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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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427160 135155775 1 SN2O4C15H20 AB2C4D15E20 -160.56 5.47 -8.48 -1.02 0
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427161 135155777 1 ISN3O3H18C22 ABC3D3E18F22 -18.53 6.16 -9.06 -1.01 0
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427162 135155778 1 O2N4F5H21C27 A2B4C5D21E27 -217.12 5.61 -9.62 -1.3 0
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427163 135155805 1 ClO2N6C27H27 AB2C6D27E27 23.49 5.44 -9.5 -0.99 0
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427164 135155823 1 F4O4N5H33C35 A4B4C5D33E35 -287.07 6.23 -9.72 -1.22 0
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427165 135155827 1 O2F4N6H34C35 A2B4C6D34E35 -166.22 2.88 -9.16 -1.01 0
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427166 135155828 1 FO2N5H30C33 AB2C5D30E33 5.65 3.56 -8.39 -0.46 0
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427167 135155829 1 Cl2F2O2N4H22C31 A2B2C2D4E22F31 -57.34 3.48 -9.45 -0.7 0
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427168 135155830 1 FO2N5H24C30 AB2C5D24E30 15.65 5.44 -9.51 -0.54 0
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427169 135155854 1 FO2N4H27C32 AB2C4D27E32 -2.95 3.78 -9.44 -0.45 0
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427170 135155856 1 SO2N4H24C30 AB2C4D24E30 59.76 6.6 -8.71 -0.82 0
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427171 135155859 1 BrO2N4H25C31 AB2C4D25E31 57.0 2.65 -9.34 -0.5 0
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427172 135155862 1 F3O3N7H28C34 A3B3C7D28E34 -120.48 4.57 -9.31 -0.98 0
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427173 135155870 1 FO2N4H25C31 AB2C4D25E31 8.39 2.6 -9.34 -0.64 0
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427174 135155871 1 O2N7H29C30 A2B7C29D30 69.14 2.36 -9.3 -0.46 0
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427175 135155875 1 O2F3N4H23C31 A2B3C4D23E31 -89.27 2.62 -9.51 -0.62 0
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427176 135155876 2 ON3H16C18 AB3C16D18 81.55 6.15 -9.14 -0.78 0
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427177 135155877 1 O3F7N7C33H34 A3B7C7D33E34 -382.94 4.4 -9.53 -1.52 0
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427178 135155880 1 O2F4N6C35H40 A2B4C6D35E40 -209.18 3.88 -9.64 -1.14 0
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427179 135155883 1 O2F7N9H26C34 A2B7C9D26E34 -257.14 9.42 -9.59 -1.63 0
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427180 135155907 1 FSO5N7C40H40 ABC5D7E40F40 -129.32 7.06 -8.56 -0.9 0
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427181 135155941 1 ClN5O5C41H42 AB5C5D41E42 -68.14 8.43 -8.87 -1.39 0
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427182 135155944 1 ClO4N7C41H42 AB4C7D41E42 -9.4 9.16 -8.6 -1.35 0
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427183 135155955 1 OF3N9H14C23 AB3C9D14E23 25.3 13.86 -9.34 -1.47 0
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427184 135155958 1 SO4N5C19H19 AB4C5D19E19 -112.32 5.82 -9.08 -1.04 0
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427185 135155970 1 SN2O2C15H18 AB2C2D15E18 -35.94 3.59 -9.15 -0.95 0
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427186 135155972 1 BrNO2C14H14 ABC2D14E14 43.25 4.86 -9.39 -0.69 0
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427187 135155973 1 ClN5O5C40H40 AB5C5D40E40 -66.16 8.63 -8.98 -1.46 0
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427188 135155987 1 FSO4N5H16C17 ABC4D5E16F17 -90.61 4.05 -8.69 -1.44 0
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427189 135155988 1 ClO2F3N8H16C23 AB2C3D8E16F23 -45.14 8.45 -9.7 -1.79 0
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427190 135155990 1 ClN3O5C40H42 AB3C5D40E42 -115.24 3.59 -8.1 -0.75 0
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427191 135155998 1 BrON2H17C18 ABC2D17E18 31.89 2.89 -8.3 -0.9 0
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427192 135156004 1 ClO5N6C37H39 AB5C6D37E39 -57.45 8.4 -8.66 -1.47 0
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427193 135156006 1 ClN5O5C42H42 AB5C5D42E42 -70.11 8.09 -8.96 -1.5 0
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427194 135156010 1 O2F3N4H7C12 A2B3C4D7E12 -128.91 4.9 -9.44 -1.25 0
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427195 135156012 1 ClN3C23H30 AB3C23D30 39.86 2.45 -8.28 0.03 0
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427196 135156082 1 OSN4C24H24 ABC4D24E24 165.18 8.07 -9.56 -1.4 0
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427197 135156083 1 ClFNSO3C7H7 ABCDE3F7G7 -145.71 5.42 -10.3 -1.67 0
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427198 135156084 1 OSN2C17H20 ABC2D17E20 -17.16 2.6 -9.11 -0.78 0
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427199 135156085 1 ClN4O6H41C42 AB4C6D41E42 -114.07 7.02 -8.92 -1.55 0
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427200 135156087 1 BrNO2C12H16 ABC2D12E16 -68.36 1.96 -9.71 -0.48 0
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427201 135156088 1 ClSN4O4C23H25 ABC4D4E23F25 -152.11 4.77 -9.0 -1.08 0
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427202 135156093 1 FSO2N4C18H19 ABC2D4E18F19 -60.01 6.44 -9.72 -1.72 0
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427203 135156094 1 OSN2C19H22 ABC2D19E22 0.38 2.63 -8.8 -0.81 0
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427204 135156111 1 ClO5N6C38H41 AB5C6D38E41 -54.71 6.98 -8.65 -1.32 0
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427205 135156112 1 SN2O3C13H14 AB2C3D13E14 -77.56 2.56 -9.4 -0.67 0
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427206 135156115 1 BrOSN4H9C13 ABCD4E9F13 48.12 10.28 -9.75 -1.78 0
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427207 135156117 1 ON4C19H22 AB4C19D22 8.09 9.24 -9.75 -1.33 0
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427208 135156122 1 OSN3C19H21 ABC3D19E21 9.96 7.74 -9.17 -1.22 0
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427209 135156123 1 FOSN3C18H18 ABCD3E18F18 -26.15 8.7 -9.26 -1.28 0
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427210 135156136 1 FOSN4C18H19 ABCD4E18F19 -22.28 6.24 -9.64 -1.6 0
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427211 135156137 1 ClF2O2N8C30H33 AB2C2D8E30F33 -97.64 5.01 -8.75 -0.89 0
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427212 135156140 1 Cl2N6H26C29 A2B6C26D29 124.49 3.25 -8.48 -0.78 0
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427213 135156145 1 FN2O2H13C14 AB2C2D13E14 -50.44 4.18 -10.45 -1.35 0
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427214 135156204 2 ClN4H12C13 AB4C12D13 156.73 3.74 -8.32 -0.3 0
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427215 135156215 1 Cl2N6H26C29 A2B6C26D29 123.59 3.4 -8.46 -0.85 0
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427216 135156220 1 FNOSC14H14 ABCDE14F14 -37.56 1.48 -8.47 -0.64 0
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427217 135156221 1 ClSF2O3N7H24C29 ABC2D3E7F24G29 -72.64 5.79 -8.84 -1.2 0
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427218 135156240 1 SCl2O2N6H22C23 AB2C2D6E22F23 18.78 6.88 -8.65 -0.78 0
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427219 135156241 1 SCl2O2N6C25H26 AB2C2D6E25F26 8.49 4.68 -8.67 -0.81 0
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427220 135156242 1 FCl2N6H21C27 AB2C6D21E27 90.49 4.1 -8.39 -0.9 0
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427221 135156243 1 ClSN3O3F4H16C21 ABC3D3E4F16G21 -249.77 3.88 -9.56 -1.28 0
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427222 135156244 1 OSN5C19H23 ABC5D19E23 32.32 7.48 -8.83 -1.48 0
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427223 135156245 1 SN4C19H22 AB4C19D22 78.37 4.84 -8.84 -1.05 0
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427224 135156246 1 FOSN5C20H24 ABCD5E20F24 -6.32 10.93 -8.76 -0.93 0
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427225 135156247 1 ClF3O3N5H13C21 AB3C3D5E13F21 -157.05 11.97 -9.78 -1.87 0
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427226 135156269 1 FSN3O4C22H24 ABC3D4E22F24 -130.8 5.12 -9.48 -1.38 0
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427227 135156275 1 ClN2O2C15H23 AB2C2D15E23 -112.38 3.58 -9.4 -0.8 0
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427228 135156276 1 OSN3H23C24 ABC3D23E24 62.79 4.96 -9.07 -1.52 0
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427229 135156279 1 FOCl2N7H24C29 ABC2D7E24F29 34.37 3.27 -8.82 -0.81 0
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427230 135156282 1 OCl2N6C26H26 AB2C6D26E26 45.16 1.45 -8.77 -0.86 0
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427231 135156286 1 ClSN4O4H15C17 ABC4D4E15F17 -56.21 7.13 -9.05 -1.05 0
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427232 135156288 1 FSO3N4C20H23 ABC3D4E20F23 -98.45 10.43 -9.62 -1.61 0
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427233 135156289 1 OSN3C19H21 ABC3D19E21 9.78 7.4 -9.16 -1.21 0
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427234 135156290 1 OSN3C19H21 ABC3D19E21 11.15 6.99 -9.45 -1.27 0
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427235 135156291 1 FCl2N6H21C27 AB2C6D21E27 93.14 3.42 -8.72 -0.82 0
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427236 135156334 1 FOSN5C22H26 ABCD5E22F26 -19.21 10.02 -9.42 -1.52 0
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427237 135156352 1 ON2C20H24 AB2C20D24 -12.49 3.62 -8.85 -0.61 1
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427238 135156363 1 SN4O5C41H47 AB4C5D41E47 -120.1 11.75 0.0 0.0 0
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427239 135156377 1 KNSO3H14C15 ABCD3E14F15 -140.82 8.24 -8.65 -0.7 0
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427240 135156378 1 NSO3C15H15 ABC3D15E15 -78.18 3.49 -8.94 -1.07 0
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427241 135156383 1 ClO5N6H33C34 AB5C6D33E34 -107.03 3.65 -8.68 -1.06 1
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427242 135156385 1 ClKN2S4O12C36H44 ABC2D4E12F36G44 -501.94 12.67 -6.72 -0.77 0
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427243 135156387 1 O2N3C24H31 A2B3C24D31 -53.91 3.49 -8.24 -0.23 0
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427244 135156388 2 NO2C9H12 AB2C9D12 -141.38 5.22 -9.62 -0.74 0
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427245 135156407 1 ON3C23H29 AB3C23D29 -6.15 6.31 -8.43 -0.21 0
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427246 135156408 3 OC4H8 AB4C8 -113.9 2.56 -9.76 -0.22 0
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427247 135156410 1 NO3C19H27 AB3C19D27 -123.71 4.72 -8.75 -0.42 0
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427248 135156414 1 NO4C20H27 AB4C20D27 -184.23 7.88 -9.51 -0.6 0
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427249 135156415 1 NO4C20H27 AB4C20D27 -184.71 5.27 -9.55 -0.7 0
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427250 135156420 1 FON3C24H32 ABC3D24E32 -81.39 4.58 -8.53 -0.47 0
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427251 135156421 1 FSO2N4C18H19 ABC2D4E18F19 -57.58 9.77 -9.6 -1.41 0
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427252 135156423 1 ON3C21H27 AB3C21D27 -18.67 4.42 -8.24 -0.33 0
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427253 135156424 1 NO4C18H23 AB4C18D23 -173.18 7.53 -9.66 -0.7 0
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427254 135156425 1 N3O4C26H33 A3B4C26D33 -153.08 7.74 -9.0 -0.64 0
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427255 135156461 1 ON4F7H11C21 AB4C7D11E21 -287.89 10.36 -9.93 -1.95 0
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427256 135156465 1 OSN4C18H20 ABC4D18E20 23.04 8.03 -9.54 -1.41 0
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427257 135156485 2 NO2C3H5 AB2C3D5 -172.19 5.85 -10.31 0.04 0
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427258 135156496 1 NO3C18H25 AB3C18D25 -121.46 8.28 -8.85 -0.5 0
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427259 135156512 1 ClN2O2H9C14 AB2C2D9E14 -7.06 6.14 -9.75 -1.51 0