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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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408623 135081391 1 N5H25C51 A5B25C51 440.54 2.69 -8.72 -2.18 0
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408624 135081392 2 OC5H9 AB5C9 -104.08 2.88 -9.66 1.3 0
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408625 135081393 1 NO9C28H47 AB9C28D47 -418.3 1.07 -8.73 0.96 0
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408627 135081395 1 NO6C10H13 AB6C10D13 -210.78 1.09 -10.47 -1.12 0
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408628 135081396 1 BC15H29 AB15C29 -72.49 0.29 -9.44 0.68 0
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408629 135081397 1 ClNH2S3C4 ABC2D3E4 74.14 4.37 -8.49 -1.57 0
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408630 135081398 1 N2O4H10C11 A2B4C10D11 -67.84 6.61 -9.32 -1.29 1
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408631 135081399 1 N2O4C11H11 A2B4C11D11 -73.1 6.45 0.0 0.0 0
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408632 135081400 1 O3C10H16 A3B10C16 -158.48 5.94 -10.35 0.54 0
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408633 135081401 1 PtSeBr2C5H10 ABC2D5E10 67.25 2.86 -8.98 -2.81 0
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408634 135081402 1 PtSeI2C5H10 ABC2D5E10 114.23 3.34 -8.96 -3.99 0
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408635 135081403 1 PtSBr2C6H12 ABC2D6E12 65.52 1.79 -8.98 -3.09 0
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408636 135081404 1 BO4C17H31 AB4C17D31 -279.67 2.61 -8.92 1.27 0
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408638 135081406 1 BCl2H18C21 AB2C18D21 86.08 5.29 0.0 0.0 0
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408639 135081407 1 BC15H31 AB15C31 -65.9 0.36 -8.95 0.68 1
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408640 135081408 1 KC7H13 AB7C13 5.29 9.05 -5.29 0.34 0
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408641 135081409 1 C7H13 A7B13 2.75 0.42 0.0 0.0 1
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408642 135081410 1 KC8H15 AB8C15 -0.44 9.14 -5.38 0.28 0
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408643 135081411 1 C8H15 A8B15 -0.92 0.19 0.0 0.0 1
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408644 135081412 1 KC5H9 AB5C9 12.2 9.09 -5.28 0.34 1
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408645 135081413 1 KC8H13 AB8C13 9.74 9.03 -5.38 0.32 0
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408646 135081414 1 C8H13 A8B13 10.65 0.77 0.0 0.0 0
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408647 135081415 1 KC13H17 AB13C17 17.34 9.45 -5.99 0.19 0
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408648 135081416 1 FKH6C7 ABC6D7 -34.89 10.34 -5.9 -0.04 1
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408649 135081417 1 NK2O2C13H23 AB2C2D13E23 -144.85 3.28 -5.12 0.71 0
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408650 135081418 1 NO2C13H24 AB2C13D24 -109.29 1.95 0.0 0.0 1
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408651 135081419 1 NSiK2O3C16H31 ABC2D3E16F31 -244.34 14.12 -5.46 0.4 0
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408652 135081420 1 NSiO3C16H32 ABC3D16E32 -204.67 2.82 0.0 0.0 1
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408653 135081421 1 NK2O2C10H17 AB2C2D10E17 -132.11 8.88 -5.36 0.65 0
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408654 135081422 1 NO2C10H18 AB2C10D18 -95.72 2.07 0.0 0.0 0
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408655 135081423 1 ClKH6C7 ABC6D7 -1.5 10.63 -6.06 -0.13 0
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408656 135081424 1 BrKH6C7 ABC6D7 8.37 10.54 -6.13 -0.16 0
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408657 135081425 1 ClKH6C7 ABC6D7 -4.16 10.19 -6.29 -0.17 1
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408658 135081426 1 KSiC9H19 ABC9D19 -38.82 10.05 -5.79 0.16 0
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408659 135081427 1 SiC9H19 AB9C19 -29.82 0.34 0.0 0.0 0
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408660 135081428 1 KF2H3C6 AB2C3D6 -61.48 9.66 -7.2 0.1 1
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408661 135081429 1 KSiC11H23 ABC11D23 7.09 35.41 -4.06 -1.88 0
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408662 135081430 1 SiC11H23 AB11C23 -39.79 0.34 0.0 0.0 1
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408663 135081431 1 KSiC15H31 ABC15D31 -8.8 35.66 -4.13 -1.64 0
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408664 135081432 1 SiC15H31 AB15C31 -59.4 0.37 0.0 0.0 1
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408665 135081433 1 KSiC7H15 ABC7D15 -28.5 10.03 -5.71 0.2 0
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408666 135081434 1 SiC7H15 AB7C15 -20.37 0.42 0.0 0.0 1
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408667 135081435 1 KSiC7H15 ABC7D15 -15.46 9.93 -5.11 0.3 0
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408668 135081436 1 FKSiO2C11H16 ABCD2E11F16 -143.2 9.26 -7.36 0.56 0
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408669 135081437 1 KO2F3H8C9 AB2C3D8E9 -233.99 6.31 -7.89 0.24 0
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408670 135081438 1 KO2F3H8C9 AB2C3D8E9 -225.37 8.88 -6.87 -0.07 1
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408671 135081439 1 KH19C22 AB19C22 84.2 9.21 -5.81 0.13 0
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408672 135081440 1 H19C22 A19B22 108.85 0.02 0.0 0.0 1
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408673 135081441 1 KC9H9 AB9C9 23.37 10.17 -5.94 -0.1 1
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408674 135081442 1 KC6H9 AB6C9 32.31 8.78 -5.44 0.29 1
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408675 135081443 1 KC8H15 AB8C15 -3.28 8.86 -5.37 0.33 1
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408676 135081444 1 KC9H17 AB9C17 -12.21 9.43 -5.41 0.27 0
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408677 135081445 1 C9H17 A9B17 -10.42 0.96 0.0 0.0 1
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408678 135081446 1 TeN2H5C6 AB2C5D6 82.55 4.05 0.0 0.0 0
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408679 135081447 1 SN4H8C13 AB4C8D13 119.85 0.79 -8.63 -1.46 0
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408680 135081448 1 OC20H20 AB20C20 22.6 2.45 -9.04 0.2 0
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408681 135081449 1 NO5C14H19 AB5C14D19 -225.15 3.7 -9.33 -0.05 0
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408683 135081451 1 PdN2O2C20H35 AB2C2D20E35 -58.53 2.53 0.0 0.0 0
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408684 135081452 1 ZrCl2C24H24 AB2C24D24 -38.53 2.38 -7.57 -1.6 0
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408685 135081453 24 CH AB 82.72 1.53 -8.44 -0.53 0
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408686 135081454 1 ZrCl2C24H24 AB2C24D24 24.89 5.83 -7.54 -2.24 0
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408687 135081455 24 CH AB 96.63 0.49 -8.8 -0.63 0
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408688 135081456 1 ZrCl2C32H40 AB2C32D40 32.28 3.28 -6.87 -0.98 0
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408689 135081457 8 C4H5 A4B5 58.68 0.68 -8.6 -0.37 0
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408690 135081458 1 ZrCl2C29H34 AB2C29D34 45.23 4.59 -7.02 -1.01 0
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408691 135081459 1 C29H34 A29B34 88.06 2.13 -8.42 -0.17 0
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408692 135081460 1 ZrCl2C30H36 AB2C30D36 -15.72 3.38 -7.64 -1.82 0
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408693 135081461 6 C5H6 A5B6 77.66 1.51 -8.36 -0.12 0
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408694 135081462 1 NiBr2N2C24H32 AB2C2D24E32 52.18 6.82 -8.18 -0.8 0
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408695 135081463 2 NC12H16 AB12C16 19.8 3.4 -8.46 0.3 0
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408696 135081464 1 NiBr2N2C32H48 AB2C2D32E48 25.38 1.31 -7.96 -0.57 0
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408697 135081465 2 NC16H24 AB16C24 -11.7 2.71 -8.37 0.46 0
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408698 135081466 1 ZrCl2C25H26 AB2C25D26 35.78 6.08 -7.58 -2.22 0
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408699 135081467 1 ZrCl2C33H42 AB2C33D42 23.21 5.92 -6.96 -1.08 0
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408700 135081468 3 C11H14 A11B14 62.75 1.65 -8.36 -0.13 0
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408701 135081469 1 PdBr2N2C28H40 AB2C2D28E40 42.91 2.0 -7.65 -0.08 0
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408702 135081470 1 ZrCl2H24C32 AB2C24D32 13.46 1.73 -7.58 -1.81 0
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408703 135081471 1 PdBr2N2C32H48 AB2C2D32E48 340.65 15.09 -7.44 -1.74 0
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408704 135081472 1 BNSiC6H17 ABCD6E17 84.28 6.73 0.0 0.0 0
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408705 135081473 1 BSiH2 ABC2 143.6 0.25 0.0 0.0 0
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408708 135081476 1 BSiC16H19 ABC16D19 131.13 1.48 -7.34 -0.39 0
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408709 135081477 1 N6C15H20 A6B15C20 82.13 2.23 -8.37 0.02 0
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408710 135081478 1 NTeH5C7 ABC5D7 74.7 2.75 -8.68 -1.19 -1
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408711 135081479 1 P2H5C7 A2B5C7 61.5 3.07 0.0 0.0 0
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408712 135081480 1 NO5C12H17 AB5C12D17 -214.58 4.11 -10.78 -1.05 0
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408713 135081481 1 O2N3C14H19 A2B3C14D19 -24.48 4.04 -8.14 0.18 0
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408714 135081482 1 O9C30H32 A9B30C32 -356.13 8.62 -9.05 -0.67 0
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408715 135081483 1 LiNC18H24 ABC18D24 -4.5 5.52 -7.07 0.97 -1
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408716 135081484 1 PtO2P2C25H33 AB2C2D25E33 -9.52 5.74 0.0 0.0 0
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408717 135081485 1 O9C27H28 A9B27C28 -359.37 5.89 -9.11 -0.73 0
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408718 135081486 2 O5C15H16 A5B15C16 -391.69 8.06 -9.07 -0.88 0
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408719 135081487 1 LiNH22C24 ABC22D24 141.87 11.74 -6.53 0.09 0
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408720 135081488 1 SN2O3C14H20 AB2C3D14E20 -126.61 4.88 -8.69 -0.45 0
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408721 135081489 1 BrSC15H25 ABC15D25 -15.49 6.34 -7.56 -0.09 0
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408722 135081490 1 BrSeC9H13 ABC9D13 11.22 4.68 -8.45 -0.32 0
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408723 135081491 1 NO4C9H13 AB4C9D13 -153.87 6.15 -8.76 -0.08 0
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408724 135081492 1 SF3O4H7C10 AB3C4D7E10 -254.04 6.43 -8.95 -1.35 0
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408725 135081493 1 ClPSC7O8H18 ABCD7E8F18 -268.81 12.75 -11.33 -2.63 0
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408726 135081494 1 NP2C17H31 AB2C17D31 -35.05 3.42 -7.67 0.44 0
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408728 135081496 1 O9N12C48H64 A9B12C48D64 -336.87 4.07 -8.27 -0.02 0