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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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394721 135023635 1 NH21C23 AB21C23 89.47 1.73 -8.23 -0.05 0
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394722 135023636 1 ClNOH12C17 ABCD12E17 23.54 3.0 -8.51 -1.08 0
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394723 135023641 1 SiO2C22H36 AB2C22D36 -166.55 3.45 -8.85 0.02 0
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394724 135023642 1 SiO7C26H48 AB7C26D48 -440.83 6.6 -8.77 0.48 0
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394725 135023643 1 O7C27H40 A7B27C40 -349.12 4.37 -9.69 -0.01 0
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394726 135023644 1 O13C40H66 A13B40C66 -706.95 5.1 -9.56 0.61 0
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394727 135023648 1 SiO5C22H40 AB5C22D40 -280.95 1.7 -8.86 -0.15 0
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394728 135023654 1 N3O4C22H23 A3B4C22D23 -110.2 4.87 -8.59 -0.54 0
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394729 135023656 1 Si7O11C33H78 A7B11C33D78 -894.37 1.49 -9.6 0.83 0
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394730 135023657 1 IOC18H19 ABC18D19 31.15 3.31 -9.51 -1.07 0
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394731 135023658 1 SN2O5H30C31 AB2C5D30E31 -106.38 3.36 -8.46 -0.14 0
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394732 135023659 1 NO3H15C17 AB3C15D17 -57.49 3.2 -9.64 -0.69 0
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394733 135023660 1 N3O4H17C21 A3B4C17D21 81.07 7.55 -9.47 -1.94 0
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394734 135023661 2 NH9C11 AB9C11 117.16 7.46 -8.61 -0.39 0
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394735 135023662 1 NF6H17C23 AB6C17D23 -236.44 5.66 -9.14 -0.98 0
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394736 135023663 1 N2F3H17C23 A2B3C17D23 -41.94 9.34 -8.94 -0.85 0
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394737 135023664 1 NF4H17C22 AB4C17D22 -119.15 6.03 -8.78 -0.7 0
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394738 135023665 1 NOH23C27 ABC23D27 84.88 2.31 -8.98 -0.17 0
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394739 135023666 1 NOH23C27 ABC23D27 80.61 3.41 -8.4 -0.28 0
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394740 135023667 1 NO4H23C24 AB4C23D24 -57.37 2.15 -9.31 -0.71 0
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394741 135023668 1 BrNO2C16H16 ABC2D16E16 -8.28 3.19 -9.43 -0.7 0
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394742 135023669 1 SiN2O2C20H24 AB2C2D20E24 -22.83 4.44 -9.22 -0.03 0
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394744 135023672 1 NO5C23H25 AB5C23D25 -160.93 7.3 -9.84 -0.77 0
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394745 135023673 1 NO3C21H25 AB3C21D25 -99.8 3.38 -9.57 -0.01 0
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394746 135023674 1 NO3C21H25 AB3C21D25 -97.43 1.63 -9.64 -0.56 0
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394747 135023675 2 OC8H9 AB8C9 -16.21 2.21 -9.38 -0.32 0
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394748 135023676 1 O5C19H28 A5B19C28 -236.74 4.64 -9.63 0.02 0
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394749 135023677 1 OC13H14 AB13C14 -19.16 2.96 -9.01 -0.28 0
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394750 135023684 1 SO4C8H16 AB4C8D16 -192.63 5.64 -9.72 0.29 0
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394751 135023690 1 NO6H15C17 AB6C15D17 -130.49 7.48 -10.0 -1.6 1
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394752 135023692 1 ON3C40H46 AB3C40D46 38.17 3.04 0.0 0.0 0
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394753 135023694 1 O2N4H14C25 A2B4C14D25 115.16 9.16 -9.67 -1.52 0
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394754 135023695 1 NO6C25H31 AB6C25D31 -202.27 3.69 -9.79 -0.22 0
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394755 135023696 2 NOC10H11 ABC10D11 -28.69 3.83 -8.96 -0.4 0
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394756 135023704 2 O5H11C13 A5B11C13 -98.87 5.68 -9.73 -0.89 0
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394757 135023705 1 GeN3C19H21 AB3C19D21 75.69 2.16 -8.54 -0.57 0
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394758 135023706 1 NOC19H19 ABC19D19 26.22 2.35 -8.51 0.14 0
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394759 135023707 2 OC9H11 AB9C11 -11.15 3.58 -9.38 -0.36 0
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394760 135023709 1 O2H20C21 A2B20C21 -23.94 4.09 -9.54 -0.68 0
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394762 135023715 1 N2O5C21H26 A2B5C21D26 -210.52 4.13 -8.27 -0.08 0
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394763 135023716 1 BrOC14H17 ABC14D17 -27.5 2.95 -8.55 0.27 0
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394764 135023717 1 O3H10C12 A3B10C12 -67.2 5.29 -9.06 -0.9 0
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394765 135023718 1 N4O4C11H20 A4B4C11D20 -135.87 2.78 -9.71 0.1 0
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394766 135023719 1 N2O3H40C41 A2B3C40D41 39.42 3.71 -8.96 -0.53 0
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394767 135023720 1 NO4C15H31 AB4C15D31 -209.27 6.69 -8.8 1.2 0
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394768 135023721 1 OF3H15C18 AB3C15D18 -149.83 2.68 -9.4 -0.69 0
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394769 135023722 1 ClOF3H8C15 ABC3D8E15 -139.52 2.52 -9.36 -1.14 0
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394770 135023734 1 O2C19H28 A2B19C28 -102.36 3.17 -9.18 0.7 0
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394771 135023737 1 SiO4C25H42 AB4C25D42 -234.44 2.55 -8.82 0.4 0
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394772 135023739 1 OSN2C13H16 ABC2D13E16 23.3 7.47 -8.44 -0.7 0
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394773 135023740 1 NO2C16H21 AB2C16D21 -44.85 1.66 -8.87 0.22 0
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394774 135023750 1 SN3H15C18 AB3C15D18 109.65 4.56 -8.88 -0.84 0
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394775 135023757 1 NO2C18H27 AB2C18D27 -83.62 2.65 -9.0 0.43 0
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394776 135023766 2 NOC10H11 ABC10D11 -27.32 3.24 -8.62 -0.73 0
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394777 135023787 1 O5C22H26 A5B22C26 -156.19 4.58 -9.03 -0.03 0
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394778 135023798 2 NO2H8C10 AB2C8D10 -45.04 3.41 -9.3 -0.86 0
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394779 135023801 1 SO4N5H21C22 AB4C5D21E22 45.63 6.96 -8.12 -0.97 0
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394780 135023802 1 SO3N5H19C22 AB3C5D19E22 114.64 4.72 -8.32 -1.65 0
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394781 135023803 1 NO4C37H55 AB4C37D55 -142.06 8.74 -8.76 -1.33 0
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394782 135023805 1 O5C16H20 A5B16C20 -216.99 5.96 -10.43 -0.79 -1
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394783 135023807 1 ClO4C16H16 AB4C16D16 -113.71 4.05 0.0 0.0 0
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394784 135023808 1 ClO4C16H17 AB4C16D17 -134.85 3.23 -9.26 -0.42 -1
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394785 135023809 1 ClO4C16H16 AB4C16D16 -114.52 3.62 0.0 0.0 0
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394786 135023810 1 ClO4C16H17 AB4C16D17 -135.55 2.27 -9.39 -0.35 0
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394788 135023817 1 NPO3C25H27 ABC3D25E27 -56.46 4.04 0.0 0.0 0
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394789 135023818 1 NPO3C25H28 ABC3D25E28 -59.63 5.72 -8.28 -0.61 1
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394790 135023819 1 O4H17C21 A4B17C21 -29.47 4.54 0.0 0.0 0
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394791 135023822 1 SN3H13C17 AB3C13D17 120.63 5.0 -9.0 -0.98 0
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394792 135023823 1 FSN3H10C16 ABC3D10E16 85.16 5.39 -9.22 -0.86 0
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394793 135023824 1 ClSN3H10C16 ABC3D10E16 121.14 3.09 -9.17 -1.14 0
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394794 135023827 2 O2H11C14 A2B11C14 -53.94 3.16 -8.86 -0.81 0
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394795 135023828 2 O3H7C8 A3B7C8 -144.24 4.21 -9.55 -0.53 0
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394797 135023830 1 ON2H17C19 AB2C17D19 62.16 5.41 0.0 0.0 0
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394798 135023832 1 NO5C19H29 AB5C19D29 -220.91 4.95 -8.81 -0.04 0
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394799 135023833 1 ON2H30C31 AB2C30D31 32.12 3.22 -8.49 -0.65 0