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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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316143 126630203 1 SO2N5H25C27 AB2C5D25E27 52.16 5.36 -9.21 -0.96 0
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316144 126630204 1 O3N4C27H28 A3B4C27D28 -53.74 4.21 -9.21 -0.88 0
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316145 126630205 1 BrNO2C22H26 ABC2D22E26 -81.38 0.88 -9.15 -0.18 0
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316146 126630207 1 N5O5C30H41 A5B5C30D41 -184.88 4.16 -8.94 -0.64 0
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316147 126630208 1 O7C20H22 A7B20C22 -262.91 3.83 -8.65 -0.46 0
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316148 126630210 2 NO2C8H14 AB2C8D14 -190.51 2.38 -9.55 0.51 0
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316149 126630212 1 N5O6C29H39 A5B6C29D39 -219.96 7.36 -9.09 -0.76 0
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316151 126630218 1 ON3C20H21 AB3C20D21 41.21 1.82 -8.71 -0.66 0
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316152 126630221 1 N3O3C27H29 A3B3C27D29 -22.1 2.72 -8.71 -0.62 0
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316153 126630230 1 F2O2N3C26H27 A2B2C3D26E27 -138.59 5.5 -9.44 -1.15 0
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316154 126630231 1 O2N3C15H23 A2B3C15D23 -80.81 3.7 -9.12 -0.23 0
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316158 126630236 1 FO2N3C25H26 AB2C3D25E26 -62.3 4.67 -9.3 -0.9 0
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316160 126630242 1 O2N3C26H29 A2B3C26D29 -40.64 2.93 -9.15 -0.81 0
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316162 126630247 1 N3C9H13 A3B9C13 31.74 1.7 -8.98 -0.22 0
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316164 126630252 1 ON3C15H17 AB3C15D17 26.17 3.12 -8.99 -0.25 0
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316165 126630253 1 O2N3C20H21 A2B3C20D21 6.72 1.85 -9.29 -1.06 0
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316166 126630255 1 FO2N3C26H28 AB2C3D26E28 -86.06 4.63 -9.36 -0.92 0
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316168 126630265 1 NO3C11H17 AB3C11D17 -134.68 8.38 -10.43 0.22 0
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316169 126630273 1 N2O3C25H26 A2B3C25D26 -56.26 6.92 -8.93 -0.55 0
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316171 126630281 1 N5O5C31H41 A5B5C31D41 -157.34 3.52 -7.62 -0.7 0
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316172 126630291 1 ON4C9H20 AB4C9D20 -4.38 3.71 -9.03 0.44 0
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316174 126630305 1 FCl3H6C8 AB3C6D8 -43.95 3.26 -9.35 -0.95 0
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316177 126630316 1 N5O6C30H41 A5B6C30D41 -222.99 2.87 -8.95 -0.57 0
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316178 126630317 1 N5O6C31H41 A5B6C31D41 -201.8 12.06 -8.94 -1.05 0
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316179 126630318 1 N5O7C35H47 A5B7C35D47 -252.2 2.72 -8.83 -0.66 0
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316181 126630320 1 N5O6C31H43 A5B6C31D43 -208.68 5.27 -9.12 -0.69 0
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316182 126630325 1 N5O6C35H47 A5B6C35D47 -212.46 8.75 -9.19 -0.94 0
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316185 126630329 1 N5O6C35H47 A5B6C35D47 -213.65 10.38 -9.32 -1.01 0
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316186 126630330 1 N5O6C31H43 A5B6C31D43 -226.55 6.41 -9.12 -0.76 0
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316187 126630331 1 Cl3N6O6H51C52 A3B6C6D51E52 -124.14 4.22 -8.91 -0.66 0
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316189 126630335 6 NC3H4 AB3C4 58.23 2.9 -8.33 0.09 0
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316190 126630336 2 ON2C13H15 AB2C13D15 -26.98 6.58 -8.63 -0.61 0
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316191 126630337 1 ON6C18H24 AB6C18D24 0.89 4.99 -8.38 -0.08 0
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316192 126630340 1 SO5N6C16H24 AB5C6D16E24 -178.81 4.99 -8.2 -0.16 0
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316194 126630345 1 SO4N5C14H19 AB4C5D14E19 -104.74 2.37 -8.26 -0.25 0
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316195 126630346 1 SO4N5C16H23 AB4C5D16E23 -138.33 3.06 -8.2 -0.17 0
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316196 126630347 1 SO5N6C21H32 AB5C6D21E32 -190.9 5.65 -8.01 -0.04 0
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316197 126630348 1 SO5N6C18H28 AB5C6D18E28 -173.74 1.49 -7.97 0.0 0
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316198 126630349 1 SN5O6C17H25 AB5C6D17E25 -214.5 6.55 -8.05 -0.26 0
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316201 126630354 1 N5O5C31H43 A5B5C31D43 -197.57 4.25 -8.83 -0.5 0
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316203 126630364 1 N3H33C49 A3B33C49 218.48 2.2 -7.94 -0.5 0
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316204 126630372 2 NH17C25 AB17C25 209.6 0.95 -8.14 -0.59 0
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316205 126630373 1 N3H33C49 A3B33C49 219.01 2.36 -7.89 -0.4 0
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316206 126630374 1 N3H33C49 A3B33C49 216.68 3.86 -8.18 -0.56 0
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316209 126630378 1 N3H33C49 A3B33C49 216.05 3.48 -8.11 -0.59 0
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316210 126630379 1 N3H33C49 A3B33C49 217.98 3.61 -8.07 -0.49 0
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316211 126630380 1 N3H33C49 A3B33C49 216.4 1.42 -8.15 -0.66 0
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316213 126630387 1 N3H33C49 A3B33C49 217.71 1.61 -7.84 -0.67 0
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316214 126630392 1 N3H33C49 A3B33C49 216.89 2.75 -8.04 -0.55 0
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316215 126630393 1 N3H33C49 A3B33C49 216.99 2.47 -8.01 -0.48 0