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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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405267 135073316 1 N2O2F3H12C13 A2B2C3D12E13 -145.51 5.06 0.0 0.0 0
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405268 135073317 1 NO2C15H17 AB2C15D17 -17.71 3.11 -9.35 -0.31 0
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405269 135073318 1 NO2C15H17 AB2C15D17 -14.86 3.0 -9.52 0.08 0
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405270 135073319 1 OH16C17 AB16C17 9.59 3.13 -9.48 -0.44 0
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405271 135073320 1 FOH13C16 ABC13D16 -28.43 3.43 -9.88 -0.67 0
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405272 135073321 1 OF3H13C17 AB3C13D17 -142.46 5.06 -9.99 -1.02 0
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405273 135073323 1 SN2O5H14C16 AB2C5D14E16 -9.86 3.65 -8.78 -1.96 0
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405274 135073324 1 NO2H13C17 AB2C13D17 96.95 5.5 -9.14 -1.41 0
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405275 135073326 1 N2O3C14H20 A2B3C14D20 -126.92 2.38 -9.92 -0.82 0
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405276 135073327 1 ISeN2O5C9H11 ABC2D5E9F11 -184.84 3.94 -9.66 -1.64 0
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405277 135073329 1 NO2C16H17 AB2C16D17 -17.18 2.35 -8.2 -0.39 0
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405278 135073330 2 OC11H12 AB11C12 -14.36 4.35 -9.21 -0.6 0
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405279 135073331 2 OH9C10 AB9C10 45.81 3.99 -9.38 -0.42 0
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405280 135073332 1 NO3H25C26 AB3C25D26 -49.19 2.72 -9.05 -0.28 0
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405281 135073333 1 NO3C13H15 AB3C13D15 -47.65 2.97 -8.88 -0.12 0
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405282 135073335 1 NO2C13H15 AB2C13D15 -9.76 3.71 -9.46 -0.27 0
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405283 135073336 1 NOH23C29 ABC23D29 92.68 2.62 -8.67 -0.38 0
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405284 135073339 1 O2S2C17H18 A2B2C17D18 -0.28 2.39 -8.02 -0.17 0
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405285 135073340 1 O2S2C17H18 A2B2C17D18 -0.48 6.52 -8.18 -0.16 0
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405286 135073342 1 O5C23H30 A5B23C30 -122.76 3.55 -9.47 -0.34 0
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405287 135073343 1 O4C15H22 A4B15C22 -140.1 2.9 -9.76 0.36 0
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405288 135073344 1 SiO4C19H30 AB4C19D30 -172.39 2.15 -9.82 0.61 0
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405289 135073345 2 O2C11H13 A2B11C13 -100.98 2.94 -9.09 -0.02 0
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405290 135073346 1 Cl2O2H22C27 A2B2C22D27 48.21 2.72 -9.07 -0.46 0
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405291 135073348 1 NSO7H29C30 ABC7D29E30 -119.31 6.8 -9.67 -0.61 0
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405292 135073349 1 ClNF3H11C15 ABC3D11E15 -104.48 2.85 -9.23 -0.62 0
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405293 135073350 1 ClNF4H8C14 ABC4D8E14 -141.78 0.72 -9.51 -0.98 0
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405294 135073351 1 ClO4H9C13 AB4C9D13 -111.41 3.98 -9.66 -1.42 0
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405295 135073352 1 IO2C10H17 AB2C10D17 -89.7 2.78 -9.38 -0.93 0
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405296 135073353 1 N2O2F3H11C16 A2B2C3D11E16 -121.09 4.49 -8.87 -1.2 0
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405297 135073355 1 NOCl4H11C12 ABC4D11E12 -15.72 3.08 -9.69 -0.65 0
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405298 135073362 1 SO2C19H24 AB2C19D24 -49.33 3.05 -9.32 -0.48 1
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405299 135073444 1 N2O2C17H17 A2B2C17D17 22.15 2.85 0.0 0.0 1
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405300 135073446 1 ClON2C14H14 ABC2D14E14 56.32 5.26 0.0 0.0 0
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405301 135073450 1 NSO2C21H21 ABC2D21E21 -32.37 4.94 -8.65 -0.48 0
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405302 135073452 1 NSO5H21C22 ABC5D21E22 -142.17 6.14 -8.96 -0.75 0
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405303 135073453 1 ON2F3H13C15 AB2C3D13E15 -151.36 2.09 -9.79 -0.84 0
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405304 135073454 2 NC8H9 AB8C9 39.69 2.35 -8.24 -0.18 0
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405305 135073455 1 LiO2H9C13 AB2C9D13 -62.12 9.71 -9.45 -0.45 0
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405306 135073456 1 LiO2H11C14 AB2C11D14 -77.73 3.96 -9.3 -0.12 0
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405307 135073457 1 NSO2F3C10H12 ABC2D3E10F12 -215.26 4.41 -9.49 -0.91 0
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405308 135073459 2 NOH6C7 ABC6D7 54.81 5.77 -9.05 -0.93 0
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405309 135073460 1 NO3C14H15 AB3C14D15 -17.85 5.87 -8.74 -0.17 0
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405310 135073461 1 NO2C14H15 AB2C14D15 13.0 4.91 -8.74 -0.17 0
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405311 135073462 1 BrNO3C6H10 ABC3D6E10 -102.03 1.59 -10.17 -1.22 0
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405312 135073464 1 SN2O4C14H22 AB2C4D14E22 -178.23 5.76 -9.37 -0.58 0
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405313 135073465 1 SN2O4C10H22 AB2C4D10E22 -215.63 6.15 -10.45 -0.52 0
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405314 135073466 1 SN2O4C15H30 AB2C4D15E30 -221.02 5.53 -8.77 -0.56 0
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405315 135073467 1 F3N3H10C15 A3B3C10D15 -26.14 2.88 -9.33 -1.12 0
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405316 135073468 1 ClSiO2C14H23 ABC2D14E23 -178.83 2.65 -8.67 -0.17 0
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405317 135073469 1 SO3N4C12H16 AB3C4D12E16 -34.27 4.38 -9.73 -1.21 0
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405318 135073471 1 NOC18H27 ABC18D27 -46.54 0.72 -9.29 0.45 0
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405319 135073472 1 NO2H21C22 AB2C21D22 -27.97 4.36 -8.55 -0.93 0
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405320 135073473 1 O2N4H8C13 A2B4C8D13 106.91 5.02 -9.96 -1.87 0
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405321 135073475 1 NO4C13H17 AB4C13D17 -109.03 1.24 -8.94 -0.21 0
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405322 135073477 1 SiN2C20H30 AB2C20D30 0.11 0.54 -8.97 -0.28 0
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405323 135073478 1 N2O5C17H26 A2B5C17D26 -194.9 1.67 -8.05 0.19 0
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405324 135073479 1 O5C20H34 A5B20C34 -217.48 4.54 -9.24 0.16 0
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405325 135073481 1 O3C30H34 A3B30C34 -43.41 3.49 -8.73 0.09 0
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405326 135073482 1 SeO5C20H24 AB5C20D24 -183.7 4.1 -8.5 -0.58 0
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405327 135073483 2 OC6H10 AB6C10 -21.65 1.87 -9.14 0.37 0
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405328 135073487 2 O3C16H22 A3B16C22 -214.0 3.66 -9.15 0.16 0
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405329 135073488 1 OC18H26 AB18C26 -29.5 1.75 -9.1 0.47 0
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405330 135073489 1 ON4H8C12 AB4C8D12 68.0 3.4 -10.26 -1.43 0
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405331 135073494 2 OC10H13 AB10C13 -38.56 3.5 -8.94 0.17 0
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405332 135073521 1 ClNSO3C14H16 ABCD3E14F16 -68.47 4.31 -10.01 -0.88 0
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405333 135073553 1 SO2C20H26 AB2C20D26 -54.24 4.2 -9.22 -0.56 0
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405334 135073556 1 NO5C16H19 AB5C16D19 -126.46 0.71 -9.15 -0.34 0
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405335 135073557 2 O2C8H9 A2B8C9 -117.68 2.01 -9.37 0.07 0
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405336 135073558 1 O4C15H16 A4B15C16 -112.07 0.75 -9.25 -0.13 0
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405337 135073559 2 O2C8H9 A2B8C9 -123.01 1.67 -9.33 0.0 0
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405338 135073562 1 BrOC11H17 ABC11D17 -40.3 2.84 -9.6 -0.04 0
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405340 135073565 1 N2O11C16H28 A2B11C16D28 -512.62 8.44 -9.82 0.24 0
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405341 135073566 1 ClN2O9C12H13 AB2C9D12E13 -213.1 7.12 -10.75 -1.94 0
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405342 135073567 1 O10C17H24 A10B17C24 -408.05 5.39 -10.07 -0.59 0