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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