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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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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