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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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392811 135018033 1 SN2O3H20C22 AB2C3D20E22 31.97 4.64 -8.25 -0.84 0
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392812 135018035 1 NSO9H25C26 ABC9D25E26 -330.9 1.77 -8.81 -1.33 0
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392813 135018037 1 Si2O3C26H46 A2B3C26D46 -235.97 2.23 -8.51 0.26 0
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392814 135018040 1 ClION4H10C13 ABCD4E10F13 86.95 4.26 -9.1 -1.75 0
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392815 135018041 1 ClON5H10C14 ABC5D10E14 100.63 6.66 -9.2 -1.77 0
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392816 135018043 1 NO2H17C22 AB2C17D22 45.85 4.99 -8.52 -0.77 0
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392817 135018046 1 N3O4C20H27 A3B4C20D27 -177.23 2.27 -9.51 -0.1 0
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392818 135018047 1 N3O4C20H27 A3B4C20D27 -177.3 2.22 -9.52 -0.1 0
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392819 135018050 1 NO2H21C32 AB2C21D32 60.77 2.8 -8.65 -0.89 1
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392820 135018052 1 N3C22H22 A3B22C22 110.32 1.32 0.0 0.0 0
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392821 135018054 1 IO2Si2C21H47 AB2C2D21E47 -260.16 1.97 -8.75 -0.85 0
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392822 135018055 1 NSSiO5C37H51 ABCD5E37F51 -237.69 4.69 -8.82 -0.16 0
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392823 135018062 1 NSO4C20H23 ABC4D20E23 -85.05 6.49 -9.88 -0.95 0
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392824 135018088 1 BrN2O5C33H35 AB2C5D33E35 -153.05 7.45 -8.1 -0.63 0
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392825 135018089 1 SeO6C19H28 AB6C19D28 -257.7 4.59 -8.36 -0.47 0
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392826 135018112 1 BrOC11H15 ABC11D15 23.15 1.55 -10.36 -0.18 0
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392827 135018129 1 NOCl2H13C16 ABC2D13E16 -14.59 2.01 -9.02 -0.63 0
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392828 135018130 1 F2O5H18C19 A2B5C18D19 -250.96 5.33 -9.66 -0.78 0
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392829 135018133 2 NSSiO3C11H20 ABCD3E11F20 -323.75 4.05 -8.93 -0.99 0
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392830 135018134 1 NO4C23H25 AB4C23D25 -107.34 2.81 -8.78 -0.68 0
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392831 135018135 1 NSiO3C18H27 ABC3D18E27 -153.03 3.08 -9.31 0.26 0
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392832 135018137 1 SiN2O3H32C34 AB2C3D32E34 -29.47 4.94 -8.55 -0.21 0
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392833 135018138 1 O19C28H38 A19B28C38 -858.06 1.99 -10.17 0.2 0
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392834 135018139 1 SO17C32H40 AB17C32D40 -748.49 4.56 -8.65 -0.16 0
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392835 135018141 1 SeO17C33H42 AB17C33D42 -752.32 0.93 -8.73 -0.66 0
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392836 135018142 1 SeO9C21H26 AB9C21D26 -383.22 3.32 -8.66 -0.49 0
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392837 135018144 1 ClNOH14C21 ABCD14E21 74.3 5.91 -9.07 -1.08 0
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392838 135018146 1 SO17C32H40 AB17C32D40 -745.6 2.72 -8.77 -0.21 0
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392839 135018149 1 NOH21C28 ABC21D28 106.34 4.69 -8.97 -1.0 0
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392840 135018153 1 SN2O13C69H70 AB2C13D69E70 -230.64 4.62 -9.05 -1.9 0
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392841 135018157 2 OH9C12 AB9C12 44.84 1.13 -9.43 -0.95 0
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392842 135018161 1 NSO7C35H39 ABC7D35E39 -250.03 4.86 -8.38 -0.64 0
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392843 135018166 1 NOC13H21 ABC13D21 -60.54 3.8 -8.8 -0.05 0
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392844 135018171 1 NO2H23C28 AB2C23D28 3.03 2.63 -8.9 -0.73 0
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392845 135018172 1 OC15H18 AB15C18 14.3 1.57 -8.76 0.24 0
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392846 135018173 1 O5C21H22 A5B21C22 -154.53 5.62 -8.99 -0.84 0
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392847 135018174 1 C15H26 A15B26 -39.81 0.05 -9.8 3.45 0
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392848 135018180 1 O2C21H22 A2B21C22 -39.24 2.57 -8.7 -0.1 0
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392849 135018181 1 ClF2O2C21H21 AB2C2D21E21 -132.07 2.22 -9.43 -0.08 0
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392850 135018182 1 F2O2C21H24 A2B2C21D24 -154.43 1.98 -9.39 0.02 0
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392851 135018186 1 N2O12C19H28 A2B12C19D28 -550.57 3.85 -9.96 0.19 0
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392852 135018187 1 O5C34H36 A5B34C36 -98.96 2.66 -9.18 0.15 0
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392853 135018188 1 OCl2N2H12C15 AB2C2D12E15 -3.33 4.55 -9.08 -0.7 0
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392854 135018189 1 F2O5H18C19 A2B5C18D19 -247.97 5.7 -9.74 -0.87 0
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392855 135018191 1 N2O3C21H22 A2B3C21D22 -86.55 4.29 -9.48 -0.8 0
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392856 135018194 1 NSO4C21H27 ABC4D21E27 -128.21 4.39 -8.5 0.27 0
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392857 135018195 1 NSO2C19H21 ABC2D19E21 -30.96 4.36 -9.17 0.37 0
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392858 135018196 1 BrN2O3H13C18 AB2C3D13E18 31.73 8.16 -9.39 -1.22 0
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392859 135018197 1 BrON2H15C18 ABC2D15E18 7.2 2.34 -8.62 -0.59 0
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392860 135018201 1 O4N5C15H15 A4B5C15D15 -22.81 11.06 -9.59 -1.89 0
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392861 135018203 1 ON7C15H15 AB7C15D15 118.13 5.58 -9.02 -1.17 0
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392862 135018204 2 NOC13H15 ABC13D15 -53.0 3.22 -8.48 -0.2 0
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392863 135018205 1 N2O2C27H32 A2B2C27D32 -62.96 3.04 -8.43 -0.15 0
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392864 135018206 1 N2O3C27H32 A2B3C27D32 -94.03 1.65 -8.44 -0.15 1
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392865 135018230 1 AuNOPC31H46 ABCDE31F46 78.8 19.27 0.0 0.0 0
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392866 135018231 1 NSO2C19H21 ABC2D19E21 -25.96 3.79 -8.72 -0.46 0
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392867 135018248 1 NO6C22H25 AB6C22D25 -165.31 7.09 -8.61 -0.53 0
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392868 135018258 1 SiN2O3C19H26 AB2C3D19E26 -127.71 5.09 -8.44 0.03 0
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392869 135018275 1 ON2C20H28 AB2C20D28 20.18 3.17 -8.95 -0.03 0
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392870 135018276 1 ON2C20H28 AB2C20D28 -24.03 4.07 -8.36 -0.12 0
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392871 135018278 2 OSC17H20 ABC17D20 -71.79 1.18 -8.71 -1.6 0
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392872 135018279 1 N2O2C19H26 A2B2C19D26 -67.41 1.96 -9.3 -0.52 0
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392873 135018281 1 C15H26 A15B26 -40.24 0.13 -9.96 3.44 0
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392874 135018282 2 NO2C3H5 AB2C3D5 -128.09 3.75 -10.6 -0.78 0
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392875 135018283 1 OC21H30 AB21C30 -61.96 1.57 -8.73 -0.07 0
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392876 135018284 1 NSO3C22H25 ABC3D22E25 -31.65 5.48 -8.78 -0.27 0
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392877 135018285 1 NSO3C28H29 ABC3D28E29 -53.77 5.06 -8.54 -0.35 0
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392878 135018286 2 N2Si2C35H49 A2B2C35D49 83.99 5.53 -7.86 -1.55 0
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392879 135018287 1 N2O12C25H32 A2B12C25D32 -514.64 1.86 -9.48 0.09 0
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392880 135018288 1 N2O12C21H32 A2B12C21D32 -562.05 1.73 -9.9 0.12 0
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392881 135018291 2 C13H24 A13B24 -76.74 0.29 -9.75 3.95 0
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392882 135018293 1 N7O7C18H21 A7B7C18D21 -165.56 10.8 -9.12 -1.35 0
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392883 135018294 1 O7H24C27 A7B24C27 -207.51 5.63 -10.04 -0.81 0
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392884 135018296 1 ClPdO2H13C16 ABC2D13E16 72.65 5.61 -6.44 -3.51 1
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392885 135018298 1 PO2C22H22 AB2C22D22 -1.24 5.66 0.0 0.0 1
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392886 135018299 1 NPO3H35C38 ABC3D35E38 12.92 13.84 0.0 0.0 0
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392887 135018300 1 NPO3H34C38 ABC3D34E38 -12.88 8.21 -8.38 -0.48 0
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392888 135018317 1 NOC27H29 ABC27D29 23.23 2.16 -9.3 -0.53 0
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392889 135018318 1 NOC27H31 ABC27D31 -2.58 3.39 -9.21 -0.47 1
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392890 135018320 1 PC26H42 AB26C42 -57.8 0.98 0.0 0.0 0
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392891 135018321 1 PC26H41 AB26C41 -71.82 1.36 -7.94 2.79 -1
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392892 135018323 1 BNSO2C8H11 ABCD2E8F11 -70.37 4.6 0.0 0.0 0
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392893 135018325 1 N3C15H17 A3B15C17 80.51 1.29 -8.36 -0.43 0
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392894 135018326 1 FNO5C14H16 ABC5D14E16 -178.56 8.56 -9.94 -0.43 0
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392895 135018334 1 ClO4H19C20 AB4C19D20 -123.14 2.87 -9.73 -0.97 -1
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392896 135018336 1 ClYH4C6 ABC4D6 50.5 0.92 -5.78 -0.87 0
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392897 135018339 1 PN3O7C9H12 AB3C7D9E12 -296.79 8.94 -9.99 -0.41 0
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392898 135018340 2 OC14H14 AB14C14 -3.81 2.23 -8.53 -0.44 0
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392899 135018341 1 IN2O3C27H31 AB2C3D27E31 -13.01 3.13 -8.29 -1.1 0
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392900 135018356 1 SN3O4H23C26 AB3C4D23E26 -75.9 6.86 -8.54 -0.88 0
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392901 135018375 2 O3C6H11 A3B6C11 -299.7 1.92 -10.12 1.14 0
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392902 135018377 1 NO5C29H33 AB5C29D33 -101.68 3.48 -8.98 0.16 0
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392903 135018390 1 IN2H13C22 AB2C13D22 148.85 4.89 -9.26 -1.51 0
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392904 135018409 1 SiF2O5C18H32 AB2C5D18E32 -395.67 3.45 -9.08 -0.94 1
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392905 135018416 1 Cl2N3H16C20 A2B3C16D20 108.95 2.84 0.0 0.0 0
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392906 135018417 2 OC6H9 AB6C9 -70.22 5.37 -9.85 -0.57 0
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392907 135018420 1 Si4O7C55H106 A4B7C55D106 -596.16 3.08 -8.73 -0.13 0
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392908 135018421 1 NO5C29H33 AB5C29D33 -109.94 1.59 -8.99 0.05 0
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392909 135018422 1 NO5C29H33 AB5C29D33 -118.3 1.38 -9.09 0.14 0
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392910 135018423 1 BrN3H14C15 AB3C14D15 75.85 2.87 -8.47 -0.82 0