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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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440220 135230132 1 NO2C29H31 AB2C29D31 -8.07 1.72 -8.22 0.01 0
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440221 135230135 1 SN2O6H22C23 AB2C6D22E23 -167.57 6.3 -8.33 -0.98 0
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440222 135230136 1 ClN4C12H15 AB4C12D15 45.88 6.42 -8.95 -0.7 0
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440223 135230141 1 ON8C26H34 AB8C26D34 34.27 7.38 -8.23 -0.8 0
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440224 135230155 1 BrClN2S2O4C32H38 ABC2D2E4F32G38 -121.64 1.57 -9.47 -1.31 0
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440225 135230156 1 ClN2S2O5C29H41 AB2C2D5E29F41 -204.11 1.41 -9.48 -1.33 0
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440226 135230157 1 BrClN2S2O4C32H38 ABC2D2E4F32G38 -119.66 0.46 -9.48 -1.33 0
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440227 135230158 1 ClS2O4N5C29H36 AB2C4D5E29F36 -82.19 3.64 -9.01 -1.41 0
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440228 135230159 1 ClN2S2O5C25H27 AB2C2D5E25F27 -143.17 0.93 -9.25 -1.34 0
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440229 135230160 1 FS4N5O8H56C57 AB4C5D8E56F57 -157.72 3.98 -9.37 -1.31 0
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440230 135230161 1 N4S4O15C57H66 A4B4C15D57E66 -435.41 3.17 -8.16 -1.32 0
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440231 135230162 1 N2O4C27H28 A2B4C27D28 -105.66 9.17 -8.46 -1.2 1
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440233 135230164 1 SN3O8C34H39 AB3C8D34E39 -277.26 15.54 -8.36 -1.2 0
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440234 135230165 1 ClFN6S6O14C82H92 ABC6D6E14F82G92 -413.24 6.94 -8.76 -1.43 0
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440235 135230166 1 N2C9H14 A2B9C14 48.0 2.29 -8.5 0.28 0
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440236 135230167 2 NOC3H6 ABC3D6 -41.72 3.25 -9.59 -1.02 0
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440237 135230168 1 ClS2N4O4C32H41 AB2C4D4E32F41 -114.45 4.77 -8.36 -1.35 0
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440238 135230169 1 ClS2N3O4C24H32 AB2C3D4E24F32 -130.58 1.75 -9.05 -1.34 0
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440239 135230170 1 O2N3C19H31 A2B3C19D31 -106.15 2.62 -8.5 -0.12 0
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440240 135230171 2 SN2O2C16H21 AB2C2D16E21 -97.49 1.6 -9.01 -1.33 0
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440241 135230172 2 ON2C6H6 AB2C6D6 24.28 3.53 -9.78 -1.37 0
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440242 135230173 1 BrS2N3O4C31H38 AB2C3D4E31F38 -94.82 2.89 -8.97 -1.25 0
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440243 135230174 1 Cl2S4O8N11C61H77 A2B4C8D11E61F77 -195.75 2.65 -9.06 -1.38 0
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440244 135230175 1 FN2S2O4C25H29 AB2C2D4E25F29 -136.02 1.58 -9.11 -1.36 0
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440245 135230176 1 NSC6H15 ABC6D15 -25.87 1.51 -8.89 0.44 0
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440246 135230177 1 SF3C7H11 AB3C7D11 -162.76 2.68 -9.04 0.15 0
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440247 135230178 1 SN5H15C18 AB5C15D18 132.87 2.3 -8.71 -1.07 0
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440248 135230179 1 S2O4N15H29C34 A2B4C15D29E34 171.23 10.23 -8.88 -1.44 0
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440249 135230180 1 F2O2S2N9H31C44 A2B2C2D9E31F44 101.64 10.48 -8.48 -1.04 0
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440250 135230181 1 O2S3F4N15H25C36 A2B3C4D15E25F36 108.87 6.82 -9.42 -1.47 0
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440251 135230182 1 S3O4N14C30H30 A3B4C14D30E30 143.85 11.16 -9.08 -1.32 0
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440252 135230183 1 OSN8H18C19 ABC8D18E19 149.63 8.98 -9.07 -1.05 0
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440253 135230184 1 OSN7C15H17 ABC7D15E17 92.36 10.2 -9.01 -0.87 0
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440254 135230185 1 OS2N15H31C34 AB2C15D31E34 293.67 10.12 -9.03 -1.38 0
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440255 135230186 1 OSN8H16C17 ABC8D16E17 124.48 3.08 -9.42 -1.23 0
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440256 135230187 1 S2N7H11C13 A2B7C11D13 180.87 7.23 -9.24 -1.27 0
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440257 135230188 1 SN8H10C13 AB8C10D13 195.57 1.61 -9.5 -1.3 0
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440258 135230189 1 ClSF2N2O2H9C12 ABC2D2E2F9G12 -125.86 4.65 -9.56 -1.11 0
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440259 135230190 1 SN6C16H18 AB6C16D18 104.59 0.9 -8.56 -0.43 0
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440260 135230191 1 NOSC13H13 ABCD13E13 15.99 3.06 -8.52 -0.67 0
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440261 135230192 1 SN7H15C16 AB7C15D16 163.76 7.91 -9.21 -1.14 0
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440262 135230193 1 OSN7C18H19 ABC7D18E19 124.47 8.62 -8.95 -0.85 0
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440263 135230194 2 SN2O3C13H15 AB2C3D13E15 -154.42 2.65 -9.6 -1.11 0
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440264 135230195 1 OSN7H15C16 ABC7D15E16 133.93 3.42 -9.15 -1.04 0
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440265 135230196 1 SO2N7C17H17 AB2C7D17E17 99.55 7.93 -8.98 -0.92 0
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440266 135230197 1 SN8H12C14 AB8C12D14 186.91 5.46 -9.34 -1.31 0
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440267 135230198 1 BrClS2N4O4C31H38 ABC2D4E4F31G38 -108.43 3.45 -8.65 -1.38 0
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440268 135230199 1 SO2N7C20H23 AB2C7D20E23 79.14 12.28 -8.85 -0.81 0
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440269 135230200 1 OSF3N7C18H18 ABC3D7E18F18 -35.4 3.32 -8.89 -0.94 0
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440270 135230201 1 ClSF2O2N6H17C25 ABC2D2E6F17G25 -21.68 1.33 -9.07 -1.32 0
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440271 135230202 1 SN2O3C10H18 AB2C3D10E18 -142.87 2.83 -8.41 0.07 0
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440272 135230203 1 N2O4C41H56 A2B4C41D56 -159.81 4.44 -8.56 -0.54 0
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440273 135230204 1 FS4N5O10C48H50 AB4C5D10E48F50 -247.06 3.43 -9.19 -1.32 0
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440274 135230206 1 N3C15H31 A3B15C31 -37.12 2.77 -8.71 2.5 0
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440275 135230207 1 IN4C24H47 AB4C24D47 -37.22 2.28 -8.43 -0.45 0
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440276 135230215 1 OSN5H11C15 ABC5D11E15 128.91 2.69 -8.78 -1.05 0
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440277 135230216 1 ClSN6C9H11 ABC6D9E11 96.81 4.71 -8.4 -0.91 0
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440278 135230218 1 ClS2N7H10C13 AB2C7D10E13 182.81 6.44 -9.14 -1.32 0
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440279 135230224 1 SN7C21H29 AB7C21D29 125.44 2.9 -8.58 -0.26 0
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440280 135230227 1 ClOSN8H17C19 ABCD8E17F19 146.28 4.69 -9.03 -1.04 0
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440281 135230228 1 ClSN8H13C15 ABC8D13E15 166.29 6.78 -9.02 -1.12 0
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440282 135230229 1 N3O4C36H45 A3B4C36D45 -116.13 9.0 -8.31 -1.0 0
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440283 135230230 1 O2N3H11C16 A2B3C11D16 56.38 2.67 -9.22 -1.73 0
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440284 135230231 1 N3C15H23 A3B15C23 40.15 0.21 -9.09 0.27 0
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440285 135230232 1 ClOSF3N3C11H17 ABCD3E3F11G17 -196.68 7.22 -8.49 -0.24 0
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440286 135230233 3 NOC4H7 ABC4D7 -156.91 4.33 -9.57 0.4 0
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440287 135230234 1 SC17H22 AB17C22 31.86 2.12 -8.23 0.64 0
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440288 135230235 1 NOC7H15 ABC7D15 -26.38 1.56 -9.57 1.86 0
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440289 135230236 1 OSN7C13H15 ABC7D13E15 91.25 9.02 -9.02 -0.92 0
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440290 135230237 1 BrSN7H12C15 ABC7D12E15 180.67 3.04 -9.12 -1.21 0
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440291 135230238 1 SO2N7C15H17 AB2C7D15E17 62.5 3.58 -9.29 -1.12 0
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440292 135230239 1 ISN7H12C15 ABC7D12E15 193.88 7.2 -9.19 -1.27 0
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440293 135230240 1 OSN7C13H15 ABC7D13E15 97.13 9.6 -9.06 -0.93 0
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440294 135230241 1 ClS3N22H29C42 AB3C22D29E42 548.12 4.93 -8.96 -1.59 0
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440295 135230242 1 ClS3N21H38C50 AB3C21D38E50 524.69 7.61 -9.0 -1.54 0