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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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431187 135171257 1 O2N4C25H28 A2B4C25D28 0.4 3.38 -9.01 -0.68 0
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431188 135171258 1 ClO2N3H18C21 AB2C3D18E21 3.53 2.56 -8.17 -1.6 0
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431189 135171259 1 ON5C22H27 AB5C22D27 28.29 4.48 -8.81 -0.55 0
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431190 135171260 1 O2N4C25H28 A2B4C25D28 3.02 2.61 -8.72 -0.78 0
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431191 135171261 1 NO2C14H19 AB2C14D19 -81.37 2.7 -9.15 0.35 0
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431192 135171262 1 O2N5C22H27 A2B5C22D27 -27.27 9.15 -9.06 -0.45 0
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431193 135171263 1 ON5C25H29 AB5C25D29 43.04 5.91 -8.57 -0.48 0
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431194 135171264 1 ClO3N5C35H38 AB3C5D35E38 -49.45 7.64 -8.45 -0.77 0
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431195 135171265 1 SO2N6C24H28 AB2C6D24E28 -8.5 12.54 -8.01 -0.98 0
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431196 135171266 1 OC28H50 AB28C50 -125.22 2.16 -8.7 0.44 0
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431197 135171267 1 PSO2N5C20H22 ABC2D5E20F22 -30.85 6.63 -8.29 -0.76 0
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431198 135171268 1 N2F3C8H15 A2B3C8D15 -180.14 4.16 -9.41 1.51 0
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431199 135171269 1 O2N3C24H29 A2B3C24D29 -38.26 2.83 -8.71 -0.51 0
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431200 135171270 1 S2F3N4O5H17C20 A2B3C4D5E17F20 -256.06 4.84 -8.14 -1.76 0
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431201 135171271 1 OSF4N4C16H18 ABC4D4E16F18 -197.38 4.17 -8.3 -1.28 0
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431202 135171272 1 O2N6C27H28 A2B6C27D28 36.06 8.54 -9.17 -1.03 0
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431203 135171273 4 NOC6H7 ABC6D7 -23.92 5.89 -8.45 -0.83 0
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431204 135171274 1 SO4N13H49C53 AB4C13D49E53 148.64 6.87 -9.14 -1.08 0
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431205 135171275 1 N3C5H7 A3B5C7 52.2 7.77 -9.3 -0.36 0
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431206 135171276 1 N3C8H9 A3B8C9 59.69 2.77 -10.22 -1.24 0
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431207 135171277 1 ClO2N5C20H24 AB2C5D20E24 -16.45 2.67 -8.21 -0.71 0
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431210 135171280 1 O2N5C21H27 A2B5C21D27 8.4 2.97 -9.22 -0.72 0
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431211 135171281 1 ClFO2N5C19H21 ABC2D5E19F21 -44.84 4.61 -8.57 -0.83 0
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431212 135171282 1 O2N3C26H29 A2B3C26D29 -13.4 1.88 -8.88 -0.55 0
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431213 135171283 1 O2N5C21H27 A2B5C21D27 11.05 4.19 -9.28 -0.84 0
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431214 135171284 1 O2N7C21H25 A2B7C21D25 42.92 7.94 -8.79 -0.98 0
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431215 135171285 2 ON2C10H16 AB2C10D16 -39.51 4.26 -8.51 -0.2 0
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431216 135171286 1 O2F3N5C19H24 A2B3C5D19E24 -186.1 4.56 -8.74 -0.36 0
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431217 135171287 1 ClN3O3C20H22 AB3C3D20E22 -76.52 8.39 -9.11 -0.78 0
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431218 135171288 1 O3N5C26H29 A3B5C26D29 -29.56 1.74 -8.76 -0.92 0
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431219 135171289 1 OSN5C20H25 ABC5D20E25 31.37 4.3 -9.19 -0.73 0
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431220 135171290 1 O4N5C26H31 A4B5C26D31 -68.24 3.3 -8.76 -0.84 0
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431221 135171291 1 O2N5C23H29 A2B5C23D29 27.74 3.47 -9.21 -0.66 0
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431222 135171292 1 O2N5C23H29 A2B5C23D29 26.22 1.19 -9.11 -0.69 0
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431223 135171293 1 FN3O3H16C18 AB3C3D16E18 -88.25 4.27 -9.52 -1.04 0
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431224 135171294 1 OSN5C20H25 ABC5D20E25 28.03 2.34 -9.16 -0.71 0
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431225 135171295 1 ON5C24H31 AB5C24D31 6.91 5.99 -8.5 -0.43 0
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431226 135171296 1 ON5C25H33 AB5C25D33 7.42 4.62 -8.17 -0.61 0
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431227 135171297 1 PSO3N5C22H28 ABC3D5E22F28 -45.01 5.7 -8.05 -0.43 0
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431232 135171302 1 BrN2O2C7H7 AB2C2D7E7 -37.86 3.28 -10.47 -1.61 0
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431233 135171303 1 PSO2N5C19H20 ABC2D5E19F20 -20.95 6.22 -8.26 -0.74 0
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431234 135171304 1 O3N5C27H31 A3B5C27D31 -34.03 3.17 -8.76 -0.85 0
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431235 135171305 1 O3N5C20H27 A3B5C20D27 -50.34 3.41 -8.62 -0.32 0
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431236 135171307 1 IN2H3O3C5 AB2C3D3E5 -89.41 4.99 -9.97 -1.85 0
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431237 135171308 1 O2N3C14H17 A2B3C14D17 -43.2 1.35 -8.63 -0.73 0
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431238 135171309 1 O2N3C11H13 A2B3C11D13 30.64 6.66 -9.34 -1.47 0
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431239 135171310 1 N2O2C15H18 A2B2C15D18 -52.31 3.4 -8.28 -0.46 0
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431240 135171311 1 SO2N6C24H28 AB2C6D24E28 -2.56 12.22 -8.0 -1.07 0
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431241 135171312 1 OSN5C21H27 ABC5D21E27 29.83 2.62 -8.87 -0.44 0
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431242 135171313 1 O3N5C29H35 A3B5C29D35 -65.67 4.19 -9.22 -1.28 0
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431243 135171314 1 OF2N3C24H27 AB2C3D24E27 -92.92 5.24 -8.84 -0.64 0
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431244 135171315 1 FO2N4C25H27 AB2C4D25E27 -46.55 4.54 -9.06 -0.68 0
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431245 135171316 1 FNOSC8H8 ABCDE8F8 -73.72 6.03 -8.43 -0.68 0
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431246 135171317 1 ClSO2C10H13 ABC2D10E13 -87.82 3.89 -8.74 -0.63 0
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431247 135171318 1 NSO2C10H13 ABC2D10E13 -77.69 2.66 -8.14 -0.14 0
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431248 135171319 1 N2O2C21H34 A2B2C21D34 -108.77 4.06 -8.65 0.53 0
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431249 135171320 1 FNSO3C8H8 ABCD3E8F8 -155.41 8.15 -10.28 -1.01 0
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431250 135171321 1 ClOSC6H7 ABCD6E7 -34.53 4.71 -8.62 -0.76 0
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431251 135171322 2 ON2C11H14 AB2C11D14 -3.68 6.89 -8.73 -0.19 0
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431252 135171323 1 ON5C22H27 AB5C22D27 31.3 5.86 -9.2 -0.9 0
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431253 135171324 1 ON5C22H27 AB5C22D27 29.07 4.81 -9.24 -1.03 0
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431254 135171325 1 O2N3C25H29 A2B3C25D29 -32.48 3.35 -8.83 -0.45 0
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431255 135171326 1 O2N3C16H19 A2B3C16D19 -32.54 1.64 -8.36 -0.52 0
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431256 135171327 1 ION3F4H8C15 ABC3D4E8F15 -114.12 5.75 -9.27 -1.47 0
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431257 135171328 1 OF4N4H10C15 AB4C4D10E15 -138.33 5.97 -8.75 -1.16 0
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431258 135171329 1 FN5C23H30 AB5C23D30 9.76 5.6 -8.11 -0.28 0
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431259 135171330 1 SN6C20H24 AB6C20D24 90.17 9.08 -7.55 -0.56 0
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431260 135171331 1 SO4C10H16 AB4C10D16 -197.71 4.97 -9.88 -0.57 0
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431261 135171332 1 O2N4C27H28 A2B4C27D28 24.37 4.04 -8.88 -1.01 0
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431262 135171333 1 OSN4C25H28 ABC4D25E28 31.84 1.48 -8.56 -0.63 0
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431263 135171334 1 O2N4C27H28 A2B4C27D28 21.3 7.9 -9.12 -0.73 0
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431264 135171335 1 OSN4C25H28 ABC4D25E28 35.74 2.45 -8.67 -0.65 1
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431265 135171336 1 NS2O6C16H24 AB2C6D16E24 -236.27 8.29 0.0 0.0 0
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431266 135171337 1 O2C15H26 A2B15C26 -113.35 1.37 -8.49 0.27 0
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431267 135171338 1 FO2N5C24H32 AB2C5D24E32 -71.25 5.67 -8.57 -0.38 0
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431268 135171339 2 NC7H7 AB7C7 57.63 1.28 -7.97 -0.23 0
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431269 135171340 1 N2C9H12 A2B9C12 72.68 2.85 -9.14 -0.36 0
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431270 135171341 1 ON4C18H22 AB4C18D22 10.9 6.52 -9.22 -0.86 0
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431271 135171342 1 ON3F6H11C12 AB3C6D11E12 -318.14 3.09 -8.89 -1.36 0
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431272 135171343 1 SN2O2F3H19C20 AB2C2D3E19F20 -172.66 4.83 -8.9 -1.42 0
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431273 135171344 1 O3N5C22H29 A3B5C22D29 -95.63 6.41 -9.59 -1.25 0
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431274 135171345 1 O3N4C23H28 A3B4C23D28 -82.15 3.18 -9.25 -0.65 0
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431275 135171346 1 N3O3C24H29 A3B3C24D29 -93.34 3.54 -8.78 -0.42 0
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431276 135171347 1 O2N6H26C27 A2B6C26D27 67.13 3.58 -9.46 -1.34 0
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431277 135171348 1 O2N6H26C27 A2B6C26D27 63.54 7.99 -9.33 -1.16 0
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431278 135171349 1 ON5C17H21 AB5C17D21 22.87 5.67 -9.19 -1.33 0
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431279 135171350 1 OF3N3C25H28 AB3C3D25E28 -159.16 6.51 -9.21 -0.73 0
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431280 135171351 1 ClON4C15H17 ABC4D15E17 22.47 5.28 -9.25 -0.64 0
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431281 135171352 1 ClN3O4C19H22 AB3C4D19E22 -111.28 6.3 -8.54 -0.64 0
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431282 135171353 1 FON5C24H26 ABC5D24E26 0.64 3.1 -9.38 -0.86 0
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431283 135171354 1 O2N5C23H25 A2B5C23D25 83.37 6.28 -9.13 -0.96 0
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431284 135171355 1 OF3N3C25H28 AB3C3D25E28 -159.47 4.87 -8.7 -0.91 0
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431285 135171356 1 ClO3N4C21H23 AB3C4D21E23 -68.39 8.78 -8.46 -0.66 0
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431286 135171357 1 N3O4C19H23 A3B4C19D23 -90.94 4.79 -8.43 -0.96 0
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431287 135171358 1 ClON4C16H19 ABC4D16E19 11.47 4.45 -9.17 -0.48 0
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431288 135171359 1 ClFO2N3C17H19 ABC2D3E17F19 -74.09 4.76 -8.41 -0.62 0
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431289 135171360 1 SBr2O2N4C13H14 AB2C2D4E13F14 -12.38 7.2 -9.09 -1.11 0
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431290 135171361 3 NC2H3 AB2C3 59.45 3.14 -8.48 -0.11 0
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431291 135171362 1 O2N7C26H29 A2B7C26D29 110.08 5.23 -8.72 -0.82 0
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431292 135171363 1 ClO2N4C20H23 AB2C4D20E23 -33.98 6.98 -9.1 -0.57 0