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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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411679 135084513 1 CuO2N3H19C25 AB2C3D19E25 87.27 5.39 0.0 0.0 1
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411681 135084515 1 RuH10C15 AB10C15 195.34 8.65 -8.42 -3.15 0
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411682 135084516 1 NO4C17H31 AB4C17D31 -235.38 6.09 -10.23 0.24 0
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411684 135084518 1 N2Rh2O4C7H11 A2B2C4D7E11 -147.53 5.55 0.0 0.0 0
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411687 135084521 1 BPdC6H15 ABC6D15 49.47 0.01 -7.46 0.89 0
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411688 135084522 1 P2O4H42C45 A2B4C42D45 -65.01 1.29 -7.98 -0.37 0
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411689 135084523 1 KSN3O4C9H10 ABC3D4E9F10 -76.48 5.16 -7.41 -0.74 -1
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411692 135084526 1 SP3N7O19C25H40 AB3C7D19E25F40 -975.86 13.43 -9.43 -0.91 -1
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411693 135084527 1 SiZnO2C24H30 ABC2D24E30 60.27 12.9 -5.38 -2.05 -1
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411694 135084528 1 RhP2C21H39 AB2C21D39 -133.25 18.55 -9.18 -2.03 0
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411695 135084529 2 O2C7H7 A2B7C7 -121.86 2.07 -9.06 -0.08 -2
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411696 135084530 1 Al2Si2O5C8H27 A2B2C5D8E27 -588.38 7.16 0.0 0.0 0
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411697 135084531 1 AlSiO2C4H13 ABC2D4E13 -255.37 3.59 -9.8 0.61 0
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411698 135084532 1 IO2C12H15 AB2C12D15 -69.66 2.99 -9.07 -0.8 0
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411699 135084533 1 OC13H16 AB13C16 -22.45 2.83 -9.53 0.29 0
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411700 135084534 1 O4C13H18 A4B13C18 -100.93 0.59 -10.13 0.42 0
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411701 135084535 1 SO3C9H10 AB3C9D10 -82.29 3.68 -9.75 -0.42 0
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411702 135084536 1 ClO3C13H15 AB3C13D15 -122.86 2.83 -9.83 -0.68 0
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411703 135084537 1 O3C13H16 A3B13C16 -115.27 2.05 -9.63 -0.13 0
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411704 135084538 1 BrH13C14 AB13C14 99.25 1.13 -9.02 -0.46 0
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411705 135084539 1 C9H14 A9B14 35.08 2.06 -9.19 0.57 0
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411706 135084540 1 ClON2H9C13 ABC2D9E13 12.78 3.92 -9.19 -0.99 0
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411707 135084541 1 ClON2H9C12 ABC2D9E12 14.65 0.97 -8.45 -0.85 0
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411708 135084542 1 PN3O3C9H20 AB3C3D9E20 -157.88 2.62 -7.7 0.28 0
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411709 135084543 1 SiO2C12H19 AB2C12D19 -62.2 0.38 0.0 0.0 0
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411710 135084544 1 ClON2H33C34 ABC2D33E34 54.5 12.82 -8.8 -1.56 2
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411711 135084545 1 ON2C18H30 AB2C18D30 -29.65 12.18 -6.86 0.75 0
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411712 135084546 1 NiN2S2F6O8C19H30 AB2C2D6E8F19G30 -588.77 12.2 -8.95 -2.1 1
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411713 135084547 1 N2Zn2O3C46H53 A2B2C3D46E53 -88.49 12.23 0.0 0.0 1
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411714 135084548 1 N2Zn2O3C46H53 A2B2C3D46E53 -124.78 24.38 0.0 0.0 6
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411717 135084551 1 N2O3C14H18 A2B3C14D18 -37.32 6.45 -8.88 -1.42 0
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411718 135084552 1 O2N3H31C34 A2B3C31D34 41.67 3.93 -8.64 -1.43 6
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411719 135084553 1 LaLi3O6H57C66 AB3C6D57E66 -260.24 8.58 0.0 0.0 6
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411721 135084555 1 NOReP2C31H31 ABCD2E31F31 281.96 6.12 0.0 0.0 0
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411722 135084556 1 BLiO4H24C40 ABC4D24E40 -124.03 7.45 -8.08 -0.91 0
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411723 135084557 1 NOP2H33C44 ABC2D33E44 94.94 3.34 -8.2 -0.48 0
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411724 135084558 2 NNiO2H12C17 ABC2D12E17 144.34 8.35 -6.8 -1.0 4
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411725 135084559 2 NNiO2H12C17 ABC2D12E17 116.12 5.42 -7.52 -1.06 2
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411726 135084560 1 PdP2O6C46H50 AB2C6D46E50 -140.38 11.18 -5.88 -0.32 0
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411727 135084561 1 CuN2O4C20H22 AB2C4D20E22 -62.01 1.92 0.0 0.0 0
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411730 135084564 1 Rh2S4N8O12C47H62 A2B4C8D12E47F62 -482.99 27.45 -9.78 -4.16 0
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411731 135084565 1 SN2O3C11H14 AB2C3D11E14 -98.8 4.91 -9.9 -0.6 0
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411732 135084566 1 NRh2O4C17H17 AB2C4D17E17 -109.57 21.97 -9.64 -5.52 0
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411733 135084567 1 NO4C17H17 AB4C17D17 -152.48 5.46 -9.8 -1.74 0
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411734 135084568 1 CuO3C8H8 AB3C8D8 -36.56 5.51 0.0 0.0 2
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411735 135084569 1 ClPdO2P2C18H33 ABC2D2E18F33 -138.52 7.65 -7.47 0.86 0
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411736 135084570 1 NRh2O4C11H11 AB2C4D11E11 -126.14 19.39 -10.24 -5.25 0
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411737 135084571 1 NO4C11H11 AB4C11D11 -149.26 4.51 -10.41 -1.59 0
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411738 135084572 1 OSN5H39C41 ABC5D39E41 113.06 3.62 -8.11 -0.81 0
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411739 135084573 1 N2O2H30C33 A2B2C30D33 46.57 3.86 -8.17 -1.03 0
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411740 135084574 2 NOC13H14 ABC13D14 6.83 2.48 -8.63 -0.62 0
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411741 135084575 1 OSN5C41H41 ABC5D41E41 82.73 7.78 -8.22 -0.76 0
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411742 135084576 1 RhN2O7C30H32 AB2C7D30E32 -224.64 16.76 0.0 0.0 0
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411743 135084577 2 RhH4O4C9F14 AB4C4D9E14 -1758.91 17.34 -9.51 -6.04 0
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411745 135084579 2 AuClOPC21H28 ABCDE21F28 -147.24 9.82 -8.72 -2.13 0
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411746 135084580 1 PI4O5H25C31 AB4C5D25E31 -99.29 3.32 -8.09 -1.09 0
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411748 135084582 2 AuClPO4C37H51 ABCD4E37F51 -294.61 30.55 -6.6 -1.84 0
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411749 135084583 2 NOC17H18 ABC17D18 -1.83 0.85 -8.81 -0.76 0
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411750 135084584 1 TiN4C12H20 AB4C12D20 16.95 4.95 -8.46 -1.05 -2
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411751 135084585 1 ClNiP2N3C38H39 ABC2D3E38F39 107.28 7.23 0.0 0.0 0
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411752 135084586 1 P2N3C38H41 A2B3C38D41 106.74 2.78 -7.44 -0.61 1
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411753 135084587 1 BNOC9H13 ABCD9E13 -40.89 7.42 0.0 0.0 0
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411754 135084588 2 ORhC4H9 ABC4D9 -150.0 9.72 -9.96 -6.51 -1
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411755 135084589 1 BN2O2C16H18 AB2C2D16E18 -67.78 7.01 0.0 0.0 0
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411756 135084590 1 BN2O2C16H19 AB2C2D16E19 -88.05 5.19 -7.81 -0.66 0
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411758 135084592 1 IrON3C32H48 ABC3D32E48 42.59 32.23 -9.18 -3.8 0
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411759 135084593 1 IrON3C32H48 ABC3D32E48 43.91 30.66 -9.23 -3.84 0
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411760 135084594 1 SiN2O6C32H44 AB2C6D32E44 -241.83 2.15 -8.89 -0.54 2
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411761 135084595 1 PdN2P2F5H29C38 AB2C2D5E29F38 4.89 6.85 -6.84 -1.2 0
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411762 135084596 6 NC7H9 AB7C9 122.77 6.19 -7.63 0.04 0
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411763 135084597 1 PC27H27 AB27C27 82.62 1.52 -8.61 0.13 0
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411764 135084598 2 C3O3H4 A3B3C4 -232.22 4.25 -10.5 -1.47 0
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411765 135084599 1 NNaO3H6C7 ABC3D6E7 -47.14 6.33 -8.45 -1.04 0
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411766 135084600 1 BrO2C12H15 AB2C12D15 -57.24 1.65 -8.73 0.11 0
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411767 135084601 2 OC5H11 AB5C11 -137.29 1.06 -9.98 2.39 0
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411768 135084602 1 F2O2C13H14 A2B2C13D14 -167.69 2.72 -9.43 -0.24 0
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411769 135084603 1 BrNSO2C12H14 ABCD2E12F14 -9.11 6.13 -9.36 -1.22 0
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411770 135084604 1 OSC13H16 ABC13D16 18.01 1.43 -7.96 0.14 0
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411771 135084605 1 OC10H16 AB10C16 -26.67 2.23 -9.64 1.88 0
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411772 135084606 1 FNOSC11H12 ABCDE11F12 -59.12 2.32 -8.16 -0.05 3
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411773 135084618 1 O3N6C25H35 A3B6C25D35 -60.16 6.59 0.0 0.0 2
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411774 135084619 1 ON4C17H24 AB4C17D24 5.13 3.44 -6.48 0.13 0
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411776 135084621 2 NOCl2C13H14 ABC2D13E14 -59.62 4.88 -9.04 -0.68 0
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411777 135084622 1 ClSN2O5C35H37 ABC2D5E35F37 -110.06 12.85 -7.97 -1.18 -1
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411779 135084624 1 RhF6C24H36 AB6C24D36 -215.74 7.35 0.0 0.0 6
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411781 135084626 1 PPdCl2N2H16C17 ABC2D2E16F17 165.25 5.13 0.0 0.0 4
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411782 135084627 1 NiO2P2N3C53H59 AB2C2D3E53F59 250.07 27.6 -4.59 -1.07 0
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411783 135084628 1 NOPH18C22 ABCD18E22 46.93 1.73 -8.62 -0.6 1
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411784 135084629 1 OPN2C23H26 ABC2D23E26 17.27 3.88 0.0 0.0 -1
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411785 135084630 1 ClRhP2O5H28C36 ABC2D5E28F36 121.91 23.24 -9.24 -5.84 0
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411786 135084631 1 FePC26H43 ABC26D43 223.85 4.14 -6.44 -3.55 -1
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411788 135084633 1 Rh2N4O12C24H37 A2B4C12D24E37 -417.38 3.6 0.0 0.0 0
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411789 135084634 2 N2O6C12H19 A2B6C12D19 -436.47 2.11 -9.38 0.14 1
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411790 135084635 1 P2Rh2O4F6H45C46 A2B2C4D6E45F46 -450.25 43.72 0.0 0.0 0
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411791 135084636 2 C2H2O2F3 A2B2C2D3 -427.52 1.32 -11.26 -1.9 1
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411792 135084637 1 P2H41C42 A2B41C42 97.08 7.1 0.0 0.0 -1
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411793 135084638 1 Rh2F4N4O12H41C44 A2B4C4D12E41F44 -414.57 7.97 0.0 0.0 0
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411794 135084639 2 F2N2O6H21C22 A2B2C6D21E22 -449.85 4.91 -9.6 -0.49 0
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411795 135084640 1 PdC2S2H4F6O8 AB2C2D4E6F8 -629.06 10.84 -10.28 -1.56 1
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411796 135084641 1 N2C23H39 A2B23C39 4.33 1.14 0.0 0.0 3