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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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83288 49857405 1 OSN5C17H19 ABC5D17E19 35.72 5.04 -9.29 -1.11 0
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83289 49857407 1 SO4N5C23H27 AB4C5D23E27 -106.78 7.46 -9.19 -1.43 0
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83290 49857408 1 SO4N5C23H27 AB4C5D23E27 -103.14 6.91 -9.26 -1.54 0
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83291 49857410 2 ON2C13H14 AB2C13D14 24.31 5.28 -8.73 -0.22 0
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83292 49857414 2 ON2C15H17 AB2C15D17 22.86 3.57 -8.64 -0.27 0
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83293 49857415 1 FN3O3C26H26 AB3C3D26E26 -64.82 5.34 -8.57 -0.35 0
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83294 49857416 1 SN3O4H21C27 AB3C4D21E27 -12.22 8.91 -8.96 -1.38 0
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83295 49857417 1 N2O3C21H30 A2B3C21D30 -121.74 0.9 -8.68 -0.28 0
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83296 49857418 2 NOC10H15 ABC10D15 -66.69 4.92 -8.7 -0.32 0
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83297 49857419 1 N2O2C21H32 A2B2C21D32 -78.45 2.93 -8.68 -0.34 0
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83298 49857420 1 N2O3C20H30 A2B3C20D30 -107.31 4.08 -8.94 -0.32 0
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83299 49857421 1 N2O3C21H32 A2B3C21D32 -113.64 7.07 -8.69 -0.33 0
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83300 49857422 1 N2O3C21H32 A2B3C21D32 -115.47 4.95 -8.78 -0.26 0
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83301 49857423 1 N2O3C26H34 A2B3C26D34 -81.09 5.76 -8.66 -0.35 0
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83302 49857424 1 ClO3N6H21C22 AB3C6D21E22 28.25 11.09 -8.33 -1.55 0
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83303 49857426 1 ClO3N7C25H26 AB3C7D25E26 0.56 7.69 -8.3 -1.52 0
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83304 49857427 1 ClFO3N7H19C22 ABC3D7E19F22 -1.95 9.1 -8.7 -1.42 0
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83305 49857430 1 O3N5C30H33 A3B5C30D33 -18.29 6.47 -8.26 -1.16 0
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83306 49857431 1 N2O3C29H30 A2B3C29D30 -57.66 7.22 -8.88 -1.13 0
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83307 49857432 1 N2O3H26C27 A2B3C26D27 -48.69 7.37 -8.88 -1.11 0
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83308 49857433 1 N3O5H23C30 A3B5C23D30 -49.83 8.48 -9.25 -1.27 0
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83309 49857435 2 FSN2O3H9C10 ABC2D3E9F10 -240.07 6.86 -8.36 -2.07 0
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83310 49857436 1 Cl2S2N4O6C23H24 A2B2C4D6E23F24 -173.79 13.37 -8.15 -1.96 0
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83311 49857437 1 F2S2N3O5H13C17 A2B2C3D5E13F17 -183.69 11.96 -8.31 -2.07 0
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83312 49857438 1 O4C5H10 A4B5C10 -193.5 1.79 -10.74 1.08 0
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83313 49857439 1 FON5C21H22 ABC5D21E22 -11.67 4.31 -8.58 -0.31 0
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83314 49857441 1 ClFON5H19C20 ABCD5E19F20 -7.75 7.48 -8.8 -0.32 0
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83315 49857442 1 F2O2N5C24H25 A2B2C5D24E25 -87.97 2.36 -8.8 -0.38 0
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83316 49857443 1 SF2O3N5C24H25 AB2C3D5E24F25 -120.77 7.9 -8.38 -0.38 0
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83317 49857444 1 OF4N5C25H25 AB4C5D25E25 -159.63 6.44 -8.67 -0.25 0
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83318 49857445 1 NOC18H25 ABC18D25 -39.85 3.89 -8.98 0.31 0
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83319 49857446 1 O5C21H32 A5B21C32 -251.26 2.78 -9.93 0.23 0
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83320 49857447 1 O4C19H30 A4B19C30 -153.44 3.34 -8.84 -0.82 0
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83321 49857448 1 O4C21H30 A4B21C30 -136.2 10.74 -9.11 -1.11 0
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83322 49857449 2 OC10H15 AB10C15 -40.96 4.12 -8.3 0.0 0
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83323 49857450 3 OC7H10 AB7C10 -80.81 5.05 -8.77 -0.76 0
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83324 49857451 1 FNO3C17H18 ABC3D17E18 -142.33 7.09 -8.78 -1.04 0
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83325 49857452 1 ClO3H11C13 AB3C11D13 -37.64 2.66 -9.87 -0.7 0
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83326 49857453 1 ClNSO4H18C20 ABCD4E18F20 -106.65 5.16 -8.81 -0.91 0
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83327 49857454 1 ClO3H13C14 AB3C13D14 -57.59 3.03 -9.72 -0.54 0
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83328 49857455 1 ClNSO4H20C21 ABCD4E20F21 -116.79 6.32 -8.68 -0.92 0
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83329 49857457 1 N2O5C22H24 A2B5C22D24 -89.33 3.7 -8.59 -0.23 0
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83330 49857458 1 NOH17C20 ABC17D20 27.33 1.83 -8.1 -0.18 0
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83331 49857459 1 BrNS2O3C13H16 ABC2D3E13F16 -75.4 2.12 -9.16 -0.94 0
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83332 49857460 1 BrNO2C11H14 ABC2D11E14 -66.64 4.56 -10.09 -0.24 0
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83333 49857461 1 BO6C14H17 AB6C14D17 -288.67 2.46 -8.89 -0.46 0
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83334 49857462 1 NO6C20H21 AB6C20D21 -194.08 2.71 -9.14 -0.85 0
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83335 49857463 1 NO8C25H31 AB8C25D31 -297.95 2.23 -8.96 -0.59 0
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83336 49857464 1 ClNO6C21H26 ABC6D21E26 -214.01 2.73 -9.12 -0.82 0
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83337 49857465 1 NO6C21H27 AB6C21D27 -228.29 2.45 -8.7 -0.38 0
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83338 49857466 1 SiO5C29H48 AB5C29D48 -287.05 2.17 -8.79 0.12 0
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83339 49857467 1 IO2C10H17 AB2C10D17 -94.0 3.02 -9.37 -0.64 0
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83340 49857468 1 SiO7C39H66 AB7C39D66 -422.82 3.15 -8.74 0.18 0
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83341 49857469 1 SiO7C39H66 AB7C39D66 -423.36 2.89 -8.72 0.44 0
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83342 49857470 1 ClON2H25C27 ABC2D25E27 59.09 4.96 -8.52 -0.23 0
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83343 49857471 1 N4O5H18C24 A4B5C18D24 -12.58 2.54 -9.23 -1.74 0
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83344 49857472 1 N3O5H19C25 A3B5C19D25 -19.32 2.46 -9.13 -1.97 0
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83345 49857474 1 N3O3H21C25 A3B3C21D25 -20.83 9.27 -8.51 -0.79 0
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83346 49857475 1 SO4N5H29C30 AB4C5D29E30 -65.88 5.48 -8.41 -0.91 0
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83347 49857477 1 NO3C22H27 AB3C22D27 -75.19 5.37 -8.38 -0.74 0
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83348 49857478 1 NO4C22H29 AB4C22D29 -151.0 5.16 -8.21 -0.42 0
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83349 49857479 1 NO4C20H25 AB4C20D25 -161.12 5.77 -8.61 -0.76 0
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83350 49857480 1 PBr2O2H23C26 AB2C2D23E26 9.62 20.89 -6.61 -1.37 1
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83351 49857481 1 BrPO2H23C26 ABC2D23E26 30.31 19.52 0.0 0.0 0
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83352 49857482 1 BrPO2H24C26 ABC2D24E26 -7.71 12.24 -6.9 -0.82 0
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83353 49857484 1 BrO4C23H33 AB4C23D33 -169.16 4.32 -8.17 -0.29 0
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83354 49857485 1 FN5H16C17 AB5C16D17 54.6 2.34 -8.84 -0.35 0
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83355 49857486 1 FN5H16C17 AB5C16D17 51.81 2.69 -8.9 -0.52 0
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83356 49857489 1 N5C22H25 A5B22C25 86.12 0.62 -8.23 -0.2 0
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83357 49857490 1 N5C22H25 A5B22C25 83.85 3.04 -7.84 -0.31 0
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83358 49857491 1 N5C22H25 A5B22C25 86.76 1.82 -7.75 -0.14 0
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83359 49857492 1 BN4O6C20H25 AB4C6D20E25 -216.78 11.76 -10.14 -1.35 0
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83360 49857494 1 BN3O4C21H28 AB3C4D21E28 -221.74 3.95 -9.63 -0.64 0
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83361 49857495 1 BN3O4C21H28 AB3C4D21E28 -222.84 4.57 -9.6 -0.6 0
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83362 49857496 1 BFN2O4C21H26 ABC2D4E21F26 -271.29 1.46 -9.72 -0.48 0
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83363 49857497 1 BFN2O4C24H24 ABC2D4E24F24 -230.04 1.49 -9.47 -0.43 0
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83364 49857499 1 ClNO3H14C16 ABC3D14E16 -95.51 5.92 -9.87 -0.65 0
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83365 49857500 1 NO4C17H17 AB4C17D17 -127.23 10.21 -9.46 -0.65 0
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83366 49857501 1 N2O5H14C16 A2B5C14D16 -92.23 2.93 -10.09 -1.51 0
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83368 49857503 1 BN3O5C34H40 AB3C5D34E40 -212.83 6.45 -9.17 -0.43 0
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83369 49857504 1 BN3O5C35H42 AB3C5D35E42 -220.39 6.52 -9.16 -0.37 0
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83370 49857505 1 BFN3O5C34H39 ABC3D5E34F39 -260.02 5.91 -9.12 -0.37 0
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83371 49857506 1 SiO2C23H44 AB2C23D44 -215.59 2.48 -8.75 0.82 0
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83372 49857507 1 SiO2C23H44 AB2C23D44 -216.0 3.52 -8.74 0.83 0
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83373 49857508 1 O3Si3C44H84 A3B3C44D84 -380.13 1.8 -8.71 0.82 0
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83374 49857509 1 O3Si3C44H84 A3B3C44D84 -379.98 2.16 -8.34 0.62 0
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83375 49857513 1 O2N5H17C19 A2B5C17D19 34.69 9.87 -8.82 -0.94 0
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83376 49857514 1 O3N6C25H30 A3B6C25D30 12.76 3.55 -8.98 -0.88 0
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83377 49857515 2 N2O2C9H13 A2B2C9D13 -147.6 5.5 -9.16 -0.67 0
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83378 49857516 1 O2N4C13H18 A2B4C13D18 -30.62 2.78 -9.18 -0.69 0
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83379 49857517 2 ON2C11H11 AB2C11D11 21.8 8.23 -8.93 -0.96 0
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83380 49857518 2 NOC9H9 ABC9D9 -5.68 3.52 -8.79 -0.89 0
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83381 49857519 1 N2H10C13 A2B10C13 107.25 3.83 -8.63 -0.83 0
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83382 49857520 2 NOC9H9 ABC9D9 -6.27 4.6 -8.92 -0.86 0
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83383 49857522 1 N2H10C13 A2B10C13 107.0 3.83 -8.6 -0.75 0
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83384 49857523 2 NOC9H9 ABC9D9 -6.06 2.14 -8.92 -0.9 0
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83385 49857524 1 N2H10C13 A2B10C13 107.1 4.04 -8.72 -0.84 0
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83386 49857525 2 NOC9H9 ABC9D9 -6.3 3.97 -9.02 -0.91 0
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83387 49857528 1 ON2C10H10 AB2C10D10 -9.02 0.8 -8.97 -0.66 0
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83388 49857532 1 ClON3H20C21 ABC3D20E21 29.46 4.36 -8.63 -0.48 0