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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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406331 135077255 1 N4H6C13 A4B6C13 136.01 8.3 -9.37 -1.7 0
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406332 135077256 1 NS2C9H11 AB2C9D11 25.33 2.31 -8.93 -0.42 0
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406333 135077257 1 BrNO3C17H18 ABC3D17E18 -97.22 5.6 -9.77 -1.47 0
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406334 135077258 1 NO3C20H21 AB3C20D21 -56.96 3.89 -9.35 -1.25 0
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406335 135077259 1 NPSO16C31H42 ABCD16E31F42 -726.51 6.03 -8.7 -0.94 0
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406336 135077260 1 SiO5C21H38 AB5C21D38 -323.21 2.62 -8.77 -0.03 0
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406337 135077261 1 SN2O4C19H24 AB2C4D19E24 -100.11 5.1 -9.51 -0.22 0
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406338 135077262 2 O2C7H9 A2B7C9 -153.19 4.46 -9.38 -0.76 0
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406339 135077263 1 OSiN2C15H30 ABC2D15E30 -73.38 1.34 -9.06 -0.2 1
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406340 135077264 1 OSiN2C15H31 ABC2D15E31 -68.03 3.77 0.0 0.0 0
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406341 135077265 1 NOC14H19 ABC14D19 -7.58 1.57 -9.34 0.21 0
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406342 135077266 1 ON7C14H15 AB7C14D15 123.65 5.42 -8.46 -1.48 0
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406343 135077267 1 FN7H12C13 AB7C12D13 116.63 3.21 -8.8 -1.67 0
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406344 135077268 1 BrN7H12C13 AB7C12D13 166.07 3.19 -8.83 -1.74 0
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406345 135077269 1 SN2O3C18H20 AB2C3D18E20 -11.14 4.85 -8.44 -0.19 0
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406346 135077270 1 OSCl2N2H14C16 ABC2D2E14F16 51.63 4.69 -8.73 -0.82 0
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406347 135077290 1 PWH5O5C6 ABC5D5E6 -6.29 9.9 -7.4 0.34 -1
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406348 135077294 1 CrNO3C15H20 ABC3D15E20 39.31 1.66 0.0 0.0 0
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406349 135077302 1 N2O2C25H38 A2B2C25D38 -67.75 4.79 -8.08 0.28 0
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406350 135077303 1 O6C15H20 A6B15C20 -212.6 4.96 -9.94 0.15 0
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406351 135077314 1 ClSi2O5C25H43 AB2C5D25E43 -288.95 5.34 -9.08 -0.6 0
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406352 135077325 1 NO4C23H33 AB4C23D33 -182.37 3.71 -8.36 0.38 0
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406353 135077329 1 ClC12H13 AB12C13 19.91 2.6 -9.25 0.03 0
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406354 135077331 1 SiO2C21H38 AB2C21D38 -152.82 2.74 -8.61 1.06 0
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406355 135077333 2 OC8H12 AB8C12 -101.52 5.31 -9.92 -0.31 0
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406356 135077341 1 N2O8C19H24 A2B8C19D24 -203.04 10.93 -9.22 -1.36 0
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406357 135077358 1 ON8C17H22 AB8C17D22 120.91 3.23 -8.77 -1.59 0
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406358 135077364 2 NOC7H9 ABC7D9 -30.9 1.44 -9.35 -0.81 0
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406359 135077376 1 ClN2O8C15H15 AB2C8D15E15 -158.73 5.05 -10.23 -1.82 0
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406360 135077377 1 Cl2O2N4C11H14 A2B2C4D11E14 -12.28 3.66 -9.04 -1.48 0
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406361 135077378 1 OSCl2N4C15H16 ABC2D4E15F16 34.04 5.61 -8.6 -0.95 0
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406362 135077379 1 O3N4C14H16 A3B4C14D16 -61.59 4.57 -9.95 -1.22 0
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406363 135077380 1 ON6C10H18 AB6C10D18 22.66 5.88 -9.03 -0.42 0
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406364 135077381 1 ClO2N4C18H19 AB2C4D18E19 31.84 2.84 -8.39 -0.95 0
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406365 135077382 1 ClFO2N4H16C17 ABC2D4E16F17 -5.18 1.94 -8.6 -1.26 -1
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406366 135077383 1 CrO4C11H11 AB4C11D11 -84.16 1.96 0.0 0.0 -1
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406367 135077384 1 CrNO6C21H26 ABC6D21E26 -65.69 3.81 0.0 0.0 0
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406368 135077385 1 ClN4C15H21 AB4C15D21 57.5 13.06 -7.77 -0.54 0
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406369 135077386 1 SN4O9H34C41 AB4C9D34E41 -201.67 6.55 -9.0 -1.26 0
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406370 135077387 1 NO3H17C18 AB3C17D18 -65.77 1.75 -9.47 -0.45 0
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406371 135077388 1 NSO4C18H19 ABC4D18E19 -121.28 5.93 -9.31 -0.62 0
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406372 135077389 1 NSO4C15H21 ABC4D15E21 -163.86 5.96 -9.98 -0.61 0
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406373 135077390 1 NSO4C14H19 ABC4D14E19 -161.34 6.32 -10.09 -0.56 0
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406374 135077391 1 BrFON2C14H14 ABCD2E14F14 -15.15 3.31 -8.3 -0.26 0
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406375 135077392 1 OSiC16H26 ABC16D26 -96.25 1.28 -8.8 0.18 0
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406376 135077393 1 ON2C27H34 AB2C27D34 30.06 8.06 -9.47 -0.61 0
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406377 135077394 2 O3C11H14 A3B11C14 -201.35 1.23 -8.76 0.34 0
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406378 135077395 1 OS2C16H20 AB2C16D20 2.99 1.37 -8.58 -0.13 0
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406379 135077396 2 CoO5C9H11 AB5C9D11 -388.19 40.46 -9.86 -6.08 0
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406380 135077397 1 OC17H22 AB17C22 -5.16 1.9 -9.31 0.23 0
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406381 135077398 1 ClOF3H20C22 ABC3D20E22 -143.88 5.1 -9.27 -0.76 0
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406382 135077399 1 ClO2H15C18 AB2C15D18 4.63 2.24 -8.74 -0.27 0
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406383 135077400 1 SO2C14H20 AB2C14D20 -82.22 1.7 -8.82 -0.22 0
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406384 135077401 1 NO3C17H21 AB3C17D21 1.73 7.38 -9.29 -1.31 0
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406385 135077402 2 OC9H12 AB9C12 -32.6 1.47 -8.71 0.34 0
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406386 135077403 2 OC14H14 AB14C14 6.82 2.44 -9.22 0.18 0
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406387 135077404 1 SiO2C18H26 AB2C18D26 -112.49 2.31 -8.82 -0.54 0
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406388 135077406 1 O5C16H28 A5B16C28 -232.48 1.79 -9.95 -0.33 0
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406389 135077407 1 O4C17H28 A4B17C28 -202.12 1.66 -9.83 -0.33 0
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406390 135077408 1 SiO3C18H34 AB3C18D34 -216.72 1.95 -8.9 -0.34 0
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406391 135077440 1 NO2H19C22 AB2C19D22 10.56 3.43 -9.3 -0.48 0
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406392 135077441 1 NC17H19 AB17C19 54.77 1.43 -9.31 -0.2 0
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406393 135077444 1 N2O2C17H18 A2B2C17D18 49.37 6.6 -9.64 -1.53 0
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406394 135077461 1 SSeC20H24 ABC20D24 44.92 2.13 -8.31 -0.2 0
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406395 135077463 1 O5H18C19 A5B18C19 -176.38 4.3 -9.1 -0.42 0
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406396 135077465 1 N2O10C17H20 A2B10C17D20 -230.32 4.44 -9.76 -1.58 0
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406397 135077467 2 O3H8C9 A3B8C9 -192.63 4.77 -8.68 -0.57 0
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406398 135077470 1 SO2H14C18 AB2C14D18 -4.87 1.06 -8.76 -0.26 0
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406399 135077509 1 OSiC21H32 ABC21D32 -45.4 1.46 -8.86 0.05 0
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406400 135077510 1 SiO3C20H34 AB3C20D34 -158.66 2.07 -8.94 0.8 0
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406401 135077511 2 SO2C11H11 AB2C11D11 -38.77 0.48 -9.86 -0.51 0
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406402 135077512 1 NOH21C24 ABC21D24 75.31 5.38 -8.67 -0.21 0
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406403 135077513 1 NOH25C30 ABC25D30 97.19 4.65 -8.68 -0.26 0
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406404 135077514 1 NOC19H19 ABC19D19 45.64 5.24 -8.62 -0.08 0
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406405 135077515 1 OC15H18 AB15C18 15.81 2.04 -9.2 -0.17 0
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406406 135077516 1 OSiC20H22 ABC20D22 24.41 2.55 -8.81 -0.21 0
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406407 135077517 1 IO5C11H17 AB5C11D17 -218.31 6.83 -10.35 -1.59 0
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406408 135077518 2 O2C4H7 A2B4C7 -191.75 0.94 -9.92 0.62 0
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406409 135077519 1 PO4C30H35 AB4C30D35 -155.41 1.28 -9.2 0.19 0
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406410 135077520 1 ClNSO5C17H24 ABCD5E17F24 -192.18 4.03 -8.89 0.07 0
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406411 135077521 1 NSO3C17H23 ABC3D17E23 -96.31 6.53 -9.78 -0.53 0
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406412 135077522 1 NSO2C20H21 ABC2D20E21 29.85 6.0 -8.91 -0.46 0
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406413 135077523 1 NSSi2O3C36H55 ABC2D3E36F55 -120.55 0.6 -8.32 0.04 0
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406414 135077524 1 NSSiO2C34H41 ABCD2E34F41 17.44 2.13 -8.36 -0.22 0
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406415 135077525 1 NSO2Si2C31H45 ABC2D2E31F45 -65.34 0.53 -8.25 0.15 0
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406416 135077526 1 NSSiO2C28H37 ABCD2E28F37 10.33 3.43 -8.28 0.03 0
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406417 135077527 2 O2C7H7 A2B7C7 -119.75 3.13 -9.72 -0.97 0
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406418 135077528 1 NSSi2O3C36H57 ABC2D3E36F57 -168.59 2.79 -8.08 0.2 0
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406419 135077529 1 NSSiO2C34H43 ABCD2E34F43 -20.23 4.39 -8.28 -0.4 0
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406420 135077530 1 NSO2Si2C31H47 ABC2D2E31F47 -92.67 4.55 -8.04 0.26 0
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406421 135077531 1 NSSi2O3C36H57 ABC2D3E36F57 -167.76 5.34 -8.15 0.3 0
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406422 135077532 1 GeOSi2C22H46 ABC2D22E46 -133.03 2.38 -8.62 1.17 0
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406423 135077533 1 NOC11H15 ABC11D15 -6.42 3.6 -9.42 0.66 0
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406424 135077534 1 BrO2Cl3C8H10 AB2C3D8E10 -99.17 3.96 -10.24 -1.25 0
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406425 135077535 2 OC7H8 AB7C8 -46.9 2.64 -9.55 -0.7 0
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406426 135077536 1 OH16C18 AB16C18 35.91 3.14 -9.15 -0.8 0
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406427 135077537 1 ClO5H31C32 AB5C31D32 90.36 32.78 -9.55 -3.21 1
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406428 135077538 1 OH31C32 AB31C32 61.23 2.77 0.0 0.0 0
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406429 135077539 1 NSiO2C24H35 ABC2D24E35 -99.24 0.98 -8.86 -0.02 0
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406430 135077540 1 ON2F6H12C13 AB2C6D12E13 -317.33 4.99 -9.9 -1.55 1