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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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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
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83389 49857535 1 N3O5C23H23 A3B5C23D23 -107.45 3.85 -8.2 -0.42 0
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83390 49857536 1 N3O4H21C22 A3B4C21D22 -71.17 3.24 -8.39 -0.54 0
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83391 49857537 1 N3O5H21C22 A3B5C21D22 -111.29 5.15 -8.6 -0.46 0
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83392 49857538 1 FN3O3H18C21 AB3C3D18E21 -81.37 4.65 -9.22 -0.55 0
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83393 49857541 1 SN5O9C40H49 AB5C9D40E49 -305.6 7.42 -8.94 -0.87 0
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83394 49857542 1 SF2N5O9C39H45 AB2C5D9E39F45 -401.03 5.5 -8.96 -0.95 0
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83395 49857543 1 SN4O9C42H50 AB4C9D42E50 -283.66 9.91 -8.93 -0.87 0
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83396 49857544 1 SN5O9C40H47 AB5C9D40E47 -275.68 7.48 -9.17 -1.28 0
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83397 49857545 1 SN5O9C41H49 AB5C9D41E49 -276.92 9.76 -9.42 -1.25 0
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83398 49857546 1 O9N17C50H75 A9B17C50D75 -377.53 4.76 -8.6 -0.13 0
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83402 49857551 1 BClO2C11H20 ABC2D11E20 -190.11 4.13 -9.28 0.47 0
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83403 49857552 1 BClO2C14H18 ABC2D14E18 -147.35 3.95 -9.02 -0.07 0
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83404 49857553 1 BClFO2C14H17 ABCD2E14F17 -195.89 3.57 -9.14 -0.26 0
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83405 49857554 1 BClFO2C14H19 ABCD2E14F19 -220.09 6.05 -9.38 0.11 0
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83406 49857555 1 BClKF3C5H8 ABCD3E5F8 -353.0 9.41 -8.92 0.06 -1
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83407 49857556 1 BClF3C5H8 ABC3D5E8 -240.03 9.61 0.0 0.0 0
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83408 49857557 1 BClKF3C5H10 ABCD3E5F10 -327.98 18.74 -8.22 -0.88 -1
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83409 49857558 1 BClF3C5H10 ABC3D5E10 -288.54 2.93 0.0 0.0 -2
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83410 49857559 2 ClIrNPO2C27H29 ABCDE2F27G29 -42.25 51.59 -8.79 -4.72 0
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83411 49857561 1 N8O8C39H48 A8B8C39D48 -250.19 3.77 -8.6 -0.6 0
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83412 49857562 1 N8O8C39H48 A8B8C39D48 -246.77 5.03 -9.13 -0.97 0
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83413 49857563 1 N8O8C35H40 A8B8C35D40 -230.81 4.6 -8.73 -0.67 0
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83416 49857567 1 PSN2O12C33H49 ABC2D12E33F49 -553.65 2.83 -8.91 -0.38 0
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83417 49857568 2 NO3H10C14 AB3C10D14 -105.4 2.94 -9.51 -1.18 0
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83418 49857569 1 SO10H18C20 AB10C18D20 -364.21 9.47 -9.64 -0.86 0
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83419 49857570 1 O3N4H10C12 A3B4C10D12 21.23 10.8 -9.61 -1.56 0
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83420 49857571 1 O3N5C22H29 A3B5C22D29 -86.73 4.01 -8.68 -0.73 0
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83421 49857572 1 O4N5C21H27 A4B5C21D27 -117.48 6.32 -8.86 -0.89 0
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83422 49857573 1 O3N6C21H26 A3B6C21D26 -49.75 2.29 -8.76 -1.04 0
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83423 49857574 1 O4N5C22H27 A4B5C22D27 -53.16 1.97 -9.14 -1.28 0
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83424 49857575 1 O3N7C26H33 A3B7C26D33 -48.05 6.55 -8.86 -0.95 0
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83425 49857576 1 O3N6C26H38 A3B6C26D38 -87.89 4.58 -8.46 -0.72 0
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83434 49857586 1 O3F5N6H29C31 A3B5C6D29E31 -209.88 12.64 -9.03 -0.9 0
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83435 49857587 1 OF2N6H28C29 AB2C6D28E29 32.98 5.32 -9.2 -1.08 0
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83436 49857588 1 O4F5N6C31H31 A4B5C6D31E31 -287.0 5.53 -9.38 -1.73 0
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83437 49857589 1 F2O2N6C29H30 A2B2C6D29E30 -42.81 3.6 -9.23 -1.1 0
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83438 49857590 1 O4F5N6C31H31 A4B5C6D31E31 -292.81 6.62 -9.24 -1.12 0
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83439 49857591 1 F2O2N6C29H30 A2B2C6D29E30 -40.34 3.27 -9.21 -1.08 0
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83440 49857593 1 OF4N6H26C29 AB4C6D26E29 -52.09 6.39 -9.19 -1.06 0
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83441 49857595 1 SO2N7H19C21 AB2C7D19E21 98.26 8.04 -8.92 -1.56 0
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83442 49857596 1 SO2N7H21C23 AB2C7D21E23 98.13 4.3 -9.15 -1.73 0
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83443 49857599 1 FSO2N6H19C22 ABC2D6E19F22 32.37 2.89 -9.18 -1.73 0
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83444 49857600 1 FS2N4O4C23H31 AB2C4D4E23F31 -212.83 6.34 -9.1 -1.23 0
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83445 49857601 1 FS2N4O4C23H31 AB2C4D4E23F31 -212.97 6.91 -8.85 -0.67 0
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83446 49857602 1 ClFS2N4O4C23H30 ABC2D4E4F23G30 -194.2 9.81 -9.19 -0.75 0
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83447 49857603 1 S2O4N5C22H31 A2B4C5D22E31 -145.25 7.6 -9.11 -1.13 0
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83448 49857604 1 FS2N4O4C24H33 AB2C4D4E24F33 -207.42 6.7 -8.96 -0.95 0
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83449 49857605 1 O3N5C22H31 A3B5C22D31 -102.51 5.35 -9.37 -1.14 0
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83450 49857606 1 ON5C16H21 AB5C16D21 22.17 4.17 -9.24 -1.18 0
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83451 49857607 1 ON5C15H19 AB5C15D19 26.21 5.07 -9.41 -1.15 0