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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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397748 135030666 1 O2H22C23 A2B22C23 -5.68 3.56 -9.03 0.08 0
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397749 135030667 1 O2H22C23 A2B22C23 -4.24 3.22 -9.05 -0.03 0
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397750 135030668 1 O3H22C23 A3B22C23 -47.84 1.84 -9.21 0.01 0
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397751 135030670 1 OC19H20 AB19C20 -2.27 3.28 -9.3 -0.44 0
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397752 135030671 1 OH20C21 AB20C21 13.1 3.01 -9.1 -0.74 0
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397753 135030673 1 NF2O3C22H23 AB2C3D22E23 -182.13 1.24 -9.18 -0.39 0
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397754 135030674 1 ClF2O2N3H16C17 AB2C2D3E16F17 -141.52 3.83 -9.23 -1.08 0
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397755 135030678 1 NOF2C19H27 ABC2D19E27 -158.68 2.83 -9.17 0.52 0
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397756 135030688 1 ClNOH12C16 ABCD12E16 29.2 1.32 -8.62 -0.83 0
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397757 135030690 1 PO2H23C25 AB2C23D25 -4.17 6.79 -8.23 -0.77 0
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397758 135030691 1 BrNO8C22H26 ABC8D22E26 -335.83 4.0 -8.88 -0.58 0
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397759 135030692 2 BrNO4C15H15 ABC4D15E15 -289.85 4.09 -8.37 -0.44 0
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397760 135030693 1 BrNO8C22H26 ABC8D22E26 -335.22 6.86 -8.8 -0.64 0
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397761 135030695 1 SiO2C13H28 AB2C13D28 -164.6 2.95 -8.89 1.24 0
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397762 135030696 1 O6H18C19 A6B18C19 -194.71 8.5 -8.55 -1.66 0
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397763 135030698 1 O2F3S3C12H15 A2B3C3D12E15 -256.47 5.46 -9.08 -0.89 0
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397764 135030701 1 O2F3S3C14H19 A2B3C3D14E19 -258.81 4.56 -9.22 -0.9 0
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397765 135030702 1 O2F3S3C14H19 A2B3C3D14E19 -265.97 3.95 -9.02 -0.97 0
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397766 135030704 1 ClO2F3S3C17H18 AB2C3D3E17F18 -242.41 5.14 -9.11 -0.98 0
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397767 135030705 1 NO9C31H45 AB9C31D45 -374.49 5.27 -9.37 -0.39 0
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397768 135030706 1 BrNO9C31H44 ABC9D31E44 -373.98 9.82 -9.46 -0.48 0
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397769 135030707 1 O2H13C14 A2B13C14 -23.64 2.54 0.0 0.0 0
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397770 135030708 1 NO2C6H12 AB2C6D12 -74.52 1.88 0.0 0.0 0
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397771 135030710 1 O2C19H32 A2B19C32 -114.47 3.11 -8.38 0.44 0
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397772 135030712 1 O6C17H20 A6B17C20 -229.18 3.6 -9.44 0.08 0
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397773 135030713 1 SBr2O2H12C17 AB2C2D12E17 -18.76 1.96 -8.92 -1.42 0
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397774 135030714 1 BrNSO4H12C17 ABCD4E12F17 -25.65 3.88 -9.06 -1.54 0
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397775 135030717 1 SO3H16C17 AB3C16D17 -57.08 2.13 -8.83 -0.67 0
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397776 135030718 1 BrNH14C17 ABC14D17 61.98 2.74 -9.08 -0.95 0
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397777 135030719 1 O2C21H24 A2B21C24 -58.46 1.62 -9.24 0.3 0
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397778 135030721 1 NO4C15H15 AB4C15D15 -119.99 5.47 -9.17 -0.93 0
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397779 135030722 1 NO6C17H17 AB6C17D17 -213.51 4.02 -9.53 -1.0 0
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397780 135030723 2 BrO2H11C17 AB2C11D17 4.5 2.52 -9.43 -1.13 0
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397781 135030724 1 O2S2C17H32 A2B2C17D32 -135.86 2.48 -8.48 0.46 0
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397782 135030725 1 BrO2H11C13 AB2C11D13 -45.9 1.08 -9.01 -0.22 0
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397783 135030726 1 NO5C17H23 AB5C17D23 -236.14 3.34 -10.2 -0.08 0
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397784 135030727 1 NO3C9H17 AB3C9D17 -159.92 1.9 -9.61 0.85 0
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397785 135030728 1 NO3H15C17 AB3C15D17 -54.31 3.84 -8.99 -0.63 0
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397786 135030729 1 ClNO2H12C16 ABC2D12E16 -23.59 2.97 -9.62 -0.79 0
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397787 135030730 1 SO5N6C15H22 AB5C6D15E22 -149.97 7.51 -9.06 -0.56 1
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397788 135030731 1 SO5N6C15H23 AB5C6D15E23 -161.45 5.8 0.0 0.0 0
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397789 135030732 1 BNO5C17H20 ABC5D17E20 -115.75 3.49 -8.31 -0.38 0
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397790 135030733 1 BrN2O2H11C14 AB2C2D11E14 -31.44 6.19 -9.16 -1.12 0
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397791 135030734 1 SF3O5C17H17 AB3C5D17E17 -324.56 2.57 -9.37 -1.36 0
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397792 135030735 2 O2C13H15 A2B13C15 -137.59 2.99 -9.42 -0.03 0
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397793 135030736 2 O2C13H15 A2B13C15 -124.17 0.93 -9.24 -0.68 0
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397794 135030738 1 O6C39H44 A6B39C44 -144.92 2.66 -9.22 0.26 1
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397795 135030739 1 BrO6C39H44 AB6C39D44 -128.1 4.71 0.0 0.0 0
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397796 135030740 1 ON2C19H20 AB2C19D20 19.86 3.59 -8.75 -0.01 0
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397797 135030741 1 ON2C12H14 AB2C12D14 -3.02 3.62 -8.7 -0.14 1
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397798 135030742 1 O18H37C40 A18B37C40 -638.49 5.35 0.0 0.0 0
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397799 135030743 1 BrNH24C33 ABC24D33 150.84 1.26 -8.1 -0.16 0
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397800 135030744 1 ClNH24C33 ABC24D33 137.43 3.69 -8.32 -0.25 0
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397801 135030746 1 NOH27C34 ABC27D34 132.53 0.64 -8.14 -0.06 0
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397802 135030747 1 BrNH26C34 ABC26D34 164.51 3.44 -8.25 -0.08 0
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397803 135030749 1 BrNH26C34 ABC26D34 163.96 3.64 -8.16 -0.07 0
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397804 135030753 1 BrNOH18C23 ABCD18E23 64.02 2.35 -8.7 -0.62 0
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397805 135030755 1 O7C19H28 A7B19C28 -285.71 4.01 -9.4 -0.02 0
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397806 135030757 1 O6C19H26 A6B19C26 -233.23 3.91 -8.38 -0.06 0
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397807 135030758 1 O6C21H26 A6B21C26 -213.43 6.02 -8.18 -0.29 0
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397808 135030763 2 O3C9H10 A3B9C10 -221.39 4.85 -9.74 -0.02 0
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397809 135030764 1 O3Cl6C11H12 A3B6C11D12 -144.14 4.35 -10.48 -0.93 0
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397810 135030772 1 O2N3H15C16 A2B3C15D16 5.2 5.54 -8.5 -0.28 0
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397811 135030773 1 FON3H12C15 ABC3D12E15 -2.31 4.44 -9.04 -0.62 0
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397812 135030774 1 N3O3H17C18 A3B3C17D18 -48.96 3.1 -9.2 -0.81 0
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397813 135030775 1 O2N3H15C16 A2B3C15D16 3.41 4.91 -8.79 -0.4 0
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397814 135030776 1 ON4H12C16 AB4C12D16 76.76 2.44 -9.14 -1.16 0
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397815 135030777 1 N2O5C13H18 A2B5C13D18 -121.52 3.35 -8.53 -0.65 0
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397816 135030784 2 OC10H12 AB10C12 -47.29 3.44 -8.62 -0.46 0
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397817 135030785 1 ClOC21H23 ABC21D23 -17.3 2.6 -9.27 -0.18 0
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397818 135030786 1 O2C21H22 A2B21C22 -27.38 2.82 -8.86 -0.16 0
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397819 135030787 1 ClOC19H21 ABC19D21 -20.14 3.85 -9.36 -0.08 0
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397820 135030788 1 OC26H26 AB26C26 28.69 3.02 -8.75 -0.48 0
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397821 135030793 1 ClO5N6C19H27 AB5C6D19E27 -190.06 7.78 -9.45 -1.08 0
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397824 135030798 1 NOH21C24 ABC21D24 71.11 2.52 -8.38 -0.63 0
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397825 135030799 1 NOH19C23 ABC19D23 65.5 1.96 -8.58 -0.57 0
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397827 135030801 1 ClOC8H13 ABC8D13 -71.88 3.0 -9.78 0.77 0
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397828 135030802 1 O6C23H26 A6B23C26 -198.85 7.74 -8.4 -0.78 0
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397829 135030803 1 O6C23H26 A6B23C26 -194.98 9.89 -8.42 -0.94 0
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397830 135030804 1 ClO6C23H27 AB6C23D27 -207.33 6.4 -8.17 -0.3 0
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397831 135030805 1 O3C11H11 A3B11C11 -70.47 3.47 0.0 0.0 0
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397832 135030818 1 Cl2O3C10H12 A2B3C10D12 -111.84 3.87 -9.48 -1.46 0
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397833 135030819 1 BrClSO2H12C17 ABCD2E12F17 -30.74 2.02 -8.89 -1.42 0
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397834 135030820 1 ClNSO4H12C17 ABCD4E12F17 -37.25 6.37 -9.09 -1.61 -2
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397835 135030821 1 CuIN4H12C13 ABC4D12E13 277.27 3.53 -8.11 -1.51 -2
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397836 135030822 1 HN3 AB3 74.11 2.61 -10.6 -0.16 0
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397837 135030823 1 O3H14C24 A3B14C24 11.96 6.01 -9.52 -1.35 0
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397839 135030825 1 FNO3C19H20 ABC3D19E20 -111.94 3.12 -8.74 -0.35 0
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397840 135030826 1 NC21H23 AB21C23 33.91 2.87 -8.9 -0.52 0
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397841 135030828 1 N2O2H16C19 A2B2C16D19 3.81 2.0 -9.35 -0.64 0
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397842 135030829 1 ON4H14C16 AB4C14D16 55.26 2.03 -9.09 -0.4 0
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397843 135030832 1 ON2H14C19 AB2C14D19 39.63 2.83 -8.79 -0.32 0
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397844 135030833 1 NOSH15C24 ABCD15E24 77.39 1.08 -8.62 -1.0 0
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397845 135030834 1 N2H16C21 A2B16C21 98.35 1.29 -9.07 -0.54 0
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397846 135030835 1 SiO4C32H42 AB4C32D42 -161.51 3.5 -9.04 -0.03 0
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397847 135030836 1 SiO6C37H50 AB6C37D50 -259.44 2.65 -8.93 -0.08 0
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397848 135030837 1 NOH17C18 ABC17D18 35.65 3.47 -9.3 -0.32 0
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397849 135030839 1 ON4H20C31 AB4C20D31 189.0 8.44 -9.65 -0.6 0
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397850 135030840 1 ON4H28C31 AB4C28D31 129.85 10.39 -10.22 -1.14 0
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397851 135030841 1 ON4H26C29 AB4C26D29 130.49 7.06 -10.02 -0.56 0