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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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397642 135030508 1 NOH20C21 ABC20D21 30.05 2.38 0.0 0.0 0
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397643 135030510 1 SO2C17H22 AB2C17D22 -44.65 3.37 -8.46 -0.17 0
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397644 135030514 1 O3C17H22 A3B17C22 -80.33 3.4 -8.94 -0.18 0
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397645 135030516 1 O3C17H24 A3B17C24 -107.36 3.83 -9.27 0.78 0
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397646 135030519 1 BrNSO4C24H30 ABCD4E24F30 -105.95 5.72 -9.41 -0.36 0
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397647 135030522 1 BrO6C24H33 AB6C24D33 -228.39 0.97 -9.65 -0.04 0
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397648 135030524 1 ON3H15C16 AB3C15D16 56.62 3.77 -8.3 -0.38 0
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397649 135030525 1 ON2H20C23 AB2C20D23 54.56 2.9 -8.74 -0.08 0
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397650 135030526 1 ON3H21C23 AB3C21D23 66.17 5.62 -8.14 -0.14 0
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397651 135030528 1 N4H12C13 A4B12C13 123.33 3.28 -8.52 -0.44 0
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397652 135030529 1 SN5O5C30H37 AB5C5D30E37 -125.24 7.18 -8.84 -0.81 0
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397656 135030534 1 OH34C35 AB34C35 84.71 1.73 -8.94 0.22 0
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397658 135030536 1 OF3H25C30 AB3C25D30 -49.32 3.23 -9.66 -0.79 0
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397659 135030537 1 NO2C12H21 AB2C12D21 -71.47 4.26 -8.99 0.19 0
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397660 135030538 1 NF2O2C14H19 AB2C2D14E19 -192.19 2.7 -9.21 -0.4 0
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397661 135030539 1 NSF2O3C18H19 ABC2D3E18F19 -192.12 2.69 -9.18 -0.95 0
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397662 135030540 1 NSiF2O2C26H29 ABC2D2E26F29 -176.98 2.93 -8.99 -0.51 0
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397663 135030541 1 NOF2C19H19 ABC2D19E19 -116.23 1.26 -9.08 -0.4 0
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397664 135030542 1 BrNOF2H16C17 ABCD2E16F17 -107.25 3.33 -9.23 -0.43 0
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397665 135030543 1 O4C21H22 A4B21C22 -117.14 4.79 -9.41 -0.77 0
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397666 135030544 1 NO5C17H23 AB5C17D23 -206.43 1.92 -9.57 0.04 0
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397667 135030545 1 F2N3O3C27H27 A2B3C3D27E27 -167.37 4.66 -9.2 -0.42 0
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397668 135030546 1 NO3C19H19 AB3C19D19 -75.78 4.83 -9.18 -1.47 0
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397669 135030548 1 SSiO2C24H36 ABC2D24E36 -124.13 2.37 -8.06 -0.09 0
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397670 135030549 1 NS2O3C17H17 AB2C3D17E17 -63.49 3.75 -8.16 -0.43 0
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397671 135030550 1 NO2S2H19C22 AB2C2D19E22 -0.03 6.18 -8.18 -0.86 0
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397672 135030551 1 NO8C34H49 AB8C34D49 -383.26 6.23 -9.36 -0.24 0
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397673 135030556 1 NO3C17H19 AB3C17D19 -83.05 3.27 -8.64 0.1 0
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397674 135030563 1 NO2C5H10 AB2C5D10 -67.63 1.99 0.0 0.0 0
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397675 135030564 1 SiO3C14H26 AB3C14D26 -183.56 5.16 -8.97 -0.36 0
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397676 135030565 1 ON2C22H26 AB2C22D26 -2.98 4.54 -8.05 0.17 0
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397677 135030566 2 NO2C12H14 AB2C12D14 -112.86 5.59 -7.83 -0.21 0
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397678 135030567 1 N2O3C25H30 A2B3C25D30 -74.17 2.84 -7.89 -0.37 0
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397679 135030568 2 NC4H7 AB4C7 25.04 1.35 -8.7 1.37 0
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397680 135030569 1 FNO4C12H18 ABC4D12E18 -209.54 4.33 -9.93 -0.54 0
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397681 135030571 1 O3Cl10C14H14 A3B10C14D14 -193.8 4.68 -10.67 -1.01 -1
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397682 135030572 1 O3Cl8C13H13 A3B8C13D13 -157.16 5.64 0.0 0.0 0
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397683 135030574 2 SC5H10 AB5C10 -41.56 2.94 -8.5 0.43 0
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397684 135030575 2 NC10H13 AB10C13 24.31 3.11 -8.85 -0.31 0
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397685 135030576 1 ON4H20C28 AB4C20D28 174.92 10.65 -10.24 -1.18 0
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397686 135030577 1 O5H26C28 A5B26C28 -118.13 1.82 -9.56 -0.82 0
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397687 135030578 1 O3H24C32 A3B24C32 47.36 3.14 -9.35 -1.88 0
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397688 135030579 1 NSiO4C28H47 ABC4D28E47 -223.08 4.82 -8.54 -0.96 0
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397689 135030580 1 NO4C19H27 AB4C19D27 -188.22 1.9 -9.62 -0.75 0
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397690 135030581 1 O7C43H60 A7B43C60 -270.49 3.85 -9.31 0.26 0
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397691 135030582 1 NO9C31H55 AB9C31D55 -478.7 3.64 -9.51 -0.61 0
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397692 135030583 1 O6H20C21 A6B20C21 -187.74 3.93 -9.8 -1.28 0
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397694 135030585 1 O5C19H30 A5B19C30 -234.55 4.29 -9.03 0.51 0
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397695 135030586 1 O2C17H30 A2B17C30 -149.85 2.41 -10.18 0.91 0
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397696 135030587 2 OC10H10 AB10C10 -9.55 3.0 -9.44 -0.76 0
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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