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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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9626 91721 2 HCl4C6 AB4C6 -8.36 1.07 -9.73 -1.31 0
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9627 91728 1 Cl5H5C12 A5B5C12 10.49 3.35 -9.73 -0.93 0
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9628 91754 1 ClOSN2C19H25 ABCD2E19F25 -24.25 4.2 -9.02 -1.12 0
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9629 91765 1 NSO3C17H27 ABC3D17E27 -128.86 3.52 -8.52 -0.25 0
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9630 91777 1 S2N5O7C9H15 A2B5C7D9E15 -247.77 5.19 -9.42 -1.21 0
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9631 91788 1 ClON2C15H27 ABC2D15E27 -61.12 10.52 -8.47 0.31 0
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9632 91789 1 ON2C15H27 AB2C15D27 -13.61 1.69 0.0 0.0 1
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9633 91794 1 O6C7H12 A6B7C12 -248.14 1.34 -10.33 -0.28 0
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9634 91803 2 O2C6H11 A2B6C11 -236.58 3.58 -10.64 0.94 0
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9635 91804 1 ClN3O3C9H16 AB3C3D9E16 -109.88 3.06 -10.21 -0.92 0
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9636 91807 1 NaSN3O6H18C21 ABC3D6E18F21 -216.32 10.95 -8.87 -1.29 0
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9637 91813 2 ClNC8H10 ABC8D10 4.91 2.69 -8.74 -0.1 0
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9638 91822 1 ClNC13H30 ABC13D30 -64.49 11.67 -8.12 0.48 0
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9639 91829 1 NSNa2O9C26H45 ABC2D9E26F45 -515.16 22.2 -9.19 -0.6 0
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9640 91831 2 C13H20 A13B20 -40.7 0.69 -8.68 -0.31 0
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9641 91833 2 OC2H5 AB2C5 -111.26 1.23 -10.53 1.98 0
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9642 91837 1 CP2H6O7 AB2C6D7 -435.32 2.21 -11.96 -0.19 0
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9643 91838 1 S2N7O7H19C22 A2B7C7D19E22 -94.08 9.2 -8.31 -2.29 0
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9644 91840 1 NS2O3C11H14 AB2C3D11E14 -109.74 5.74 0.0 0.0 1
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9645 91841 1 NSO3C9H13 ABC3D9E13 -84.94 16.39 -9.69 -1.86 0
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9646 91844 3 OC6H6 AB6C6 -82.98 2.34 -9.5 -0.55 0
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9647 91848 1 S2N4O5C12H12 A2B4C5D12E12 -89.13 3.86 -9.41 -1.37 0
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9648 91849 2 OC6H8 AB6C8 -85.2 1.63 -9.6 0.1 0
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9649 91886 1 NaN2O3C16H29 AB2C3D16E29 -192.23 6.62 -8.57 0.35 0
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9650 91909 1 OC11H18 AB11C18 -49.32 2.93 -9.22 1.17 0
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9651 91922 1 ClNO2C25H46 ABC2D25E46 -149.52 9.21 -8.46 -0.06 0
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9652 91992 1 ClNaH4O4C8 ABC4D4E8 -206.89 7.66 -10.18 -1.14 0
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9653 91993 1 O3C19H40 A3B19C40 -202.71 3.1 -9.71 1.51 0
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9654 92014 1 NOC11H15 ABC11D15 -42.93 4.67 -9.67 -0.28 0
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9655 92024 1 NO8C10H19 AB8C10D19 -359.82 3.56 -10.32 0.15 0
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9656 92028 1 O6C29H54 A6B29C54 -372.3 5.56 -10.64 0.13 0
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9657 92037 1 PS2O4C9H21 AB2C4D9E21 -251.88 4.76 -8.73 -0.09 0
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9658 92040 1 NCl3O3H6C9 AB3C3D6E9 -116.68 4.36 -9.99 -1.49 0
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9659 92041 1 FN2O2C6H7 AB2C2D6E7 -105.72 5.48 -9.74 -0.82 0
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9660 92051 2 NO2C5H7 AB2C5D7 -77.89 8.27 -8.62 -0.72 0
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9661 92078 1 SeSiC10H16 ABC10D16 -15.33 1.6 -8.13 0.05 0
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9662 92079 2 OC17H35 AB17C35 -252.48 1.03 -10.21 2.17 0
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9663 92119 3 OC5H6 AB5C6 -90.67 8.77 -9.89 -0.31 0
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9664 92124 1 NSO2C6H13 ABC2D6E13 -103.57 3.79 -8.96 0.42 0
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9665 92130 2 NH6C7 AB6C7 103.79 0.08 -9.07 -0.94 0
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9666 92134 2 NC7H7 AB7C7 55.01 2.36 -7.92 -0.07 0
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9667 92135 1 O3C4H8 A3B4C8 -147.56 4.7 -10.84 0.33 0
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9668 92138 1 OC15H26 AB15C26 -68.1 2.07 -9.53 1.22 0
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9669 92157 2 OC16H26 AB16C26 -174.79 3.09 -9.49 0.98 0
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9670 92163 1 ClON2C13H21 ABC2D13E21 -73.63 5.57 -8.78 0.12 0
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9671 92173 1 ClNSO2C5H12 ABCD2E5F12 -136.91 5.91 -9.42 0.07 0
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9672 92176 1 NSO3C21H45 ABC3D21E45 -192.09 14.77 -9.52 -0.24 0
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9673 92198 1 N2C21H36 A2B21C36 -43.09 2.65 -9.1 1.49 0
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9674 92209 1 O3C4H8 A3B4C8 -136.12 5.58 -10.73 0.57 0
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9675 92210 2 OC3H6 AB3C6 -106.57 1.68 -9.82 1.7 0