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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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297321 117615092 1 F2N9C28H33 A2B9C28D33 20.31 3.27 -7.8 -0.44 0
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297322 117615099 2 NO2C9H9 AB2C9D9 -103.71 6.88 -9.13 -0.93 0
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297323 117615103 1 NC13H21 AB13C21 -11.56 4.23 -9.54 0.44 0
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297324 117615145 1 INOC6H14 ABCD6E14 -54.73 1.9 -9.61 -0.9 0
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297325 117615154 1 N2C9H10 A2B9C10 66.45 0.71 -8.96 -0.89 0
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297326 117615155 1 NC11H17 AB11C17 11.02 1.39 -8.52 0.56 0
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297327 117615167 1 Cl2N4C23H26 A2B4C23D26 51.63 7.56 -9.0 -0.69 0
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297328 117615178 1 NO4C10H11 AB4C10D11 -121.73 2.47 -9.4 -0.74 0
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297329 117615186 1 N5C23H29 A5B23C29 62.68 6.25 -8.73 -0.29 0
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297330 117615189 1 ON4C25H32 AB4C25D32 22.82 5.26 -8.86 -0.11 0
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297331 117615203 2 N2C13H19 A2B13C19 14.77 4.96 -8.7 -0.08 0
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297332 117615207 1 N4C25H36 A4B25C36 34.61 3.55 -8.88 -0.18 0
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297333 117615208 1 NOC10H19 ABC10D19 -61.57 4.65 -8.88 0.79 0
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297334 117615235 1 N2C13H22 A2B13C22 18.96 1.92 -8.69 1.24 0
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297335 117615239 1 FN3C21H32 AB3C21D32 -41.39 2.32 -8.18 0.04 0
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297336 117615344 1 FSN17O18C94H120 ABC17D18E94F120 -649.41 28.79 -6.02 -1.99 0
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297337 117615346 1 PSN16O17C93H119 ABC16D17E93F119 -542.52 27.79 -6.97 -1.76 0
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297338 117615347 1 FSN17O18C94H120 ABC17D18E94F120 -621.36 40.47 -7.42 -2.98 0
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297339 117615362 1 ClS2O17N23C93H130 AB2C17D23E93F130 -434.86 10.18 -8.14 -1.27 0
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297340 117615399 1 SO18N24C90H126 AB18C24D90E126 -594.18 20.06 -7.92 -1.95 0
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297341 117615440 1 PSN16O19C95H123 ABC16D19E95F123 -598.51 35.72 -6.88 -2.2 0
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297343 117615475 1 SN16O19C97H124 AB16C19D97E124 -674.49 26.0 -7.78 -2.03 0
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297344 117615481 1 SO18N25C88H125 AB18C25D88E125 -405.88 12.56 -8.43 -0.78 0
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297345 117615549 1 O3N5C13H13 A3B5C13D13 -39.34 10.08 -8.93 -0.99 0
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297346 117615574 1 SO18N20C89H124 AB18C20D89E124 -455.53 8.36 -7.51 -1.94 0