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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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40803 8144725 1 N2O5C22H33 A2B5C22D33 -197.69 4.74 0.0 0.0 0
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40804 8144727 1 BrO2N3C20H22 AB2C3D20E22 -27.67 2.48 -9.37 -0.59 1
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40805 8144728 1 ClN2O2C21H22 AB2C2D21E22 -19.75 8.61 0.0 0.0 1
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40806 8144730 1 N4O4C14H19 A4B4C14D19 -98.35 5.2 0.0 0.0 0
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40807 8144733 1 FN2O2C21H21 AB2C2D21E21 -60.88 5.13 -9.18 -1.53 0
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40808 8144735 1 OSN5C23H29 ABC5D23E29 47.68 2.45 -8.5 -0.95 1
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40809 8144736 1 Br2O2N4C12H13 A2B2C4D12E13 -19.07 10.13 0.0 0.0 0
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40810 8144737 2 BrON2C6H6 ABC2D6E6 -33.29 5.65 -9.57 -1.35 0
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40811 8144738 1 BrSO2N4H11C16 ABC2D4E11F16 116.82 8.49 -9.1 -1.49 1
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40812 8144739 1 SN5C21H26 AB5C21D26 114.09 4.41 0.0 0.0 1
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40813 8144743 1 SN5C20H26 AB5C20D26 95.05 9.01 0.0 0.0 0
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40814 8144744 1 SN5C20H25 AB5C20D25 81.34 1.98 -8.34 -0.94 0
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40815 8144745 1 N2O3C22H24 A2B3C22D24 -90.3 6.5 -9.2 -1.42 0
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40816 8144747 1 SN4C20H28 AB4C20D28 42.06 4.47 -8.11 0.14 1
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40817 8144748 1 O2N3C22H32 A2B3C22D32 -66.6 2.22 0.0 0.0 0
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40818 8144749 1 O2N3C22H31 A2B3C22D31 -91.03 1.67 -8.9 0.34 0
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40819 8144751 1 SO2N4C16H24 AB2C4D16E24 -80.49 2.17 -8.83 -1.06 0
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40820 8144752 1 SO2N3H17C24 AB2C3D17E24 64.34 7.01 -8.49 -1.22 1
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40821 8144753 1 O2N3C23H28 A2B3C23D28 -25.57 2.29 0.0 0.0 0
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40822 8144758 1 SO2N4C16H24 AB2C4D16E24 -82.89 5.2 -8.58 -0.76 1
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40823 8144759 1 O2N3C24H30 A2B3C24D30 -30.02 2.95 0.0 0.0 1
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40824 8144761 1 O2N3C24H30 A2B3C24D30 -29.53 2.3 0.0 0.0 0
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40825 8144762 1 O2N3C24H29 A2B3C24D29 -52.78 1.79 -8.95 -0.03 0
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40826 8144764 1 O2N3C27H29 A2B3C27D29 -30.03 1.55 -8.99 -0.79 0
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40827 8144766 1 O2N3C27H29 A2B3C27D29 -30.04 1.52 -8.99 -0.79 0
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40828 8144768 1 O2N3C22H33 A2B3C22D33 -104.26 2.14 -8.96 0.26 1
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40829 8144769 1 O2N3C22H34 A2B3C22D34 -80.34 2.27 0.0 0.0 0
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40830 8144772 1 O2N3C27H29 A2B3C27D29 -32.2 1.5 -8.96 -0.62 0
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40831 8144776 1 O2S2N4C15H16 A2B2C4D15E16 -20.0 2.53 -8.79 -1.2 0
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40832 8144778 1 O2N3C25H37 A2B3C25D37 -109.85 2.07 -8.93 0.3 1
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40833 8144786 1 O2N3C22H32 A2B3C22D32 -73.18 2.78 0.0 0.0 0
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40834 8144790 1 O2N3C22H31 A2B3C22D31 -95.42 1.82 -8.92 0.29 1
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40835 8144791 1 SO2N4C16H23 AB2C4D16E23 -60.89 3.32 0.0 0.0 0
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40836 8144794 1 O2N3C22H31 A2B3C22D31 -96.89 1.64 -8.93 0.34 1
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40837 8144797 1 O2N4C18H25 A2B4C18D25 42.51 9.8 0.0 0.0 0
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40838 8144798 2 ON2C9H12 AB2C9D12 24.23 8.11 -9.56 -0.49 0
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40839 8144800 1 SO2N4C16H22 AB2C4D16E22 -75.83 2.67 -8.74 -1.02 1
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40840 8144801 1 N2O2C22H25 A2B2C22D25 -11.47 15.78 0.0 0.0 0
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40841 8144804 1 N3O4C21H21 A3B4C21D21 -25.8 4.71 -9.1 -1.84 1
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40842 8144807 1 N2O2C21H27 A2B2C21D27 -44.1 2.32 0.0 0.0 0
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40843 8144808 1 N2O2C21H26 A2B2C21D26 -63.27 1.49 -8.83 0.2 1
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40844 8144809 1 SO2N4C16H23 AB2C4D16E23 -57.7 3.88 0.0 0.0 1
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40845 8144820 1 FSN4C22H26 ABC4D22E26 55.19 4.32 0.0 0.0 1
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40846 8144822 1 SO2N4C18H21 AB2C4D18E21 -22.3 4.71 0.0 0.0 1
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40847 8144830 1 SN4C23H29 AB4C23D29 92.35 4.69 0.0 0.0 0
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40848 8144831 1 SN4C23H28 AB4C23D28 73.72 4.66 -8.32 -0.29 1
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40849 8144836 1 O2N3C26H34 A2B3C26D34 -40.77 2.75 0.0 0.0 0
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40850 8144837 1 O2N3C26H33 A2B3C26D33 -60.52 1.29 -8.9 0.04 1
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40851 8144842 1 OSN4C23H29 ABC4D23E29 63.14 5.6 0.0 0.0 1
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40852 8144844 1 OSN4C23H29 ABC4D23E29 61.71 7.14 0.0 0.0 0