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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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412729 135085643 1 BrZnO2C12H21 ABC2D12E21 48.27 3.37 -6.14 -3.52 0
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412730 135085644 2 OC6H11 AB6C11 -89.44 0.18 -9.37 0.21 0
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412731 135085645 1 NOC8H15 ABC8D15 -32.31 2.13 -9.02 1.35 0
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412732 135085646 2 O2C5H7 A2B5C7 -147.31 2.34 -10.17 -0.42 0
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412733 135085647 1 ClF3H10C14 AB3C10D14 -129.85 4.25 -9.84 -0.74 0
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412734 135085648 1 BO3C11H15 AB3C11D15 -172.39 2.92 -8.89 -0.26 0
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412736 135085650 1 NC8H13 AB8C13 10.0 1.81 -9.52 0.43 0
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412737 135085651 1 BrS2O3C11H13 AB2C3D11E13 -111.78 4.33 -8.88 -1.22 0
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412738 135085652 1 NO4C29H31 AB4C29D31 -94.8 3.86 -9.26 0.04 0
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412739 135085653 1 NOPC24H26 ABCD24E26 -26.44 1.9 -9.29 -0.08 0
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412740 135085654 1 FNH10C11 ABC10D11 13.73 3.22 -9.93 -0.39 0
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412741 135085655 1 NC12H17 AB12C17 33.46 2.03 -9.36 0.38 0
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412742 135085656 2 OC7H14 AB7C14 -118.28 2.77 -10.03 1.3 0
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412743 135085657 1 N2C13H20 A2B13C20 36.08 3.0 -9.07 0.35 0
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412744 135085658 1 NSO3C10H13 ABC3D10E13 -55.24 4.32 -9.38 -1.28 0
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412745 135085659 1 OC13H16 AB13C16 -22.32 3.35 -9.74 -0.33 0
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412746 135085660 1 ClN2O2C11H13 AB2C2D11E13 -55.67 0.9 -9.14 -0.63 0
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412747 135085661 1 N2O3C6H12 A2B3C6D12 -115.99 4.04 -9.34 0.35 0
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412748 135085665 2 OC8H10 AB8C10 -56.92 4.47 -9.93 -0.68 0
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412749 135085666 1 F2H10C11 A2B10C11 -80.95 1.59 -9.08 -0.31 0
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412750 135085667 1 BrZnO2H9C10 ABC2D9E10 51.16 4.75 -9.41 -1.36 0
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412751 135085668 1 BrClNOC12H17 ABCDE12F17 -78.67 7.2 -9.41 -0.11 0
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412752 135085669 1 OF3H11C12 AB3C11D12 -179.43 3.0 -10.16 -0.81 0
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412753 135085670 1 SO2C14H24 AB2C14D24 -87.8 1.62 -8.21 0.51 0
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412754 135085671 1 SN2O3C7H16 AB2C3D7E16 -126.19 6.4 -8.74 0.05 0
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412755 135085672 1 BBrO2C8H14 ABC2D8E14 -154.74 3.49 -9.51 0.24 0
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412756 135085673 1 O3C11H16 A3B11C16 -145.31 4.06 -10.22 -0.25 0
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412757 135085674 1 O2C13H26 A2B13C26 -134.24 4.16 -9.68 1.23 0
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412758 135085675 1 NOSiC15H25 ABCD15E25 -74.18 1.93 -8.88 0.12 0
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412759 135085676 1 IF4H5C9 AB4C5D9 -149.66 2.59 -9.82 -1.81 0
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412760 135085677 1 N3C13H17 A3B13C17 65.14 3.19 -8.71 -0.28 0
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412761 135085678 1 ClFOC13H14 ABCD13E14 -76.59 3.22 -9.32 -0.77 0
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412762 135085680 1 O5C6H12 A5B6C12 -238.01 1.89 -10.49 0.94 0
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412763 135085682 1 IZnC10H19 ABC10D19 71.45 12.61 -5.4 -3.32 0
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412764 135085685 1 O2C11H18 A2B11C18 -93.74 0.86 -9.83 0.96 0
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412765 135085692 1 OF2H14C15 AB2C14D15 -58.89 2.47 -8.76 0.19 0
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412766 135085693 1 LiOC9H9 ABC9D9 14.89 6.97 -7.55 1.03 0
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412767 135085694 1 NO2C12H13 AB2C12D13 -41.0 3.03 -9.68 -0.6 0
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412768 135085695 1 O3C11H12 A3B11C12 -86.35 1.23 -8.45 -0.2 -1
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412769 135085696 1 CoO6H7C8 AB6C7D8 -175.98 7.89 -10.39 -5.2 0
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412770 135085697 1 SeO2N3C9H9 AB2C3D9E9 26.89 4.52 -9.04 -1.38 0
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412771 135085698 1 OSiC15H30 ABC15D30 -104.46 1.44 -8.74 0.54 0
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412772 135085699 1 NSO2C8H15 ABC2D8E15 -112.47 2.48 -8.84 0.21 0
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412773 135085700 1 IOC14H15 ABC14D15 -1.89 1.03 -8.86 -0.8 0
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412774 135085701 1 O3C8H14 A3B8C14 -129.82 0.23 -10.21 0.09 0
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412775 135085702 1 NC8H15 AB8C15 -1.28 1.37 -8.5 1.31 0
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412776 135085703 1 IZnC8H15 ABC8D15 -16.1 1.54 -9.07 -0.7 0
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412777 135085704 1 BrOZnH5C9 ABCD5E9 79.82 4.08 -9.95 -1.54 0
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412778 135085705 1 BrFNOH11C12 ABCDE11F12 -17.16 4.96 -9.51 -0.46 0
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412779 135085706 1 ION2C13H13 ABC2D13E13 22.78 2.51 -9.48 -0.97 0
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412780 135085707 1 SO2H12C14 AB2C12D14 22.0 3.6 -8.8 -1.4 0
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412781 135085708 1 BrMgH9C10 ABC9D10 76.5 4.11 -9.17 -0.81 0
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412782 135085709 1 ZnC16H26 AB16C26 27.29 1.54 -9.1 -0.98 0
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412783 135085712 1 LiNO2C9H16 ABC2D9E16 -109.91 8.53 -7.53 1.5 0
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412784 135085713 1 LiOH11C14 ABC11D14 44.13 6.92 -7.68 0.06 0
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412785 135085714 1 FO5C6H11 AB5C6D11 -283.16 1.61 -10.62 0.78 0
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412786 135085715 1 OC13H14 AB13C14 39.22 1.62 -8.52 0.09 0
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412787 135085716 1 O4C11H20 A4B11C20 -218.32 2.01 -10.57 0.68 0
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412788 135085717 1 OSe2H4C6 AB2C4D6 -5.52 3.14 -8.49 -1.02 0
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412789 135085718 1 NSO4C9H13 ABC4D9E13 -157.11 5.2 -8.41 -0.6 0
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412790 135085719 1 OS2H12C14 AB2C12D14 62.99 1.98 -8.85 -0.74 0
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412791 135085720 3 FNH2C3 ABC2D3 -71.04 3.04 -9.82 -1.34 0
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412792 135085721 1 NSO2C10H13 ABC2D10E13 -64.98 6.44 -9.12 0.08 0
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412793 135085722 1 NO2H9C11 AB2C9D11 -11.75 4.0 -10.04 -1.04 0
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412794 135085723 1 BCl2N2C5H9 AB2C2D5E9 -60.48 8.68 -9.46 -0.19 0
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412795 135085724 1 BrSiO2C10H21 ABC2D10E21 -168.48 2.07 -8.94 -0.45 0
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412796 135085725 1 NOC14H27 ABC14D27 -85.22 0.96 -9.47 1.29 0
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412797 135085726 1 NOC8H9 ABC8D9 5.26 2.34 -9.38 -0.34 0
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412798 135085727 1 BrO4C12H19 AB4C12D19 -180.89 3.33 -10.42 -0.43 0
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412799 135085728 1 NO2Cl3C6H6 AB2C3D6E6 -59.78 3.33 -10.24 -0.84 0
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412800 135085729 1 BrClOC13H14 ABCD13E14 0.63 1.11 -9.55 -0.38 0
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412801 135085730 1 BrNO2C11H14 ABC2D11E14 -37.34 3.06 -9.65 -0.88 0
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412802 135085731 1 O2C13H18 A2B13C18 -90.26 5.08 -9.86 -0.05 0
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412803 135085732 1 SO2C12H14 AB2C12D14 -3.65 1.56 -8.04 -0.23 0
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412804 135085733 1 O2C15H18 A2B15C18 -66.37 1.08 -9.74 -0.35 0