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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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226304 87350390 1 C3S3O5H6 A3B3C5D6 -201.74 2.41 -9.46 -1.27 0
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226305 87350391 1 NC6O6H13 AB6C6D13 -244.87 3.1 -9.98 -0.38 0
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226306 87350392 1 SF3N3O4C27H36 AB3C3D4E27F36 -285.68 6.54 -8.85 -0.93 0
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226307 87350393 1 SF3N3O4C27H36 AB3C3D4E27F36 -287.08 7.51 -8.9 -0.8 0
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226308 87350394 1 SF3N3O4C27H36 AB3C3D4E27F36 -287.15 7.6 -8.91 -0.79 0
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226309 87350395 2 NO2C5H12 AB2C5D12 -192.92 3.34 -9.1 1.08 0
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226310 87350396 2 NO2F3H7C13 AB2C3D7E13 -384.69 1.63 -10.49 -2.75 0
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226311 87350397 1 N2O4C31H32 A2B4C31D32 -125.89 3.81 -8.72 -0.57 0
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226312 87350398 1 F2O2N11H47C58 A2B2C11D47E58 57.62 4.7 -8.43 -0.97 0
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226314 87350400 1 PSO3C26H55 ABC3D26E55 -333.65 3.59 -9.57 0.32 0
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226315 87350401 1 PSZnO3C16H37 ABCD3E16F37 -228.1 4.26 -8.19 -1.68 0
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226316 87350402 1 TcC6O6H12 AB6C6D12 -81.15 3.11 0.0 0.0 0
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226317 87350403 1 SBr2N2O7C26H30 AB2C2D7E26F30 -183.92 4.2 -9.03 -1.12 0
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226318 87350404 1 FSN3O5C21H30 ABC3D5E21F30 -218.32 8.56 -8.83 -0.77 0
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226319 87350405 1 SF3N3O3C25H30 AB3C3D3E25F30 -221.6 8.77 -8.79 -0.7 0
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226320 87350406 1 SF3N3O3C25H30 AB3C3D3E25F30 -221.51 8.5 -8.79 -0.69 0
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226321 87350407 1 ZnP2S2O6C16H36 AB2C2D6E16F36 -510.05 5.52 -9.27 -0.66 0
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226322 87350408 1 PSZnO3C8H21 ABCD3E8F21 -197.5 2.58 -8.17 -1.72 0
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226323 87350409 1 PSO3C8H21 ABC3D8E21 -225.79 4.45 -8.26 0.25 0
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226324 87350410 2 ClN3C4H10 AB3C4D10 -12.31 3.95 -8.54 0.13 0
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226325 87350411 1 N2O3C20H38 A2B3C20D38 -200.68 3.38 -9.48 -0.14 0
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226326 87350412 1 NO4C12H19 AB4C12D19 -162.38 1.8 -10.17 -0.28 0
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226327 87350413 1 NO4C12H19 AB4C12D19 -150.76 3.36 -9.78 0.09 0
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226328 87350415 1 BrNO4C10H12 ABC4D10E12 -139.67 1.54 -9.63 -1.15 0
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226329 87350420 1 PO3C22H45 AB3C22D45 -270.15 1.7 -9.48 1.06 0
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226330 87350422 1 ClON4H21C25 ABC4D21E25 59.25 4.07 -8.91 -1.38 0
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226331 87350424 1 SN2O4C9H18 AB2C4D9E18 -194.88 6.12 -9.74 0.26 0
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226332 87350428 1 ON5C19H19 AB5C19D19 75.79 2.86 -8.74 -0.57 0
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226333 87350429 1 ClON2C7H7 ABC2D7E7 -9.62 3.74 -8.85 -0.62 0
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226334 87350430 1 SO7C19H22 AB7C19D22 -257.32 4.16 -9.66 -0.74 0
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226335 87350431 1 O2N3C9H11 A2B3C9D11 -20.63 4.11 -8.81 -0.73 1
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226336 87350434 1 N4O4C12H25 A4B4C12D25 -121.64 4.43 0.0 0.0 0
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226337 87350436 1 PSZnO3C6H17 ABCD3E6F17 -186.15 2.99 -8.09 -1.79 0
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226339 87350441 1 BrHNSZnC3 ABCDEF3 -1.53 19.8 0.0 0.0 0
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226340 87350443 1 PO3N4C9H19 AB3C4D9E19 -67.96 3.5 -8.83 0.6 0
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226341 87350446 1 NPC3O6H8 ABC3D6E8 -332.84 1.88 -10.93 -0.3 0
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226342 87350459 1 SO4C19H22 AB4C19D22 -151.06 6.5 -9.11 -0.46 0
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226343 87350465 1 SiO2C14H26 AB2C14D26 -102.39 2.64 -7.4 -0.45 0
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226344 87350503 1 BrON2C8H13 ABC2D8E13 -24.1 4.68 -8.99 -1.56 0
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226345 87350514 1 ClN2S2H5C7 AB2C2D5E7 61.96 2.7 -9.0 -1.46 0
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226346 87350517 1 ZnP2O8C12H28 AB2C8D12E28 -522.08 2.8 -9.78 -1.51 0
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226347 87350519 1 O2N3H15C16 A2B3C15D16 80.2 6.13 -8.57 -1.46 0
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226348 87350529 1 ClNOC23H48 ABCD23E48 -161.01 2.36 -8.82 1.15 0
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226349 87350530 1 KO2C7H12 AB2C7D12 -112.89 7.34 0.0 0.0 0
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226350 87350550 1 PO2C24H51 AB2C24D51 -218.62 2.18 -9.35 1.4 0
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226351 87350563 1 NaO5C7H12 AB5C7D12 -245.95 5.77 0.0 0.0 0
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226352 87350564 1 ClO3C5H7 AB3C5D7 -49.9 3.05 -10.25 -0.88 0
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226353 87350572 1 SO12C21H26 AB12C21D26 -495.47 3.79 -10.08 -0.57 0
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226354 87350573 1 NOCl2C9H21 ABC2D9E21 -102.72 11.18 -8.19 -0.04 0
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226355 87350574 1 ClNOC9H20 ABCD9E20 -87.37 2.69 -8.7 0.7 0