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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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430681 135170747 1 NO3C11H17 AB3C11D17 -133.78 4.3 -9.74 -0.48 0
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430682 135170748 1 NO4C11H17 AB4C11D17 -179.51 5.44 -9.74 -0.7 0
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430683 135170749 1 NO2C9H15 AB2C9D15 -92.52 3.7 -9.74 -0.4 0
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430684 135170750 1 NO4C9H13 AB4C9D13 -163.79 1.65 -10.07 -0.98 0
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430685 135170751 1 NO3C11H17 AB3C11D17 -136.5 4.08 -9.76 -0.52 0
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430686 135170752 1 O2N3H23C24 A2B3C23D24 51.51 4.48 -8.77 -0.72 0
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430687 135170753 1 NO3C12H19 AB3C12D19 -139.03 3.22 -9.74 -0.5 0
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430688 135170754 1 NSO3C7H11 ABC3D7E11 -71.77 1.73 -8.78 -0.88 0
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430689 135170755 1 NO3C11H17 AB3C11D17 -131.89 2.44 -9.83 -0.52 0
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430690 135170756 1 O2N3C23H25 A2B3C23D25 -21.3 2.59 -8.85 -0.74 0
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430691 135170757 1 NO2C7H11 AB2C7D11 -80.67 3.6 -9.78 -0.45 0
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430692 135170758 1 NO4C9H13 AB4C9D13 -154.83 2.62 -9.99 -0.91 0
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430693 135170759 1 OSN2C25H30 ABC2D25E30 9.89 3.25 -8.86 -0.52 0
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430694 135170760 1 NO4C13H13 AB4C13D13 -117.25 4.29 -9.69 -1.23 0
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430695 135170761 1 BrNO3C4H4 ABC3D4E4 -64.64 1.85 -10.42 -1.33 0
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430696 135170762 1 N2O2C27H28 A2B2C27D28 -7.96 4.94 -8.69 -0.62 0
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430697 135170763 1 O2N4C23H30 A2B4C23D30 -7.72 6.7 -8.52 -0.32 0
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430698 135170764 1 ClSN4O5C19H21 ABC4D5E19F21 -138.71 3.71 -8.88 -1.17 0
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430699 135170765 1 FO2N4C27H27 AB2C4D27E27 -18.62 4.78 -8.98 -0.93 0
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430700 135170766 1 OSN4H10C16 ABC4D10E16 84.94 3.19 -9.01 -1.47 0
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430701 135170767 1 ClSN3O4C18H20 ABC3D4E18F20 -101.47 4.37 -8.53 -0.78 1
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430702 135170768 1 N4O4C38H51 A4B4C38D51 -76.04 3.51 0.0 0.0 1
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430703 135170769 1 N4O4C39H51 A4B4C39D51 -57.17 1.11 0.0 0.0 0
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430704 135170770 1 ClSN3O4H22C23 ABC3D4E22F23 -71.82 4.19 -8.59 -0.77 0
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430705 135170771 1 ClSN3O5C19H22 ABC3D5E19F22 -139.93 4.51 -8.45 -0.76 0
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430706 135170772 1 ON3C21H27 AB3C21D27 -1.33 3.63 -8.78 -0.45 0
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430707 135170773 1 ON3C21H27 AB3C21D27 0.56 3.34 -8.88 -0.42 0
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430708 135170774 1 ClSN4O5C19H23 ABC4D5E19F23 -140.37 2.64 -8.7 -0.89 0
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430709 135170775 1 O4N6H26C39 A4B6C26D39 53.89 4.0 -9.1 -1.29 0
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430710 135170776 2 O2N4H19C25 A2B4C19D25 92.23 5.15 -9.11 -1.35 0
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430711 135170778 1 N3O3C22H31 A3B3C22D31 -136.28 1.94 -8.73 -0.3 0
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430712 135170779 2 ON2C12H15 AB2C12D15 16.58 4.48 -8.8 -0.53 0
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430713 135170780 2 ON2C12H15 AB2C12D15 16.52 2.61 -8.79 -0.25 0
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430714 135170781 1 O2N5C20H29 A2B5C20D29 -21.0 3.7 -9.04 -0.62 0
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430715 135170782 1 O2N5C23H29 A2B5C23D29 26.85 2.85 -9.28 -0.7 0
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430716 135170783 1 FON3C27H32 ABC3D27E32 -50.71 5.98 -8.72 -0.31 0
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430717 135170784 1 ON3C17H23 AB3C17D23 -23.1 1.98 -8.73 -0.42 0
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430718 135170785 1 O2N3C25H31 A2B3C25D31 -32.07 4.2 -8.33 -0.22 0
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430719 135170786 1 O2N3C25H29 A2B3C25D29 -20.35 4.01 -8.38 -0.27 0
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430720 135170787 1 ON4C23H28 AB4C23D28 14.46 5.32 -9.06 -0.65 0
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430721 135170788 1 ON4C23H26 AB4C23D26 32.1 5.54 -8.62 -0.5 0
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430722 135170789 1 ON5C23H29 AB5C23D29 16.19 3.09 -8.77 -0.47 0
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430723 135170790 1 FON3C26H30 ABC3D26E30 -45.57 2.67 -8.74 -0.42 0
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430724 135170791 1 ON5C23H27 AB5C23D27 33.08 3.21 -8.62 -0.56 0
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430725 135170792 2 NC5H6 AB5C6 56.22 1.85 -9.07 -0.32 0
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430726 135170793 1 ON4C24H30 AB4C24D30 15.37 3.27 -8.93 -0.72 0
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430727 135170794 1 FON3C24H26 ABC3D24E26 -27.22 2.3 -8.6 -0.42 0
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430728 135170795 1 ON3C25H31 AB3C25D31 1.06 4.29 -8.46 -0.35 0
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430729 135170796 1 FON3C24H28 ABC3D24E28 -43.25 4.44 -8.71 -0.36 0
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430730 135170797 1 ON4C23H28 AB4C23D28 16.97 4.35 -9.13 -0.63 0