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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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412646 135085543 1 LuNOPSi2C39H56 ABCDE2F39G56 -467.53 7.57 0.0 0.0 1
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412649 135085546 1 IrNP2O4H41C52 ABC2D4E41F52 234.7 17.39 0.0 0.0 -1
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412651 135085555 1 IrN2O3C13H17 AB2C3D13E17 -12.72 12.86 -8.24 -3.01 -1
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412652 135085557 1 FeN2O3H59C70 AB2C3D59E70 147.79 5.04 0.0 0.0 2
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412654 135085561 1 ClRuSN2O2H30C33 ABCD2E2F30G33 175.2 5.69 0.0 0.0 -2
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412655 135085567 1 NReP2O3C19H41 ABC2D3E19F41 -120.54 4.57 0.0 0.0 0
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412656 135085568 1 ClRuSN2O3C32H36 ABCD2E3F32G36 77.9 8.55 0.0 0.0 1
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412657 135085569 1 RuSO2N3C30H39 ABC2D3E30F39 47.92 23.1 -6.97 -2.41 1
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412658 135085570 1 MnPN3O3C16H30 ABC3D3E16F30 42.12 12.34 0.0 0.0 0
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412659 135085571 1 PN3C13H26 AB3C13D26 -11.65 3.22 -8.58 0.85 0
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412660 135085572 1 ClIrNOC18H19 ABCDE18F19 173.72 27.14 -9.64 -4.84 3
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412662 135085574 1 CoPCl2N2C19H36 ABC2D2E19F36 -95.57 28.46 -9.94 -7.05 0
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412663 135085575 2 NOPC21H23 ABCD21E23 -14.25 2.11 -7.56 0.14 1
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412664 135085576 1 FeNBr2P2C26H42 ABC2D2E26F42 -45.76 20.16 0.0 0.0 1
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412665 135085577 1 IrNOPC62H77 ABCDE62F77 81.02 44.69 -8.67 -4.6 1
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412667 135085579 1 O2Os2P2N4C30H53 A2B2C2D4E30F53 -252.41 11.32 0.0 0.0 3
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412668 135085580 1 RhP2C30H36 AB2C30D36 23.38 15.65 0.0 0.0 -1
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412670 135085583 2 RhO2C6H12 AB2C6D12 -202.33 7.19 -9.68 -4.16 6
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412672 135085586 1 RhC8H12 AB8C12 47.64 16.8 0.0 0.0 2
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412673 135085587 2 BPC8H10 ABC8D10 290.85 3.43 -4.86 -0.41 0
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412674 135085588 1 OP2N5F6C10H17 AB2C5D6E10F17 -427.08 8.54 -10.01 -1.83 0
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412675 135085589 1 BrP2F6C15H27 AB2C6D15E27 -532.46 20.5 -11.42 -1.3 0
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412676 135085590 1 BrOP2F6N7C17H28 ABC2D6E7F17G28 -427.04 16.89 -8.3 -1.36 0
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412677 135085591 1 O2N3H9C10 A2B3C9D10 7.1 1.94 -9.67 -1.3 0
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412678 135085592 1 ILiOZnCl2H6C7 ABCDE2F6G7 -114.37 7.23 -9.36 -1.35 0
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412679 135085593 1 ClZnO2C9H9 ABC2D9E9 -10.18 4.53 -7.86 -1.92 0
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412680 135085594 1 IO2C11H13 AB2C11D13 -52.26 1.35 -9.46 -1.19 1
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412681 135085595 1 BPF2H9C12 ABC2D9E12 69.83 4.12 0.0 0.0 0
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412682 135085596 1 SF3O3C9H11 AB3C3D9E11 -258.77 2.57 -9.98 -1.37 0
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412683 135085597 1 BrNO2C10H12 ABC2D10E12 -69.77 3.36 -9.6 -0.34 0
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412684 135085598 1 ClHgC9H11 ABC9D11 66.09 7.65 -7.98 -1.74 0
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412685 135085599 1 NOSC12H13 ABCD12E13 3.58 3.64 -9.69 -0.41 0
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412686 135085600 1 BrFO2C10H10 ABC2D10E10 -82.54 3.07 -8.59 -0.41 0
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412687 135085601 1 O2C11H12 A2B11C12 -1.63 4.23 -8.6 -0.06 0
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412688 135085602 1 BrMgC11H11 ABC11D11 15.85 2.05 -9.02 -0.35 0
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412689 135085603 2 OC5H9 AB5C9 -97.6 2.87 -10.09 1.98 0
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412690 135085604 2 OC7H12 AB7C12 -118.47 2.15 -9.55 0.18 0
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412691 135085605 1 NS2C5H5 AB2C5D5 69.51 4.02 -8.71 -0.34 0
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412692 135085606 1 LiNO3C12H12 ABC3D12E12 -134.03 2.01 -8.35 0.13 0
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412693 135085607 1 NO2F3H8C11 AB2C3D8E11 -172.47 0.92 -10.47 -0.86 0
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412694 135085608 1 NO2C24H41 AB2C24D41 -162.3 6.98 -8.76 0.58 0
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412695 135085609 1 ClILiZnC6H11 ABCDE6F11 -55.36 7.57 -9.64 -2.23 0
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412696 135085610 1 O3C15H16 A3B15C16 -88.1 7.83 -9.22 -0.84 0
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412697 135085611 1 OSiCl2C11H22 ABC2D11E22 -134.96 2.22 -8.85 0.21 0
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412698 135085612 1 ClO3C10H19 AB3C10D19 -176.35 2.39 -9.9 0.25 0
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412699 135085613 1 NO2C13H15 AB2C13D15 -52.05 2.91 -10.13 -0.72 0
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412700 135085614 1 NO2H11C13 AB2C11D13 11.92 3.3 -8.44 -0.12 0
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412701 135085615 1 NOSC14H25 ABCD14E25 -63.11 3.82 -9.6 -0.91 0
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412702 135085616 1 BrOC11H15 ABC11D15 -40.96 2.09 -8.89 0.04 0
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412703 135085617 1 NaSO4C7H11 ABC4D7E11 -201.87 10.97 -10.31 0.49 0