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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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402289 135055361 1 CrO10H25C26 AB10C25D26 -184.42 2.38 0.0 0.0 0
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402290 135055362 1 O5C20H22 A5B20C22 -158.62 1.35 -9.27 -1.18 0
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402291 135055363 1 NSSiO3C25H39 ABCD3E25F39 -166.84 7.46 -8.49 -0.52 0
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402292 135055364 1 NO3C16H23 AB3C16D23 -131.83 4.23 -9.22 0.39 0
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402293 135055365 2 O2C8H11 A2B8C11 -153.55 1.55 -9.4 0.3 0
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402294 135055366 2 O2C8H11 A2B8C11 -156.25 1.21 -9.32 0.37 0
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402295 135055368 1 O5C14H18 A5B14C18 -196.92 6.56 -9.51 -0.78 0
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402297 135055373 1 NOF3C19H26 ABC3D19E26 -189.44 5.25 -9.54 0.1 0
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402298 135055375 1 NSiF3O3C19H28 ABC3D3E19F28 -308.73 5.47 -8.9 -0.34 0
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402299 135055376 2 OC8H9 AB8C9 -51.96 1.64 -9.04 0.4 0
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402301 135055378 2 O2C8H11 A2B8C11 -171.92 5.81 -9.11 -0.35 0
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402302 135055379 1 FOH13C15 ABC13D15 -40.13 3.13 -9.37 -0.6 0
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402303 135055380 1 O2C25H40 A2B25C40 -127.54 1.54 -8.84 0.4 0
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402304 135055381 1 O3C20H28 A3B20C28 -115.22 5.24 -9.74 -0.73 0
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402305 135055392 1 SiO2C24H36 AB2C24D36 -137.78 1.98 -8.98 0.1 0
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402306 135055404 1 FNO4C13H18 ABC4D13E18 -233.2 2.49 -9.88 -0.36 0
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402307 135055409 1 NO2S2C10H17 AB2C2D10E17 -86.41 7.59 -8.56 -0.92 0
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402308 135055410 1 NOC17H21 ABC17D21 -3.58 1.86 -7.87 0.28 0
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402309 135055413 1 O2H20C25 A2B20C25 -10.48 2.92 -8.84 -0.7 0
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402310 135055418 1 PO8C9H17 AB8C9D17 -425.19 5.24 -10.13 -0.59 0
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402311 135055424 1 PC7O9H15 AB7C9D15 -479.71 3.66 -10.48 -1.04 0
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402312 135055434 1 O3C8H12 A3B8C12 -69.21 2.19 -9.63 1.43 0
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402313 135055437 1 NSO6C19H19 ABC6D19E19 -212.32 7.6 -9.83 -0.73 0
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402314 135055466 1 BrN2O4H17C20 AB2C4D17E20 -97.76 5.97 -9.76 -1.69 0
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402315 135055467 1 N2F3O4H17C21 A2B3C4D17E21 -262.2 7.32 -10.37 -1.78 0
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402316 135055471 1 NSSiO3C25H43 ABCD3E25F43 -207.49 4.82 -8.75 -0.3 0
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402317 135055479 1 N3O6C17H21 A3B6C17D21 -146.35 4.21 -10.17 -1.92 0
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402318 135055493 1 ON2C17H20 AB2C17D20 -27.98 4.55 -8.46 -0.1 0
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402319 135055498 1 BrN2O2H29C36 AB2C2D29E36 72.36 1.68 -8.49 -0.66 0
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402320 135055505 1 ClNO5H26C28 ABC5D26E28 -147.18 2.94 -8.83 -0.54 0
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402321 135055506 1 NO3H23C24 AB3C23D24 -51.78 3.03 -8.42 0.1 0
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402322 135055511 1 ON2F3H21C22 AB2C3D21E22 -130.62 5.71 -8.2 -0.93 0
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402323 135055512 1 ClC17H19 AB17C19 18.3 3.43 -8.51 -0.04 0
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402324 135055520 1 NSO4C20H25 ABC4D20E25 -132.27 6.83 -9.26 -0.38 0
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402325 135055526 2 SO6H20C21 AB6C20D21 -360.22 4.7 -9.64 -1.09 0
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402326 135055531 1 CrN2O7C31H32 AB2C7D31E32 -174.62 2.6 -8.19 -0.33 0
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402327 135055532 1 CrN2O2C26H32 AB2C2D26E32 69.23 5.09 -7.39 -0.03 -3
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402329 135055535 1 S2O3C16H18 A2B3C16D18 -98.97 3.56 -8.93 -0.73 0
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402330 135055536 1 NO3C12H21 AB3C12D21 -152.16 4.18 -9.71 0.41 0
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402331 135055537 1 NC11H17 AB11C17 15.66 1.87 -8.46 0.57 0
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402332 135055538 2 OC7H10 AB7C10 -91.04 5.34 -8.89 -0.03 0
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402334 135055542 1 NO2H23C25 AB2C23D25 4.6 0.88 -8.68 -0.05 0
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402335 135055550 1 BrNOH18C22 ABCD18E22 43.01 3.4 -8.54 -0.21 0
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402336 135055553 1 NSO2C23H27 ABC2D23E27 -49.06 5.98 -8.64 -0.38 0
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402337 135055556 1 FNS2O3C20H26 ABC2D3E20F26 -137.4 4.97 -8.2 -0.56 0
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402339 135055564 1 NO2C12H15 AB2C12D15 -42.53 2.13 -8.94 -0.16 0
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402340 135055574 1 NOC20H21 ABC20D21 14.77 2.13 -7.84 -0.5 0
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402341 135055578 1 O4C11H14 A4B11C14 -151.98 4.4 -9.74 -0.04 0
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402342 135055581 1 NOC18H33 ABC18D33 -64.65 2.13 -8.41 0.87 0
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402343 135055586 1 P2N9O17C27H35 A2B9C17D27E35 -692.92 13.97 -8.93 -1.66 0