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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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7626 73556 2 OC5H9 AB5C9 -126.26 4.93 -10.59 0.78 0
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7627 73558 1 NO2C8H9 AB2C8D9 -64.43 3.16 -9.97 -0.21 0
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7628 73559 1 NO2C8H11 AB2C8D11 -98.08 3.72 -10.6 -0.06 0
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7629 73560 2 NOC3H5 ABC3D5 -89.8 2.6 -10.44 0.52 0
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7630 73561 1 NO2C3H9 AB2C3D9 -97.18 3.88 -9.98 2.37 0
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7631 73565 2 NOC5H5 ABC5D5 -60.65 3.44 -9.9 -0.27 0
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7632 73567 1 N2O20C55H88 A2B20C55D88 -954.78 3.8 -8.75 0.2 0
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7633 73568 1 O18H22C27 A18B22C27 -650.59 5.0 -9.26 -1.47 0
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7634 73570 1 O3C14H22 A3B14C22 -138.48 5.22 -9.59 -0.76 0
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7635 73572 2 O5H8C12 A5B8C12 -370.41 7.24 -9.48 -2.54 0
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7636 73575 1 NO12H25C29 AB12C25D29 -439.82 7.65 -9.38 -2.5 0
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7637 73576 1 NO11H25C29 AB11C25D29 -403.8 9.92 -9.34 -2.28 0
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7638 73577 1 O6N7C20H21 A6B7C20D21 -173.76 13.86 -8.87 -1.63 0
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7640 73587 2 O2N3C7H12 A2B3C7D12 -152.6 6.04 -9.33 -0.02 0
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7641 73589 1 O7C19H22 A7B19C22 -224.95 4.7 -10.66 -1.17 0
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7642 73592 1 O15C29H36 A15B29C36 -606.31 3.82 -8.86 -1.35 0
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7643 73594 1 N2O3C20H22 A2B3C20D22 33.82 2.81 -8.36 -0.5 0
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7644 73595 2 O2C10H15 A2B10C15 -190.5 4.8 -9.27 -0.49 0
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7645 73601 1 PO9C19H27 AB9C19D27 -420.12 4.31 -9.38 -0.49 0
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7646 73602 1 NO8C28H37 AB8C28D37 -313.05 6.01 -9.41 -0.1 0
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7647 73610 2 O3C15H20 A3B15C20 -109.56 2.65 -7.67 -0.24 0
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7648 73622 1 ClN2O11C35H37 AB2C11D35E37 -405.66 4.14 -8.84 -1.0 0
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7649 73626 2 O3C13H17 A3B13C17 -224.05 5.78 -9.61 0.2 0
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7650 73650 1 O16C29H34 A16B29C34 -626.8 7.15 -8.91 -1.41 0
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7651 73651 1 O2N5C10H13 A2B5C10D13 -34.39 1.51 -9.07 -0.51 0
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7652 73654 1 N2O2C21H25 A2B2C21D25 -19.09 4.75 0.0 0.0 1
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7653 73656 4 NO3C11H15 AB3C11D15 -425.22 3.87 -7.51 -1.49 0
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7654 73659 2 O2C15H24 A2B15C24 -225.19 5.85 -9.43 0.95 0
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7655 73660 1 N4O8C25H30 A4B8C25D30 -292.42 3.11 -8.58 -0.98 0
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7656 73667 1 NO2C4H9 AB2C4D9 -92.39 4.85 -9.86 0.76 0
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7657 73669 1 OCl5H7C10 AB5C7D10 -35.57 0.99 -9.89 -0.82 0
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7658 73670 2 ClN2H4C7 AB2C4D7 132.16 0.17 -9.54 -1.87 0
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7659 73671 1 ClON3C15H20 ABC3D15E20 -9.55 3.63 -9.57 -0.36 0
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7660 73676 2 O5H6C9 A5B6C9 -315.82 6.14 -9.7 -2.14 0
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7661 73677 1 O9H14C19 A9B14C19 -297.12 10.17 -9.65 -1.33 0
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7662 73678 1 O7C19H22 A7B19C22 -96.1 6.75 -7.23 -0.37 0
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7663 73679 1 N2O3C12H20 A2B3C12D20 -101.92 3.4 -8.98 -0.73 0
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7664 73680 1 SP2N7O14C19H25 AB2C7D14E19F25 -640.99 2.91 -9.39 -1.24 0
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7665 73681 2 BrO2H3C4 AB2C3D4 -141.69 4.75 -11.17 -1.47 0
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7666 73683 1 ClO5H7C8 AB5C7D8 -197.18 3.2 -11.13 -0.39 0
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7667 73684 1 N2O2C21H28 A2B2C21D28 -67.13 0.64 -8.05 -0.12 0
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7668 73685 1 O7H12C20 A7B12C20 -193.05 6.06 -8.98 -0.98 0
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7669 73686 2 O8C30H47 A8B30C47 -673.88 18.09 -8.62 -0.67 0
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7670 73687 1 O2C15H22 A2B15C22 -82.4 5.11 -9.71 -0.31 0
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7671 73690 1 OC9H12 AB9C12 -30.13 1.52 -8.57 0.34 0
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7672 73692 1 OSN2C8H10 ABC2D8E10 0.88 1.92 -8.78 -0.38 0
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7673 73695 1 OSiC20H20 ABC20D20 -19.79 2.25 -9.22 0.02 0
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7674 73697 4 HNC3 ABC3 190.46 1.15 -10.24 -3.23 0
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7675 73699 1 S2N4C9H12 A2B4C9D12 46.68 0.32 -8.45 -0.4 0
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7676 73701 1 OSN2C7H8 ABC2D7E8 -3.83 2.32 -8.67 -0.43 0
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7677 73708 1 NO3C7H13 AB3C7D13 -134.13 2.2 -8.95 0.51 0
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7678 73711 1 ClO3H5C10 AB3C5D10 -62.79 8.01 -9.49 -2.04 0
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7679 73713 1 OC9H18 AB9C18 -80.84 3.07 -9.72 0.88 0
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7680 73714 2 C3H5 A3B5 -4.74 0.98 -9.59 1.5 0
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7681 73717 6 OC5H8 AB5C8 -317.4 1.79 -10.62 -1.34 0
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7682 73719 3 O2C7H10 A2B7C10 -278.26 3.36 -10.63 -1.35 0
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7683 73720 1 OSiC9H14 ABC9D14 -79.73 0.16 -9.06 0.24 0
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7684 73721 1 NH9C14 AB9C14 83.31 3.67 -9.15 -0.69 0
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7685 73728 1 PC20H20 AB20C20 72.06 8.02 0.0 0.0 1
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7686 73731 1 BrPO2C22H22 ABC2D22E22 -2.75 35.25 -5.57 -1.92 0
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7687 73732 1 PO2C22H22 AB2C22D22 -18.71 6.66 0.0 0.0 1
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7688 73733 1 ClPC15H32 ABC15D32 -87.5 13.98 -7.88 -0.07 0
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7689 73734 1 PC15H32 AB15C32 -40.32 3.43 0.0 0.0 1
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7690 73737 1 N2C5H8 A2B5C8 27.93 4.93 -9.86 1.24 0
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7691 73738 1 ON2C5H8 AB2C5D8 -7.29 2.91 -9.72 0.89 0
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7692 73742 1 N2H8C9 A2B8C9 47.02 2.47 -8.59 -0.55 0
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7693 73743 1 BrNH6C9 ABC6D9 53.68 2.92 -9.39 -1.1 0
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7694 73749 1 ClN5O7C22H24 AB5C7D22E24 -158.48 13.18 -8.6 -1.35 0
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7695 73752 1 SF2H6C7 AB2C6D7 -78.34 3.56 -9.47 -0.75 0
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7696 73753 1 NOF3H6C7 ABC3D6E7 -185.36 3.78 -8.96 -0.08 0
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7697 73754 1 NOF3H6C7 ABC3D6E7 -182.04 2.95 -8.89 -0.42 0
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7698 73755 1 OF5H5C13 AB5C5D13 -199.37 3.55 -10.27 -1.5 0
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7699 73757 2 O2H7C10 A2B7C10 -76.02 0.38 -9.49 -1.57 0
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7700 73758 1 N2O5H8C9 A2B5C8D9 -117.25 5.8 -10.23 -1.92 0
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7701 73760 1 O3C9H16 A3B9C16 -154.55 3.25 -9.71 0.27 0
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7702 73763 1 O2C9H16 A2B9C16 -112.7 1.38 -10.25 0.12 0
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7703 73766 1 FOC2H3 ABC2D3 -79.13 1.37 -10.6 -0.11 0
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7704 73771 1 SC7H10 AB7C10 9.53 0.99 -8.98 0.04 0
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7705 73772 1 O2C11H20 A2B11C20 -132.62 2.21 -10.57 0.96 0
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7706 73781 1 NOC11H11 ABC11D11 4.44 1.53 -8.5 -0.6 0
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7707 73788 1 SiC2Cl3H5 AB2C3D5 -105.71 3.31 -10.01 -0.3 0
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7708 73790 1 O4C9H14 A4B9C14 -166.99 3.62 -10.93 0.22 0
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7709 73791 1 O5C12H26 A5B12C26 -236.08 3.44 -9.82 1.51 0
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7710 73792 1 BrHF4C6 ABC4D6 -150.73 1.09 -10.29 -1.29 0
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7711 73793 2 BrF2C3 AB2C3 -142.13 0.54 -10.37 -1.54 0
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7712 73794 1 BrHF4C6 ABC4D6 -149.64 0.72 -10.48 -1.36 0
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7713 73796 1 C31H64 A31B64 -152.52 0.05 -10.26 4.06 0
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7714 73798 2 SC16H33 AB16C33 -149.95 2.09 -8.85 -0.81 0
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7715 73803 1 ClN3O4C17H18 AB3C4D17E18 -95.76 5.91 -7.96 -2.15 0
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7716 73804 1 N3O4C17H17 A3B4C17D17 -76.31 5.59 -7.73 -2.1 0
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7717 73805 1 ON3H9C11 AB3C9D11 74.01 1.19 -9.88 -0.4 0
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7718 73807 1 BrON2H9C12 ABC2D9E12 25.45 1.78 -8.77 -0.77 0
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7719 73808 1 NO2C6H11 AB2C6D11 -108.95 3.34 -10.43 0.21 0
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7720 73809 1 NO2C7H13 AB2C7D13 -114.84 3.33 -10.39 0.25 0
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7721 73810 1 NO2C8H15 AB2C8D15 -118.88 3.38 -10.37 0.2 0
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7722 73811 1 NOC10H21 ABC10D21 -87.65 4.45 -9.26 1.39 0
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7723 73812 1 NO2C12H13 AB2C12D13 -62.04 2.8 -10.18 -1.36 0
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7724 73813 2 C4H7 A4B7 -15.56 0.51 -9.01 1.67 0
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7725 73814 1 ON2C18H20 AB2C18D20 27.52 2.75 -7.96 0.12 0
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7726 73815 1 ClNO4C19H22 ABC4D19E22 -165.77 3.72 -9.73 -0.14 0