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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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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
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83452 49857608 1 O11H30C40 A11B30C40 -293.19 6.41 -8.74 -0.81 0
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83453 49857609 1 F3N3O3H22C30 A3B3C3D22E30 -141.96 4.83 -9.36 -1.25 0
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83454 49857610 1 S2N3O7H29C32 A2B3C7D29E32 -87.74 6.73 -9.59 -1.98 0
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83455 49857611 1 S2N3O9H19C28 A2B3C9D19E28 -146.15 12.27 -9.71 -1.85 0
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83456 49857613 1 S3N4O7H22C27 A3B4C7D22E27 -65.15 18.26 -9.23 -2.68 0
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83457 49857614 1 S2N4O7H30C32 A2B4C7D30E32 -75.11 15.61 -8.92 -1.67 0
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83458 49857615 1 N2O3C20H28 A2B3C20D28 -115.25 5.13 -8.96 -0.44 0
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83459 49857616 1 O2N3C26H35 A2B3C26D35 -34.14 5.65 -8.16 -0.25 0
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83460 49857617 1 O2N3C27H37 A2B3C27D37 -41.67 4.85 -8.15 -0.3 0
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83461 49857618 1 N3O3C23H35 A3B3C23D35 -116.99 7.3 -8.79 -0.51 0
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83462 49857620 1 SN2O2C21H32 AB2C2D21E32 -70.91 6.0 -8.4 -0.52 0
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83463 49857621 1 ClO2N6H15C19 AB2C6D15E19 81.18 3.34 -8.56 -1.47 0
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83464 49857622 1 O3N8H20C21 A3B8C20D21 49.89 5.87 -8.35 -1.2 0
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83465 49857623 1 ClO3N7C20H20 AB3C7D20E20 1.51 6.19 -8.4 -1.55 0
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83466 49857624 1 ClO3N6H21C22 AB3C6D21E22 -6.54 7.87 -8.25 -1.52 0
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83467 49857625 1 OF2N7C15H15 AB2C7D15E15 -26.17 9.76 -8.72 -1.72 0
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83468 49857629 1 N3O4H25C26 A3B4C25D26 -61.13 5.57 -8.88 -1.18 0
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83469 49857630 1 O3N4C27H28 A3B4C27D28 -11.71 7.82 -8.33 -0.84 0
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83470 49857631 1 N3O4H21C24 A3B4C21D24 -48.7 4.86 -8.97 -1.08 0
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83471 49857632 1 N3O5H21C24 A3B5C21D24 -82.27 7.28 -8.89 -1.28 0
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83472 49857633 1 NaO3C30H47 AB3C30D47 -241.4 4.88 -8.54 0.47 1
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83473 49857634 1 NO7C16H24 AB7C16D24 -274.09 3.38 0.0 0.0 1
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83474 49857635 1 N2O6C15H23 A2B6C15D23 -207.06 5.54 0.0 0.0 1
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83475 49857636 1 NO6C16H24 AB6C16D24 -242.21 16.04 0.0 0.0 0
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83476 49857637 2 FON2H9C10 ABC2D9E10 -91.22 5.56 -8.72 -0.33 0
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83477 49857638 1 OF2N5H21C22 AB2C5D21E22 -26.55 5.18 -8.83 -0.38 0
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83478 49857639 1 ClON4C23H25 ABC4D23E25 12.33 7.82 -8.59 -0.27 0
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83479 49857640 1 F2O3N5H25C28 A2B3C5D25E28 -109.3 5.19 -8.93 -0.55 0
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83480 49857642 1 F2O2N5H19C20 A2B2C5D19E20 -90.17 5.82 -8.8 -0.36 0
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83481 49857643 3 OC7H10 AB7C10 -131.06 1.72 -9.31 0.58 0
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83482 49857644 1 O5C21H32 A5B21C32 -234.3 4.88 -9.3 0.57 0
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83483 49857645 2 O3C11H15 A3B11C15 -242.54 6.36 -9.48 0.2 0
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83484 49857646 1 BrS2O3H13C20 AB2C3D13E20 -43.7 2.22 -9.05 -1.18 0
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83485 49857648 1 BrNSO4H20C22 ABCD4E20F22 -97.46 7.16 -9.61 -0.53 0
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83486 49857649 1 ClO3C15H15 AB3C15D15 -84.32 2.31 -8.94 -0.31 0
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83487 49857650 1 ClNOC19H20 ABCD19E20 -16.31 4.15 -8.48 -0.17 0
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83488 49857651 1 NSO3C27H31 ABC3D27E31 -63.36 4.54 -9.1 -0.41 0
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83489 49857652 1 NSO2C27H29 ABC2D27E29 -18.48 5.89 -8.88 -0.41 0
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83490 49857653 1 BrNSO3H22C23 ABCD3E22F23 -43.28 7.53 -8.63 -0.59 0
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83491 49857654 1 BrNSO2H20C23 ABCD2E20F23 -4.94 4.74 -8.54 -0.6 0
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83492 49857655 1 FON2C10H11 ABC2D10E11 -72.26 1.02 -8.72 -0.45 0
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83493 49857657 1 BrN2C17H17 AB2C17D17 57.64 4.18 -8.25 -0.37 0
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83494 49857658 1 O4C17H20 A4B17C20 -161.79 2.92 -9.85 -0.76 0
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83495 49857659 1 O3C17H18 A3B17C18 -105.07 6.28 -9.38 -0.81 0
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83496 49857660 1 OSSiC18H28 ABCD18E28 -48.73 2.03 -8.78 -0.47 0
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83497 49857662 1 PSiO6C20H43 ABC6D20E43 -451.12 5.21 -8.62 0.52 0
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83498 49857663 1 SiO5C20H38 AB5C20D38 -315.73 2.46 -8.74 -0.38 0
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83499 49857664 1 N2O3C30H30 A2B3C30D30 -33.06 6.08 -8.88 -0.17 0
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83500 49857665 1 NO9C23H39 AB9C23D39 -460.85 2.34 -9.9 0.54 0
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83501 49857666 1 N3H13C17 A3B13C17 119.18 6.47 -8.56 -0.8 0