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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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391760 135009312 1 C2H3N4 A2B3C4 103.07 1.94 0.0 0.0 0
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391761 135009314 1 N2O4H22C23 A2B4C22D23 -86.01 2.25 -8.42 -0.7 0
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391762 135009315 1 N4O11C48H64 A4B11C48D64 -472.79 1.9 -9.36 -0.05 0
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391763 135009324 1 BrO9H29C32 AB9C29D32 -288.29 4.48 -9.28 -1.67 0
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391764 135009326 1 SiO4C20H32 AB4C20D32 -197.41 5.02 -8.85 0.09 0
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391765 135009327 1 O2C9H14 A2B9C14 -105.08 4.2 -10.15 0.38 0
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391766 135009328 1 Br2O2H10C11 A2B2C10D11 -40.2 4.39 -9.88 -1.0 0
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391767 135009347 1 O2N4C11H18 A2B4C11D18 3.97 4.75 -9.65 -0.08 1
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391768 135009363 1 N3O4C17H20 A3B4C17D20 -86.25 2.41 0.0 0.0 0
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391769 135009364 1 BrN3O4C16H16 AB3C4D16E16 -88.0 3.97 -8.91 -0.83 0
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391770 135009370 2 OC10H10 AB10C10 6.24 5.17 -8.8 -0.77 0
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391771 135009372 8 H2C3 A2B3 181.1 1.22 -8.98 -0.55 0
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391772 135009375 2 O5C6H10 A5B6C10 -437.91 3.18 -10.21 0.3 0
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391774 135009440 1 N3O4C13H13 A3B4C13D13 -31.38 3.84 -9.8 -1.83 0
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391775 135009448 1 NF3H14C17 AB3C14D17 -113.53 4.64 -8.58 -0.69 0
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391776 135009449 1 NCl2O3H11C15 AB2C3D11E15 -47.94 2.31 -9.32 -0.94 0
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391777 135009458 1 O7C31H34 A7B31C34 -207.18 4.88 -9.48 -0.04 0
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391778 135009459 1 O7C38H40 A7B38C40 -179.37 4.56 -9.38 0.07 0
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391779 135009461 1 SiO3N4C18H34 AB3C4D18E34 -123.62 2.86 -8.9 0.08 0
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391780 135009467 1 N4O5C24H32 A4B5C24D32 -89.5 7.6 -9.24 -1.46 0
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391781 135009498 1 BrNO2H16C17 ABC2D16E17 -38.93 3.02 -8.54 -0.27 1
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391782 135009501 1 SN2O3C16H21 AB2C3D16E21 -108.75 6.29 0.0 0.0 0
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391784 135009582 1 NO2H15C20 AB2C15D20 -15.72 3.05 -8.41 -0.9 0
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391785 135009604 1 NOC17H27 ABC17D27 -20.47 3.87 -9.47 0.92 0
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391787 135009607 3 OC4H6 AB4C6 -134.52 0.75 -9.12 0.97 0
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391788 135009612 1 NSO5H17C18 ABC5D17E18 -133.1 1.54 -9.21 -0.81 0
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391789 135009613 1 O3C14H24 A3B14C24 -153.64 2.96 -9.2 -0.05 0
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391790 135009627 1 NO2Cl3F3H7C8 AB2C3D3E7F8 -234.36 9.08 -9.83 -1.04 0
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391791 135009629 2 O3C8H14 A3B8C14 -289.02 3.11 -9.66 0.25 0
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391792 135009638 1 NSO3C14H17 ABC3D14E17 -78.08 7.86 -9.38 -0.66 0
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391793 135009678 1 ON3C20H23 AB3C20D23 26.84 1.3 -8.46 -0.53 0
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391794 135009679 1 ON3C25H27 AB3C25D27 50.96 1.79 -8.4 -0.99 0
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391795 135009681 1 INO2C12H14 ABC2D12E14 -17.8 1.64 -9.26 -1.35 0
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391796 135009682 1 SN2C13H14 AB2C13D14 95.08 7.57 -8.56 -0.42 0
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391797 135009683 1 NOC7H11 ABC7D11 -28.59 3.97 -10.14 0.35 0
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391798 135009684 1 P2O7C21H30 A2B7C21D30 -385.42 3.05 -9.0 -0.2 0
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391799 135009686 1 OPN2H11C15 ABC2D11E15 59.65 2.92 -8.91 -1.24 0
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391800 135009706 1 NSiO2C25H31 ABC2D25E31 -28.69 2.94 -8.71 -0.47 0
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391801 135009707 1 FNO2C22H22 ABC2D22E22 -28.08 2.89 -9.31 -0.56 0
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391802 135009717 1 BSiO2C11H21 ABC2D11E21 -66.46 2.84 -8.01 0.32 0
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391803 135009718 1 BrOSiC22H25 ABCD22E25 7.95 1.58 -9.0 -0.16 0
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391805 135009736 1 NSO6C40H41 ABC6D40E41 -108.57 3.35 -8.4 -0.37 0
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391807 135009742 2 OC7H9 AB7C9 -98.11 1.14 -9.0 0.24 0
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391808 135009743 1 SO2F3H15C23 AB2C3D15E23 -96.53 4.97 -9.48 -0.9 0
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391809 135009747 1 Si2O4C41H54 A2B4C41D54 -120.5 1.52 -8.73 0.06 0
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391810 135009751 1 FNO2H20C21 ABC2D20E21 -26.29 4.09 -9.36 -0.63 0
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391811 135009752 1 FNO3C17H22 ABC3D17E22 -127.84 1.28 -9.4 0.04 0
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391812 135009754 1 NSiO2C24H29 ABC2D24E29 -21.97 2.54 -8.99 -0.51 0
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391813 135009755 1 NSiO3C22H27 ABC3D22E27 -73.77 2.67 -9.14 0.04 0
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391814 135009802 1 PdC2P2H10 AB2C2D10 57.66 1.46 -7.21 1.91 0
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391815 135009803 1 CPPdH5 ABCD5 45.68 1.2 -7.39 2.41 1
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391816 135009821 1 BrN3O4C16H17 AB3C4D16E17 -71.4 2.33 0.0 0.0 0
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391817 135009826 1 N2P2O7C19H34 A2B2C7D19E34 -417.79 4.76 -9.54 -0.31 0
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391818 135009836 1 P2N3O6C19H43 A2B3C6D19E43 -403.37 3.18 -8.45 0.83 0
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391819 135009854 1 LiNF3H5C10 ABC3D5E10 -84.57 9.73 -7.54 -0.41 0
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391820 135009856 1 NF3O4H12C14 AB3C4D12E14 -265.68 3.33 -9.94 -1.54 0
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391821 135009891 1 NSO4C20H21 ABC4D20E21 -91.75 7.88 -9.14 -0.6 0
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391822 135009934 1 N5O8H33C40 A5B8C33D40 -155.65 4.99 -9.3 -0.88 0
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391823 135009946 1 NO2C7H13 AB2C7D13 -98.23 2.72 -10.19 0.46 0
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391824 135009953 1 BrN3O3H16C20 AB3C3D16E20 1.87 2.79 -8.74 -0.76 1
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391825 135009954 1 BrN3O3H17C20 AB3C3D17E20 0.78 4.36 0.0 0.0 0
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391826 135009992 1 NSO5C17H19 ABC5D17E19 -116.6 4.56 -8.38 0.01 0
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391827 135009996 1 O4C29H40 A4B29C40 -127.1 4.86 -8.99 -0.25 0
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391828 135010006 1 NOH27C29 ABC27D29 21.01 4.58 -9.21 -0.14 0
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391829 135010008 1 FN4O4C25H33 AB4C4D25E33 -110.35 5.04 -9.26 -1.15 0
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391830 135010017 1 O5N6C22H32 A5B6C22D32 -214.63 8.75 -9.71 -0.03 0
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391831 135010071 1 FO3C12H17 AB3C12D17 -170.51 2.19 -10.33 0.0 0
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391832 135010081 1 SN2O5C11H14 AB2C5D11E14 -143.9 4.86 -8.94 -0.5 0
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391833 135010098 1 O4H18C19 A4B18C19 -121.21 3.72 -9.49 -0.3 0
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391835 135010115 1 NO2H17C22 AB2C17D22 5.43 3.52 -8.31 -0.38 0
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391836 135010117 1 NO2C22H29 AB2C22D29 -68.0 5.07 -8.4 -0.13 0
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391837 135010120 1 O3N4H14C18 A3B4C14D18 18.95 4.14 -9.86 -2.06 0
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391838 135010125 1 PtP2H6 AB2C6 132.42 3.47 -9.94 -4.12 0
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391839 135010126 1 PdC2O2H6 AB2C2D6 -26.76 5.3 -8.24 0.88 0
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391840 135010127 1 BrNOH10C13 ABCD10E13 3.17 2.39 -8.17 -0.68 0
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391841 135010128 1 NF3O4C17H18 AB3C4D17E18 -305.37 7.14 -9.37 -0.48 0
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391842 135010132 1 NO2C7H11 AB2C7D11 -89.78 0.95 -9.18 -0.45 0
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391843 135010139 1 NO5Si6C31H49 AB5C6D31E49 -465.54 2.55 -8.54 0.16 0
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391844 135010143 2 O2Si2C11H14 A2B2C11D14 -299.37 3.03 -9.19 -1.04 0
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391845 135010209 1 NC20H23 AB20C23 48.26 1.56 -8.75 0.38 0
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391846 135010214 1 N2O3C24H28 A2B3C24D28 -66.84 5.94 -9.35 -0.34 0
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391848 135010236 1 IO2C7H11 AB2C7D11 -59.77 3.09 -9.76 -0.99 0
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391849 135010239 2 O2H12C13 A2B12C13 -29.85 0.73 -9.19 -1.57 0
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391850 135010251 1 NSiO2C26H45 ABC2D26E45 -139.88 4.16 -8.66 0.77 0
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391851 135010252 1 NSi2O4C24H41 AB2C4D24E41 -213.83 4.85 -8.76 -0.8 1
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391852 135010253 1 NSi2O4C24H40 AB2C4D24E40 -189.8 4.72 0.0 0.0 0
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391853 135010258 1 OSiC15H18 ABC15D18 -42.24 2.15 -8.51 -0.19 0
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391854 135010259 1 BO3C15H25 AB3C15D25 -226.08 4.02 -9.04 0.84 0
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391855 135010266 1 F3N4O4H19C21 A3B4C4D19E21 -214.42 5.44 -9.39 -0.87 0
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391856 135010269 1 SN2O2C11H14 AB2C2D11E14 -47.44 3.85 -9.01 -0.68 0
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391857 135010313 1 SiO5C28H38 AB5C28D38 -205.94 4.69 -8.94 0.19 -4
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391859 135010328 1 F3N4O6C16H23 A3B4C6D16E23 -392.46 5.26 -10.31 -0.53 0
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391860 135010330 1 SiS2O3C25H42 AB2C3D25E42 -171.35 2.96 -8.76 0.15 0
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391861 135010335 1 SN2O2H14C15 AB2C2D14E15 -9.82 3.57 -9.02 -0.72 0
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391862 135010338 2 NOC10H11 ABC10D11 2.61 3.73 -8.68 -0.21 0
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391863 135010339 1 ON3H17C19 AB3C17D19 56.65 2.22 -8.34 -0.44 0
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391865 135010357 12 H3C4 A3B4 137.58 1.67 -8.98 0.23 0
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391866 135010368 1 NH9C10 AB9C10 78.18 3.12 -8.59 -0.53 0
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391867 135010388 1 SiO2C17H32 AB2C17D32 -151.23 1.99 -9.23 0.64 0
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391868 135010390 1 OSiC15H28 ABC15D28 -88.79 3.02 -8.8 1.14 0