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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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42854 8150102 1 SN3O5C19H26 AB3C5D19E26 -197.82 17.08 0.0 0.0 0
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42855 8150103 1 SN3O5C19H25 AB3C5D19E25 -211.83 6.61 -9.01 -1.29 1
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42856 8150104 1 SN3O5C19H26 AB3C5D19E26 -199.08 18.31 0.0 0.0 0
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42857 8150105 1 SN3O5C19H25 AB3C5D19E25 -210.22 5.01 -9.01 -1.27 1
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42858 8150106 1 S2N3O3C19H22 A2B3C3D19E22 -58.29 10.57 0.0 0.0 1
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42859 8150108 1 S2N3O3C19H22 A2B3C3D19E22 -58.86 16.41 0.0 0.0 0
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42860 8150109 1 S2N3O3C19H21 A2B3C3D19E21 -74.26 4.64 -8.67 -1.05 1
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42861 8150110 1 SN3O3C22H26 AB3C3D22E26 -77.25 7.92 0.0 0.0 0
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42862 8150111 1 SN3O3C22H25 AB3C3D22E25 -93.71 3.67 -8.57 -0.83 1
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42863 8150112 1 OSN3C21H28 ABC3D21E28 -22.86 7.73 0.0 0.0 0
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42864 8150113 1 OSN3C21H27 ABC3D21E27 -35.17 2.91 -8.54 -0.89 1
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42865 8150114 1 SN3O3C23H32 AB3C3D23E32 -134.47 17.2 0.0 0.0 0
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42866 8150115 1 SN3O3C23H31 AB3C3D23E31 -143.54 5.83 -9.01 -1.3 1
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42867 8150116 1 SN3O3C23H32 AB3C3D23E32 -134.3 18.87 0.0 0.0 1
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42868 8150118 1 OS2N3C23H28 AB2C3D23E28 10.5 6.28 0.0 0.0 1
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42869 8150120 1 OS2N3C23H28 AB2C3D23E28 6.07 15.41 0.0 0.0 0
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42870 8150122 1 ON2C14H16 AB2C14D16 -11.81 3.17 -9.55 -1.03 0
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42871 8150123 1 ON2C14H16 AB2C14D16 -11.76 3.28 -9.55 -1.02 1
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42872 8150124 1 OS2N3C18H22 AB2C3D18E22 12.76 6.23 0.0 0.0 0
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42873 8150125 1 OS2N3C18H21 AB2C3D18E21 -1.72 2.58 -8.63 -0.9 1
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42874 8150126 1 OS2N3C18H22 AB2C3D18E22 12.63 5.67 0.0 0.0 0
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42875 8150127 1 OS2N3C18H21 AB2C3D18E21 -1.51 2.03 -8.62 -0.87 1
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42876 8150128 1 OS2N3C18H22 AB2C3D18E22 13.4 5.68 0.0 0.0 0
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42877 8150129 1 OS2N3C18H21 AB2C3D18E21 -1.03 0.79 -8.7 -0.99 1
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42878 8150130 1 OS2N3C18H22 AB2C3D18E22 12.71 5.79 0.0 0.0 0
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42879 8150131 1 OS2N3C18H21 AB2C3D18E21 0.59 0.79 -8.67 -0.96 0
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42880 8150133 1 ON3S3H15C17 AB3C3D15E17 53.67 3.47 -8.67 -1.05 1
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42881 8150134 1 ON3S3H16C17 AB3C3D16E17 67.69 7.72 0.0 0.0 0
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42882 8150135 1 ON3S3H15C17 AB3C3D15E17 53.67 3.96 -8.7 -1.08 1
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42883 8150136 1 SN3O3C23H26 AB3C3D23E26 -65.93 18.48 0.0 0.0 0
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42884 8150137 1 SN3O3C23H25 AB3C3D23E25 -76.49 5.78 -8.98 -1.25 1
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42885 8150138 1 SN3O3C23H26 AB3C3D23E26 -66.32 17.99 0.0 0.0 1
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42886 8150140 1 OS2N3H22C23 AB2C3D22E23 75.5 15.9 0.0 0.0 0
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42887 8150141 1 OS2N3H21C23 AB2C3D21E23 57.64 3.79 -8.66 -1.04 1
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42888 8150142 1 OS2N3H22C23 AB2C3D22E23 75.9 16.54 0.0 0.0 0
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42889 8150144 1 SN3O3C20H23 AB3C3D20E23 -66.18 2.57 -8.08 -0.99 0
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42890 8150145 1 SN3O3C23H29 AB3C3D23E29 -95.15 2.56 -8.06 -0.9 0
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42891 8150146 1 SN3O3C23H29 AB3C3D23E29 -97.72 2.19 -8.07 -0.92 0
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42892 8150147 1 SN3O3C23H29 AB3C3D23E29 -93.84 2.58 -8.07 -0.89 0
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42893 8150148 1 SN3O3C23H29 AB3C3D23E29 -95.7 2.42 -8.21 -1.0 0
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42894 8150149 1 SN3O3C23H31 AB3C3D23E31 -105.37 2.04 -8.29 -1.0 0
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42895 8150150 1 SN3O3C23H31 AB3C3D23E31 -103.34 3.53 -8.48 -0.99 0
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42896 8150156 1 SO2N3C22H27 AB2C3D22E27 -46.76 3.26 -8.51 -0.75 1
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42897 8150157 1 SO2N3C22H28 AB2C3D22E28 -34.52 8.17 0.0 0.0 0
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42898 8150158 1 SO2N3C22H27 AB2C3D22E27 -48.4 2.56 -8.56 -0.81 1
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42899 8150159 1 SO2N3C22H28 AB2C3D22E28 -32.9 7.72 0.0 0.0 0
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42900 8150160 1 SO2N3C22H27 AB2C3D22E27 -46.8 3.08 -8.52 -0.76 0
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42901 8150162 1 SN3O4C21H25 AB3C4D21E25 -129.35 4.58 -9.01 -1.29 0
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42902 8150164 1 SN3O4C21H25 AB3C4D21E25 -130.26 4.88 -9.02 -1.31 1
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42903 8150165 1 O2S2N3C21H22 A2B2C3D21E22 21.04 10.17 0.0 0.0 0
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42904 8150166 1 O2S2N3C21H21 A2B2C3D21E21 5.77 3.82 -8.51 -1.11 0
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42905 8150168 1 O2S2N3C21H21 A2B2C3D21E21 12.09 4.68 -8.65 -1.06 1
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42906 8150169 1 SO2N3C19H22 AB2C3D19E22 -5.38 6.93 0.0 0.0 0
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42907 8150172 1 SO2N3C22H27 AB2C3D22E27 -45.63 1.53 -8.64 -0.9 1
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42908 8150173 1 SO2N3C22H28 AB2C3D22E28 -29.4 6.68 0.0 0.0 0
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42909 8150174 1 SO2N3C22H27 AB2C3D22E27 -44.44 1.48 -8.65 -0.91 0
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42910 8150176 1 SO2N3C22H27 AB2C3D22E27 -46.7 2.71 -8.67 -0.93 1
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42911 8150177 1 SO2N3C22H28 AB2C3D22E28 -27.68 5.75 0.0 0.0 0
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42912 8150178 1 SO2N3C22H27 AB2C3D22E27 -46.07 3.13 -8.61 -0.86 1
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42913 8150181 1 SN3O4C21H26 AB3C4D21E26 -113.09 15.81 0.0 0.0 0
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42914 8150182 1 SN3O4C21H25 AB3C4D21E25 -126.79 3.57 -9.06 -1.34 0
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42915 10317124 1 NO5C21H25 AB5C21D25 -197.36 2.57 -8.61 -0.9 0
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42916 10317127 1 N3O4C20H25 A3B4C20D25 -90.52 7.18 -8.76 -0.7 0
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42917 10317128 1 N3O4C20H25 A3B4C20D25 -134.9 5.26 -9.18 -0.75 0
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42918 10317139 1 N3O3C21H29 A3B3C21D29 -108.99 4.91 -8.41 0.06 0
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42919 10317143 1 NOC26H29 ABC26D29 54.66 4.64 -8.83 -0.03 0
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42920 10317144 1 ClON5H10C20 ABC5D10E20 139.21 10.36 -9.54 -2.08 0
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42921 10317149 1 ClOS2N3H10C17 ABC2D3E10F17 75.02 3.18 -9.33 -1.29 0
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42923 10317154 1 NCl2O5H15C16 AB2C5D15E16 -209.12 5.75 -9.07 -0.84 0
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42924 10317155 1 PN2F3O5C13H20 AB2C3D5E13F20 -419.53 5.19 -10.81 -0.57 0
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42925 10317171 1 N2O3H20C23 A2B3C20D23 -38.51 4.86 -8.54 -1.05 0
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42926 10317179 1 O3H24C25 A3B24C25 -62.2 0.3 -8.76 -0.62 0
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42927 10317208 1 Cl2O2N4H10C17 A2B2C4D10E17 8.83 5.88 -8.9 -1.22 0
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42928 10317211 1 OCl2N4H14C18 AB2C4D14E18 34.53 5.41 -8.84 -1.37 0
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42929 10317213 1 BrSO3C16H21 ABC3D16E21 -111.73 4.27 -9.98 -0.58 0