List Systems

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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
66501 46504695 1 BrNOH18C19 ABCD18E19 7.12 0.67 -8.95 -1.01 0
66502 46504696 1 BrNOH16C18 ABCD16E18 12.02 0.52 -8.96 -1.02 0
66503 46504697 1 BrClNOH9C15 ABCDE9F15 20.76 1.24 -9.02 -1.33 0
66504 46504698 1 BrNO2H14C17 ABC2D14E17 -18.03 3.06 -8.7 -1.1 0
66505 46504699 1 BrNO2H14C17 ABC2D14E17 -16.43 1.83 -8.85 -1.0 0
66506 46504703 1 BrNO3H14C17 ABC3D14E17 -46.89 2.07 -8.41 -1.28 0
66507 46504704 1 NOBr2H9C15 ABC2D9E15 32.68 2.26 -9.09 -1.43 0
66508 46504705 1 BrClNOH9C15 ABCDE9F15 20.5 2.16 -9.06 -1.43 0
66509 46504708 1 N3O4C22H23 A3B4C22D23 -117.1 2.87 -8.61 -0.56 0
66510 46504710 1 BrSN2F3O4H18C20 ABC2D3E4F18G20 -280.4 10.68 -9.18 -1.03 0
66511 46504711 1 BrClSN3O4C23H25 ABCD3E4F23G25 -116.0 9.69 -8.74 -0.82 0
66512 46504712 1 BrSN2O6C22H23 ABC2D6E22F23 -187.58 8.17 -8.59 -0.85 0
66513 46504713 1 BrSN2O4C21H27 ABC2D4E21F27 -155.99 10.07 -9.08 -0.9 0
66514 46504714 1 BrSN2O4C23H25 ABC2D4E23F25 -135.5 12.35 -8.68 -0.94 0
66515 46504716 1 BrClSN2O4C21H22 ABCD2E4F21G22 -136.39 10.16 -9.12 -0.96 0
66516 46504717 1 BrSN2O4C20H27 ABC2D4E20F27 -169.29 6.24 -8.97 -0.78 0
66517 46504719 1 BrSN2O4C21H23 ABC2D4E21F23 -121.77 6.86 -8.84 -0.83 0
66518 46504720 1 BrSN2O4C21H23 ABC2D4E21F23 -130.13 9.71 -8.7 -0.95 0
66519 46504727 1 BrClSN3O4C23H25 ABCD3E4F23G25 -122.65 9.17 -8.54 -0.91 0
66520 46504728 1 BrSN3O4C25H30 ABC3D4E25F30 -130.75 7.42 -8.44 -0.85 0
66521 46504731 1 BrSN2O4C16H21 ABC2D4E16F21 -158.03 6.41 -8.99 -0.81 0
66522 46504732 1 SBr2N2O4C20H20 AB2C2D4E20F20 -128.69 8.27 -8.83 -0.87 0
66523 46504733 1 BrClSN2O4C20H20 ABCD2E4F20G20 -132.68 12.07 -8.73 -0.98 0
66524 46504734 1 BrSN2O4C18H25 ABC2D4E18F25 -168.25 7.74 -8.98 -0.8 0
66525 46504735 1 BrSN2O4C24H25 ABC2D4E24F25 -106.12 6.97 -9.04 -0.78 0
66526 46504736 1 BrSN3O5C25H28 ABC3D5E25F28 -157.83 11.62 -8.62 -0.91 0
66527 46504737 1 BrSN3O4C24H28 ABC3D4E24F28 -115.35 11.58 -8.93 -0.92 0
66528 46504738 1 BrSN2O5C21H21 ABC2D5E21F21 -158.93 13.72 -8.88 -1.03 0
66529 46504739 1 BrSN4O4C22H25 ABC4D4E22F25 -106.8 11.35 -8.46 -1.03 0
66530 46504744 1 BrSN3O4C25H30 ABC3D4E25F30 -129.03 9.25 -8.91 -0.9 0
66531 46504746 1 BrSN2F3O4H18C20 ABC2D3E4F18G20 -299.71 7.19 -8.95 -0.81 0
66532 46504748 1 BrClSN2O5C20H20 ABCD2E5F20G20 -165.51 3.53 -8.6 -1.09 0
66533 46504750 1 BrSN2O5C18H25 ABC2D5E18F25 -200.74 7.75 -9.02 -0.84 0
66534 46504751 1 BrSN3O5C24H28 ABC3D5E24F28 -148.09 5.95 -8.18 -0.79 0
66535 46504752 1 BrSN2O5C21H23 ABC2D5E21F23 -164.0 9.97 -8.47 -0.82 0
66536 46504756 1 SBr2N2O4C20H20 AB2C2D4E20F20 -124.19 13.19 -8.96 -1.08 0
66537 46504757 1 BrFSN3O4C23H25 ABCD3E4F23G25 -156.03 7.98 -9.02 -0.82 0
66538 46504758 1 BrSN2O4C21H31 ABC2D4E21F31 -182.35 6.44 -8.98 -0.79 0
66539 46504759 1 BrClFSN2O4H17C19 ABCDE2F4G17H19 -172.33 11.31 -8.87 -1.02 0
66540 46504760 1 BrSN2F3O5H18C20 ABC2D3E5F18G20 -322.88 3.66 -9.24 -1.18 0
66541 46504761 1 BrSN3O4C25H30 ABC3D4E25F30 -128.52 6.45 -8.38 -0.81 0
66542 46504762 1 BrSN3O4C24H30 ABC3D4E24F30 -139.01 9.31 -7.58 -1.0 0
66543 46504763 1 BrSN2O4C19H25 ABC2D4E19F25 -161.66 5.68 -8.97 -0.78 0
66544 46504764 1 BrSN2O4C20H21 ABC2D4E20F21 -128.76 7.79 -8.78 -0.88 0
66545 46504765 1 BrClSN2O4H18C19 ABCD2E4F18G19 -131.58 14.79 -8.71 -1.18 0
66546 46504767 1 BrSN2O5C17H21 ABC2D5E17F21 -180.97 8.23 -9.06 -0.82 0
66547 46504770 1 BrSN2O4C17H23 ABC2D4E17F23 -162.7 6.64 -8.98 -0.79 0
66548 46504772 1 BrSN3O4C24H30 ABC3D4E24F30 -125.87 12.79 -7.86 -0.91 0
66549 46504777 1 BrClSN2O4C20H20 ABCD2E4F20G20 -131.46 14.29 -9.13 -1.11 0
66550 46504780 1 BrSN2O5C19H21 ABC2D5E19F21 -145.85 8.43 -8.05 -0.73 0
66551 46504783 1 BrClSN3O5H21C26 ABCD3E5F21G26 -130.48 10.06 -8.47 -1.58 0
66552 46504785 1 BrSN2O3C19H21 ABC2D3E19F21 -82.68 8.74 -8.8 -0.81 0
66553 46504786 1 BrSN2O3C20H21 ABC2D3E20F21 -52.79 4.36 -8.99 -0.98 0
66554 46504787 1 BrClSN2F3O3H15C18 ABCD2E3F3G15H18 -246.63 10.19 -8.84 -1.14 0
66555 46504788 1 BrSN2O3C19H21 ABC2D3E19F21 -69.7 9.33 -9.02 -0.78 0
66556 46504789 1 BrSN2O3C15H21 ABC2D3E15F21 -118.84 9.59 -8.96 -0.71 0
66557 46504791 1 BrClSN2O3C19H20 ABCD2E3F19G20 -87.08 10.13 -9.1 -0.91 0
66558 46504793 1 BrSN2O3C16H21 ABC2D3E16F21 -109.04 9.33 -8.96 -0.74 0
66559 46504795 1 BrSN2O5C21H25 ABC2D5E21F25 -147.64 9.86 -8.12 -0.77 0
66560 46504800 1 BrSN3O5C18H24 ABC3D5E18F24 -192.64 9.73 -8.61 -0.86 0
66561 46504803 1 BrSN2O3C17H23 ABC2D3E17F23 -113.32 7.6 -8.48 -0.64 0
66562 46504806 1 BrSN2O5C19H19 ABC2D5E19F19 -163.6 10.09 -8.78 -0.96 0
66563 46504809 1 BrSN3O3C21H24 ABC3D3E21F24 -61.1 10.32 -8.06 -0.83 0
66564 46504810 1 FSBr2N2O3H15C17 ABC2D2E3F15G17 -117.71 9.47 -8.66 -0.97 0
66565 46504812 1 BrSN3O3C23H28 ABC3D3E23F28 -87.58 8.38 -8.53 -0.75 0
66566 46504815 1 BrSN3O3C23H28 ABC3D3E23F28 -87.37 8.21 -8.52 -0.76 0
66567 46504816 1 BrSN2O3C14H19 ABC2D3E14F19 -116.98 8.16 -8.85 -0.72 0
66568 46504818 1 BrSN2O5C19H21 ABC2D5E19F21 -148.54 11.36 -8.28 -1.0 0
66569 46504819 1 BrSN2O5C15H21 ABC2D5E15F21 -189.21 8.19 -8.8 -0.86 0
66570 46504820 1 BrSN3O4C18H26 ABC3D4E18F26 -140.26 4.16 -8.89 -1.04 0
66571 46504821 1 SBr2N2O3C18H18 AB2C2D3E18F18 -87.58 9.1 -8.42 -0.82 0
66572 46504823 1 BrSN3O3C17H26 ABC3D3E17F26 -99.53 9.65 -8.51 -0.48 0
66573 46504826 1 BrSN2O3C17H25 ABC2D3E17F25 -119.5 9.35 -8.95 -0.69 0
66574 46504830 1 BrSN2O4C14H19 ABC2D4E14F19 -138.91 10.29 -9.1 -0.87 0
66575 46504835 1 BrSN2O3C18H25 ABC2D3E18F25 -117.59 10.94 -8.99 -0.78 0