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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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225839 87235637 1 O2N3H9C10 A2B3C9D10 23.23 1.71 -8.96 -1.05 0
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225840 87235638 1 NiPO3C21H21 ABC3D21E21 -128.62 2.15 -8.13 -0.49 1
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225841 87235640 1 F3N3O5H21C30 A3B3C5D21E30 -148.64 3.25 0.0 0.0 0
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225842 87235641 1 N3O4F6H17C29 A3B4C6D17E29 -345.81 7.37 -8.77 -1.43 0
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225843 87235647 1 SN3O6C21H23 AB3C6D21E23 -125.09 5.9 -8.81 -1.01 0
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225844 87235648 1 PN2O3C5H13 AB2C3D5E13 -177.52 4.71 -9.65 -0.68 0
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225845 87235659 1 N3O4C20H29 A3B4C20D29 -138.33 3.1 -8.72 -0.45 0
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225846 87235660 1 N3O5C23H35 A3B5C23D35 -197.03 3.14 -8.63 -0.32 0
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225847 87235682 1 SCl2N2O4C20H20 AB2C2D4E20F20 -116.69 4.73 -8.48 -1.16 0
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225848 87235685 1 NPO3C37H74 ABC3D37E74 -230.27 14.39 -6.3 -0.62 1
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225849 87235686 1 NPO3C37H75 ABC3D37E75 -245.61 4.72 0.0 0.0 1
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225850 87235690 1 NPO3C39H79 ABC3D39E79 -252.78 3.07 0.0 0.0 0
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225851 87235691 1 NO9C16H19 AB9C16D19 -197.44 3.35 -9.46 -1.38 0
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225852 87235750 1 S3N5O6C20H23 A3B5C6D20E23 -161.23 3.19 -8.85 -1.14 0
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225853 87235752 1 NO5C22H27 AB5C22D27 -172.04 5.91 -9.58 -0.65 0
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225854 87235756 1 NO2C11H23 AB2C11D23 -127.54 2.82 -9.43 1.15 0
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225855 87235758 1 NPO8C26H32 ABC8D26E32 -291.27 5.67 -9.2 -0.54 0
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225856 87235763 1 ON2C25H42 AB2C25D42 -137.49 5.42 -9.36 1.44 0
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225857 87235769 1 NSO5C22H27 ABC5D22E27 -162.38 2.53 -9.25 -0.07 0
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225858 87235771 1 NO2C12H25 AB2C12D25 -136.07 2.72 -9.22 1.45 0
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225859 87235775 1 S2O5N6C20H20 A2B5C6D20E20 -128.55 4.87 -9.09 -1.63 0
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225860 87235776 1 PSN6O10C48H57 ABC6D10E48F57 -297.11 12.14 -8.54 -0.69 0
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225861 87235779 1 O2C31H48 A2B31C48 -149.07 1.92 -8.69 0.22 0
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225862 87235782 6 OC3H5 AB3C5 -246.35 5.79 -10.32 0.34 0
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225863 87235785 1 SN5O6C22H23 AB5C6D22E23 -162.29 4.81 -8.65 -1.36 0
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225864 87235788 1 SN4O6H16C19 AB4C6D16E19 -152.74 4.02 -9.47 -1.38 0
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225865 87235827 1 S2N7O7C23H29 A2B7C7D23E29 -244.29 2.03 -9.07 -1.16 0
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225866 87235828 1 N4O6F9H33C36 A4B6C9D33E36 -648.47 2.11 -9.26 -1.15 0
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225867 87235832 1 N4O8C25H36 A4B8C25D36 -287.71 5.49 -8.66 -1.12 0
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225869 87235839 1 SN4O4H22C24 AB4C4D22E24 -69.45 1.63 -8.66 -0.92 0
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225870 87235856 1 ON3C21H23 AB3C21D23 11.87 6.51 -8.81 0.07 0
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225871 87235859 1 OS3C7H12 AB3C7D12 -50.23 1.52 -8.74 -0.22 0
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225872 87235872 1 PSiO8C24H41 ABC8D24E41 -452.33 1.56 -9.22 -0.86 0
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225873 87235875 2 O2C11H16 A2B11C16 -140.73 5.9 -8.91 -1.13 0
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225874 87235878 1 O5C13H14 A5B13C14 -193.59 2.96 -9.4 -1.07 0
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225875 87235886 1 NPSiO8C27H44 ABCD8E27F44 -431.95 3.84 -9.18 -0.66 0
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225876 87235892 1 Br2Cl3S3O8N9H62C72 A2B3C3D8E9F62G72 -142.76 16.07 -8.84 -1.2 0
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225877 87235895 1 S2N4O6C21H24 A2B4C6D21E24 -205.8 3.82 -9.31 -1.42 0
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225878 87235897 1 S2N3O3H21C24 A2B3C3D21E24 34.48 7.21 -8.53 -1.57 0
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225879 87235904 1 N5O7F9C34H34 A5B7C9D34E34 -671.21 4.69 -9.44 -1.16 0
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225880 87235919 1 NO5C21H27 AB5C21D27 -193.46 11.03 -9.56 -0.15 0
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225881 87235922 1 S2N4O4C19H20 A2B4C4D19E20 -95.37 4.74 -8.67 -1.29 1
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225882 87235924 1 NPO3C35H71 ABC3D35E71 -234.97 5.35 0.0 0.0 0
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225883 87235925 1 ClN3O4H24C30 AB3C4D24E30 -19.71 8.69 -8.38 -1.65 0
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225884 87235926 1 OCl2F5N6H31C38 AB2C5D6E31F38 -129.92 3.97 -8.31 -0.79 0
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225885 87235927 1 BrS2N4O4H15C21 AB2C4D4E15F21 -51.85 7.09 -8.72 -1.41 0
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225886 87235929 2 CClNH3 ABCD3 -31.15 3.06 -10.18 -0.18 0
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225887 87235930 1 ClC2N2H5 AB2C2D5 13.75 4.39 -9.76 0.49 0
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225888 87235931 1 BrS2N4O4H17C21 AB2C4D4E17F21 -58.43 4.36 -8.52 -1.08 0
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225889 87235933 1 FN2O5C11H11 AB2C5D11E11 -205.26 4.51 -10.16 -0.71 0