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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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161216 57391061 1 NSO6C13H17 ABC6D13E17 -222.19 2.67 -8.88 -0.63 0
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161218 57391072 1 F2N3O4C36H45 A2B3C4D36E45 -237.75 4.32 -8.83 -0.7 0
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161219 57391073 1 F3N3O3H14C19 A3B3C3D14E19 -182.42 5.33 -8.36 -1.63 0
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161220 57391075 1 F2N3O4C31H41 A2B3C4D31E41 -277.04 6.26 -9.23 -0.51 0
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161221 57391076 1 O2F3N5C26H26 A2B3C5D26E26 -135.08 5.48 -9.39 -1.02 0
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161222 57391079 1 FN5H12C16 AB5C12D16 79.19 3.13 -8.59 -0.87 0
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161223 57391080 1 F4N5H11C17 A4B5C11D17 -72.59 2.67 -8.53 -0.75 0
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161224 57391092 1 ClO2F4N7C29H32 AB2C4D7E29F32 -215.45 4.18 -8.33 -0.92 0
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161226 57391098 1 O4N7C13H17 A4B7C13D17 -76.3 6.75 -9.1 -0.95 0
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161227 57391099 1 BrClNO2H17C18 ABCD2E17F18 -43.78 4.21 -9.38 -0.7 0
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161228 57391100 1 O5H14C16 A5B14C16 -166.71 1.89 -8.97 -0.91 0
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161229 57391104 1 BrON5H10C11 ABC5D10E11 79.62 4.09 -9.15 -1.46 0
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161230 57391105 1 NaO3N5H14C15 AB3C5D14E15 -47.46 9.22 -7.56 -0.59 -1
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161231 57391106 1 O3N5H14C15 A3B5C14D15 7.77 4.56 0.0 0.0 0
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161232 57391109 1 ClN2O3C16H17 AB2C3D16E17 -84.52 5.8 -9.22 -0.4 0
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161234 57391112 1 SO2N8C21H24 AB2C8D21E24 72.54 15.69 -8.13 -0.45 0
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161238 57391122 1 FON5C21H30 ABC5D21E30 -61.25 3.42 -8.83 -0.01 0
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161239 57391124 1 ClO3N6H23C27 AB3C6D23E27 24.39 2.81 -8.85 -0.99 0
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161240 57391129 1 SN4C12H16 AB4C12D16 54.11 2.67 -8.46 -0.8 0
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161241 57391134 1 OCl2H2N2C5 AB2C2D2E5 48.94 2.45 -9.71 -1.69 0
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161242 57391142 1 N6C17H18 A6B17C18 131.72 3.3 -8.23 -0.55 0
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161243 57391144 2 ON3C12H13 AB3C12D13 32.85 8.47 -8.16 -0.8 0
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161245 57391147 1 Cl2S2N3O6H13C19 A2B2C3D6E13F19 -167.4 5.51 -10.39 -1.58 0
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161246 57391151 1 FSN2O2H9C14 ABC2D2E9F14 -28.61 6.99 -8.88 -1.43 0
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161247 57391154 1 ON2S2H8C12 AB2C2D8E12 40.82 3.16 -8.85 -1.88 0
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161248 57391156 2 ClN2O2C17H20 AB2C2D17E20 -127.03 2.1 -8.77 -0.65 0
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161250 57391159 1 ClFOS2N5H19C22 ABCD2E5F19G22 23.01 3.31 -8.25 -1.16 0
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161251 57391161 2 N2O2H13C17 A2B2C13D17 131.3 5.91 -9.15 -1.18 0
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161253 57391166 1 ClON4H15C18 ABC4D15E18 61.04 6.36 -8.52 -1.43 0
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161254 57391169 1 NC13H17 AB13C17 59.91 5.91 -9.26 -0.94 0
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161256 57391174 1 N2O3H20C21 A2B3C20D21 -21.84 3.99 -8.69 -1.12 0
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161257 57391175 1 N2O4H20C21 A2B4C20D21 -51.29 4.82 -8.45 -1.17 0
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161258 57391176 1 N2O4H20C21 A2B4C20D21 -47.56 3.39 -8.41 -1.14 0
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161259 57391180 1 O3N7C23H25 A3B7C23D25 16.41 2.07 -7.92 -0.84 0
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161260 57391181 1 SO3N5C28H29 AB3C5D28E29 -3.83 5.65 -8.87 -1.62 0
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161261 57391182 1 F2N5O5C39H49 A2B5C5D39E49 -278.41 7.0 -9.18 -0.57 0
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161262 57391184 1 ClO2N6H19C20 AB2C6D19E20 53.79 1.96 -8.52 -0.81 0
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161263 57391192 1 BrNO2C26H26 ABC2D26E26 -13.1 4.52 -8.95 -0.82 0
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161264 57391194 1 FSN2O3C21H21 ABC2D3E21F21 -119.68 5.66 -8.78 -0.42 0
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161266 57391203 1 SN2O4C22H24 AB2C4D22E24 -60.49 4.38 -8.98 -0.94 0
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161267 57391206 1 ClNO2C13H18 ABC2D13E18 -105.91 3.37 -9.15 -0.85 0
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161269 57391212 1 O3N4F6H16C22 A3B4C6D16E22 -306.11 3.49 -9.15 -1.89 0
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161271 57391214 1 ClON2H19C28 ABC2D19E28 109.13 7.04 -8.36 -0.93 0
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161272 57391217 1 ClO3H4N5C9 AB3C4D5E9 103.52 4.59 -9.94 -2.67 0
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161273 57391220 1 FN5O5C42H48 AB5C5D42E48 -172.83 4.83 -8.68 -0.42 0
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161274 57391222 1 FSO2N5H16C19 ABC2D5E16F19 -5.62 5.45 -8.75 -1.1 0
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161275 57391224 1 SN3O4C21H23 AB3C4D21E23 -64.62 8.57 -9.65 -1.32 0
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161276 57391229 1 BrClN4O4C31H32 ABC4D4E31F32 -7.75 12.7 -8.65 -1.44 1
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161277 57391230 1 ClN4O4C31H32 AB4C4D31E32 19.88 8.05 0.0 0.0 1
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161278 57391232 1 ClSO3N4C29H40 ABC3D4E29F40 -94.4 4.46 0.0 0.0 0