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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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397697 135030588 2 NOC12H14 ABC12D14 -18.44 1.79 -9.26 0.09 0
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397698 135030589 2 NOC19H20 ABC19D20 34.14 3.45 -8.93 -0.02 0
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397699 135030590 2 NOC22H22 ABC22D22 155.26 1.63 -8.66 0.25 0
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397700 135030591 2 NOH21C22 ABC21D22 260.5 9.57 -7.38 -0.27 0
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397701 135030592 1 SN2O2C44H44 AB2C2D44E44 126.24 7.27 -6.69 -1.32 0
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397702 135030594 1 NO5H25C28 AB5C25D28 -133.95 3.19 -8.75 -0.57 -2
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397703 135030596 1 YC8H10 AB8C10 82.88 3.57 0.0 0.0 1
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397704 135030597 1 SF3O6C46H48 AB3C6D46E48 -298.53 4.04 0.0 0.0 0
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397705 135030598 1 KN2O5H9C15 AB2C5D9E15 -202.94 10.21 -8.49 -0.98 0
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397706 135030599 1 N2O5H10C15 A2B5C10D15 -110.19 3.5 -8.95 -1.37 0
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397707 135030600 1 KN2O3H9C14 AB2C3D9E14 -110.7 10.72 -8.27 -0.98 0
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397708 135030601 1 N2O3H10C14 A2B3C10D14 -39.82 3.17 -8.84 -0.82 0
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397709 135030602 1 NSiO3C20H27 ABC3D20E27 -124.58 2.13 -9.18 -0.02 0
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397710 135030603 1 SSiF3O4C17H19 ABC3D4E17F19 -295.24 3.94 -9.11 -1.21 0
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397711 135030604 1 BrClON5C9H9 ABCD5E9F9 9.66 5.76 -9.86 -1.41 0
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397712 135030606 1 SiO2C13H20 AB2C13D20 -89.65 4.16 -9.63 -0.41 0
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397713 135030607 1 NSiO2C26H35 ABC2D26E35 -115.23 1.53 -8.73 -0.73 0
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397714 135030608 1 O5C14H22 A5B14C22 -239.44 2.4 -9.9 0.48 0
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397715 135030609 2 O2H9C10 A2B9C10 -114.84 2.45 -8.39 -0.91 0
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397716 135030610 1 SO3H14C17 AB3C14D17 -76.84 2.01 -8.67 -0.94 0
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397717 135030611 1 N3C10H17 A3B10C17 46.71 4.25 -9.25 0.21 0
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397718 135030613 1 N2F3O4H17C19 A2B3C4D17E19 -278.87 7.07 -9.42 -1.33 0
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397719 135030614 1 NO4C19H21 AB4C19D21 -136.66 5.06 -9.83 -0.76 0
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397720 135030616 1 NO4C21H25 AB4C21D25 -145.74 4.14 -9.69 -0.64 0
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397721 135030617 1 Cl3O3C11H13 A3B3C11D13 -130.77 4.31 -10.48 -0.66 0
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397722 135030618 1 O3H12C20 A3B12C20 -25.14 6.04 -9.19 -0.94 0
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397723 135030619 1 N3O3C29H35 A3B3C29D35 -108.16 7.05 -8.69 -0.26 0
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397724 135030620 1 N4O4C35H42 A4B4C35D42 -145.07 7.22 -8.23 -0.16 0
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397725 135030624 1 BrO3C18H25 AB3C18D25 -94.06 2.4 -9.56 0.05 0
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397726 135030625 3 OC6H8 AB6C8 -85.08 2.54 -8.99 -0.08 0
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397727 135030628 1 BrO4C18H23 AB4C18D23 -104.29 3.08 -9.67 -0.2 0
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397728 135030630 1 BrO5C20H27 AB5C20D27 -155.14 2.97 -9.55 0.07 0
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397729 135030638 1 NOH15C18 ABC15D18 29.62 3.31 -8.76 -0.22 0
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397730 135030639 1 NOH17C19 ABC17D19 27.32 3.37 -9.14 -0.22 0
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397731 135030640 1 NO2H17C24 AB2C17D24 30.52 1.38 -9.37 -0.68 0
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397732 135030641 1 FN2H11C18 AB2C11D18 66.69 4.46 -9.77 -0.88 0
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397733 135030644 1 O2N3H15C16 A2B3C15D16 -11.69 2.93 -8.98 -1.1 0
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397734 135030645 1 ClN3O3C25H28 AB3C3D25E28 -73.79 7.31 -8.58 -0.39 0
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397735 135030646 1 OCl2N3H17C25 AB2C3D17E25 119.6 4.63 -9.01 -1.04 0
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397736 135030647 1 SO2N3C21H25 AB2C3D21E25 2.19 1.1 -7.86 -0.64 0
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397737 135030650 1 BrNO7C25H32 ABC7D25E32 -278.75 5.95 -8.9 -0.97 0
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397738 135030651 1 NO6C22H27 AB6C22D27 -227.43 5.74 -9.35 -0.68 0
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397740 135030655 1 O2H18C23 A2B18C23 28.63 2.7 -9.26 -0.56 0
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397741 135030656 1 OH22C26 AB22C26 54.39 3.48 -9.23 -0.59 0
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397742 135030657 1 OH20C22 AB20C22 48.8 2.6 -9.17 0.25 0
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397743 135030658 1 O3H20C22 A3B20C22 -56.0 4.39 -9.43 -0.66 0
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397744 135030659 1 OH16C19 AB16C19 40.01 2.94 -9.28 0.07 0
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397745 135030660 1 OH22C26 AB22C26 54.19 3.78 -9.15 -0.61 1
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397746 135030662 1 OH21C25 AB21C25 58.64 2.38 0.0 0.0 0
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397747 135030663 2 OH10C11 AB10C11 0.24 3.25 -9.08 0.02 0