117656447 1 BrOH33C45 ABC33D45 139.68 2.31 -8.18 -0.95 0
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298774 117656456 1 OH24C36 AB24C36 118.14 1.23 -8.87 -0.59 0
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298775 117656509 1 N2O3C19H22 A2B3C19D22 -85.71 4.8 -9.68 -0.66 0
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298776 117656535 1 N3O3C24H31 A3B3C24D31 -98.19 7.0 -8.58 -1.64 0
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298777 117656537 1 O3N8C28H30 A3B8C28D30 -3.94 7.65 -8.26 -0.96 0
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298778 117656541 1 O3N7C26H27 A3B7C26D27 2.72 3.88 -8.31 -0.99 0
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298779 117656546 1 N3C14H21 A3B14C21 47.47 2.18 -8.27 -0.02 0
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298780 117656655 1 O2N7C25H25 A2B7C25D25 62.45 2.88 -8.48 -0.92 0
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298781 117656667 1 O4N5C9H11 A4B5C9D11 21.51 3.16 -8.95 -1.21 0
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298782 117656685 1 SN5C8H11 AB5C8D11 82.14 3.82 -8.83 -1.4 0
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298783 117656767 1 NCl2O4C26H31 AB2C4D26E31 -175.71 5.91 -9.5 -0.57 0
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298784 117656769 1 NCl2O4C27H35 AB2C4D27E35 -193.42 1.52 -9.47 -0.34 0
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298785 117656783 1 NCl2O2C23H23 AB2C2D23E23 -48.78 2.42 -9.56 -0.5 0
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298786 117656800 1 FOC12H23 ABC12D23 -132.29 1.92 -10.45 1.96 0
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298787 117656805 1 O4N6C29H36 A4B6C29D36 -46.31 5.43 -8.93 -1.09 0
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298788 117656813 1 NOSF3C12H16 ABCD3E12F16 -198.21 4.4 -8.42 -0.19 0
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298789 117656846 1 N5O16C44H81 A5B16C44D81 -781.52 3.38 -9.9 0.35 0
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298790 117656853 1 SN2F6C15H18 AB2C6D15E18 -309.11 6.03 -8.74 -0.48 0
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298791 117656860 1 OSBr2N2F6H6C10 ABC2D2E6F6G10 -295.96 5.29 -9.24 -1.34 0
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298792 117656877 1 OSCl2F3N3H12C15 ABC2D3E3F12G15 -126.36 3.45 -8.98 -1.0 0
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298793 117656899 1 NOC12H27 ABC12D27 -91.95 0.47 -8.91 2.29 0
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298794 117656901 1 PC2S3H9 AB2C3D9 -61.29 4.85 -8.9 -0.14 0
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298795 117656906 1 NO4H11C12 AB4C11D12 -111.67 6.28 -10.1 -1.56 0
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298796 117656907 1 O3C11H14 A3B11C14 -94.1 2.55 -9.68 -0.81 0