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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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40153 8143656 1 O2N3C19H21 A2B3C19D21 -45.68 1.16 -9.01 -0.6 0
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40154 8143657 1 BrO3N4H9C15 AB3C4D9E15 86.57 7.29 -9.7 -2.0 1
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40155 8143658 1 ClO2N3C16H21 AB2C3D16E21 -53.47 3.09 0.0 0.0 0
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40156 8143659 1 ClO2N3C16H20 AB2C3D16E20 -75.45 1.6 -9.18 -0.34 1
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40157 8143660 1 ClO2N3C16H21 AB2C3D16E21 -52.99 1.15 0.0 0.0 0
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40158 8143661 1 ClO2N3C16H20 AB2C3D16E20 -75.09 0.56 -9.17 -0.37 0
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40159 8143662 1 ClFOSN2H12C16 ABCDE2F12G16 -32.93 6.26 -9.29 -0.99 0
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40160 8143664 1 N3O3C16H21 A3B3C16D21 -103.08 1.46 -9.04 -0.1 0
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40161 8143666 1 N3O3C16H21 A3B3C16D21 -103.4 2.24 -9.01 -0.07 0
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40162 8143667 1 ClFOSN2H12C16 ABCDE2F12G16 -31.85 5.3 -9.34 -1.2 1
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40163 8143668 1 N3O3C20H24 A3B3C20D24 -63.98 4.69 0.0 0.0 0
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40164 8143669 1 N3O3C20H23 A3B3C20D23 -86.09 2.85 -8.57 -0.58 0
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40165 8143671 1 N3O3C20H23 A3B3C20D23 -85.87 3.8 -8.59 -0.6 0
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40166 8143672 1 ON3Cl4H7C15 AB3C4D7E15 72.17 4.91 -9.52 -1.31 1
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40167 8143674 1 Cl2O2N3C15H18 A2B2C3D15E18 -56.16 1.28 0.0 0.0 0
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40168 8143675 1 Cl2O2N3C15H17 A2B2C3D15E17 -79.5 1.31 -9.29 -0.79 0
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40169 8143677 1 Cl2O2N3C15H17 A2B2C3D15E17 -79.52 2.02 -9.31 -0.8 -1
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40170 8143678 1 BrO2N5H11C16 AB2C5D11E16 82.72 4.73 0.0 0.0 0
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40171 8143679 1 BrO2N5H12C16 AB2C5D12E16 72.13 6.54 -9.31 -2.02 0
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40172 8143681 1 O2N3C22H25 A2B3C22D25 -42.66 0.9 -9.14 0.04 1
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40173 8143682 1 S2N4C18H21 A2B4C18D21 121.6 5.11 0.0 0.0 0
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40174 8143683 2 SN2C9H10 AB2C9D10 102.76 3.49 -8.24 -0.84 1
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40175 8143686 1 OSN4C18H21 ABC4D18E21 85.32 5.22 0.0 0.0 1
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40176 8143688 1 OSN4C23H29 ABC4D23E29 64.15 5.53 0.0 0.0 0
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40177 8143689 1 OSN4C23H28 ABC4D23E28 43.82 3.84 -8.26 -0.16 0
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40178 8143695 1 SN3C13H17 AB3C13D17 40.38 3.55 -8.08 -0.41 1
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40179 8143697 1 N3O4C22H26 A3B4C22D26 -85.78 3.46 0.0 0.0 1
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40180 8143699 1 ClSN4C18H24 ABC4D18E24 68.11 4.55 0.0 0.0 1
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40181 8143701 1 OSN4C17H25 ABC4D17E25 32.68 5.39 0.0 0.0 0
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40182 8143702 1 OSN4C17H24 ABC4D17E24 15.64 5.21 -8.06 -0.3 0
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40183 8143705 1 BrNF4H10C11 ABC4D10E11 -153.38 3.79 -8.95 -1.0 1
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40184 8143706 1 ClSN4C14H18 ABC4D14E18 83.59 5.3 0.0 0.0 0
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40185 8143710 1 NO2C28H33 AB2C28D33 -54.16 4.94 -8.7 0.02 1
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40186 8143711 1 SO2N4C21H25 AB2C4D21E25 45.08 4.28 0.0 0.0 0
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40187 8143715 1 ON2C28H34 AB2C28D34 7.03 6.39 -8.18 -0.96 0
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40188 8143717 1 OSN5H19C21 ABC5D19E21 101.42 3.99 -8.78 -1.46 1
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40189 8143719 1 FSO2N4C21H24 ABC2D4E21F24 -0.67 3.94 0.0 0.0 0
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40190 8143721 1 ON2C26H36 AB2C26D36 -47.67 4.14 -8.28 -0.06 1
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40191 8143722 1 ClOSN4C20H22 ABCD4E20F22 82.54 10.23 0.0 0.0 0
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40192 8143725 1 N3O4C13H13 A3B4C13D13 -42.82 3.77 -9.32 -1.84 0
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40193 8143726 1 O2N6C19H20 A2B6C19D20 107.35 4.94 -9.01 -1.79 1
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40194 8143731 1 N3O4C18H26 A3B4C18D26 -123.69 4.17 0.0 0.0 0
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40195 8143732 1 N3O4C18H25 A3B4C18D25 -146.68 3.8 -8.51 -0.01 0
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40196 8143735 1 ClSN4C15H19 ABC4D15E19 54.78 2.58 -8.25 -0.88 0
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40197 8143737 1 O3N4C17H20 A3B4C17D20 -56.96 11.31 -8.93 -0.88 1
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40198 8143738 1 SO2N4C20H21 AB2C4D20E21 56.03 4.47 0.0 0.0 0
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40199 8143739 1 SO2N4C20H20 AB2C4D20E20 39.33 3.95 -8.24 -0.77 0
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40200 8143743 1 SO2N5C21H21 AB2C5D21E21 36.5 3.31 -8.44 -1.08 1
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40201 8143744 1 OSN5C21H22 ABC5D21E22 89.38 11.95 0.0 0.0 0
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40202 8143745 1 OSN5C21H21 ABC5D21E21 67.01 3.01 -8.43 -1.09 0
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40203 8143746 1 SN4O4C7H10 AB4C4D7E10 -142.47 4.78 -9.41 -1.35 0
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40204 8143748 1 OSN5C22H23 ABC5D22E23 57.6 3.1 -8.43 -1.05 0
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40205 8143750 1 SN5C18H19 AB5C18D19 113.76 1.66 -8.34 -0.96 0
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40206 8143752 1 FSN4C16H19 ABC4D16E19 45.9 5.21 -8.16 -0.77 1
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40207 8143753 1 SO2N5C22H22 AB2C5D22E22 76.49 13.86 0.0 0.0 0
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40208 8143754 1 SO2N5H21C22 AB2C5D21E22 63.02 4.06 -8.79 -1.28 1
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40209 8143755 1 F2N3O3C18H24 A2B3C3D18E24 -198.63 5.63 0.0 0.0 0
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40210 8143756 1 F2N3O3C18H23 A2B3C3D18E23 -223.0 2.57 -9.35 -0.22 1
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40211 8143757 1 F2N3O3C18H24 A2B3C3D18E24 -201.89 3.63 0.0 0.0 0
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40212 8143758 1 F2N3O3C18H23 A2B3C3D18E23 -222.58 3.32 -9.25 -0.21 1
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40213 8143760 1 O2N4C22H23 A2B4C22D23 41.57 7.77 0.0 0.0 1
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40214 8143762 1 OSN4C12H15 ABC4D12E15 67.46 9.45 0.0 0.0 0
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40215 8143763 1 OSN4C12H14 ABC4D12E14 47.42 2.89 -8.83 -1.26 1
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40216 8143764 1 Cl2N2O2C13H13 A2B2C2D13E13 -54.27 14.81 0.0 0.0 0
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40217 8143765 1 Cl2N2O2H12C13 A2B2C2D12E13 -59.68 1.44 -9.26 -1.73 1
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40218 8143766 1 SN4C16H21 AB4C16D21 109.15 4.91 0.0 0.0 0
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40219 8143768 1 O3N4C23H30 A3B4C23D30 -114.8 5.54 -8.64 -0.4 1
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40220 8143769 1 SO2N4C21H25 AB2C4D21E25 45.63 5.89 0.0 0.0 0
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40221 8143770 1 SO2N4C21H24 AB2C4D21E24 22.46 4.9 -8.35 -0.37 1
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40222 8143771 1 FSN4C14H18 ABC4D14E18 41.82 4.57 0.0 0.0 0
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40223 8143774 1 FSN4C14H17 ABC4D14E17 25.63 5.2 -8.15 -0.8 0
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40224 8143775 1 SN2O3C16H18 AB2C3D16E18 -48.7 5.12 -8.29 -0.84 0
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40225 8143777 1 SO2N4C16H22 AB2C4D16E22 -3.12 5.65 -8.22 -0.25 0
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40226 8143778 1 N3O4C19H21 A3B4C19D21 -78.03 2.6 -8.54 -0.51 1
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40227 8143779 1 ON3C18H24 AB3C18D24 -3.88 8.89 0.0 0.0 0
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40228 8143780 1 ON3C18H23 AB3C18D23 -22.6 7.43 -9.12 -0.52 1
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40229 8143781 1 SN5C19H22 AB5C19D22 125.96 4.72 0.0 0.0 0
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40230 8143782 1 SN5C19H21 AB5C19D21 108.29 2.35 -8.4 -0.78 1
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40231 8143783 1 ClSN4C20H22 ABC4D20E22 106.88 4.75 0.0 0.0 0
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40232 8143784 1 ClSN4C20H21 ABC4D20E21 87.25 2.4 -8.35 -0.77 1
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40233 8143785 1 SN4C17H23 AB4C17D23 102.6 5.06 0.0 0.0 0
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40234 8143786 1 SN4C17H22 AB4C17D22 84.85 4.18 -8.2 -0.15 1
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40235 8143788 1 ON3C18H24 AB3C18D24 -2.8 9.05 0.0 0.0 0
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40236 8143789 1 ON3C18H23 AB3C18D23 -22.59 7.27 -9.12 -0.52 0
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40237 8143790 1 SN2O3C22H22 AB2C3D22E22 -89.38 2.48 -8.7 -0.49 1
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40238 8143791 1 OSN3C20H28 ABC3D20E28 -30.83 7.5 0.0 0.0 0
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40239 8143792 1 OSN3C20H27 ABC3D20E27 -47.6 3.29 -8.53 -0.76 1
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40240 8143793 1 ClOSN4C21H24 ABCD4E21F24 71.82 2.81 0.0 0.0 0
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40241 8143797 1 OSN3C20H27 ABC3D20E27 -47.57 3.13 -8.54 -0.77 0
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40242 8143799 1 FOSN3C13H14 ABCD3E13F14 -8.95 5.77 -8.63 -1.1 1
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40243 8143800 1 SN3O3C15H20 AB3C3D15E20 -14.88 10.63 0.0 0.0 0
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40244 8143801 1 SN3O3C15H19 AB3C3D15E19 -37.92 2.98 -8.76 -0.42 0
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40245 8143805 1 OSN3C22H25 ABC3D22E25 -1.59 4.2 -8.7 -0.9 1
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40246 8143806 1 SO2N5C22H24 AB2C5D22E24 49.26 11.96 0.0 0.0 0
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40247 8143807 1 SO2N5C22H23 AB2C5D22E23 30.46 3.14 -8.42 -1.0 1
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40248 8143808 1 OS2N3C11H14 AB2C3D11E14 63.23 9.62 0.0 0.0 1
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40249 8143810 1 ClOSN4C14H18 ABCD4E14F18 52.69 18.53 0.0 0.0 1
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40250 8143812 1 BrSN4C13H16 ABC4D13E16 83.86 12.02 0.0 0.0 0
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40251 8143813 1 BrSN4C13H15 ABC4D13E15 84.52 7.39 -8.35 -1.39 1
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40252 8143814 1 BrON3C19H21 ABC3D19E21 54.43 5.36 0.0 0.0 0