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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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20618 584856 2 NO2C9H11 AB2C9D11 -94.38 3.63 -8.82 -1.47 0
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20619 584860 1 NSO4C19H27 ABC4D19E27 -160.39 5.12 -8.71 -0.61 0
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20620 584861 1 SeO2H12C14 AB2C12D14 -35.3 6.06 -8.84 -0.89 0
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20621 584882 1 BrNO2C24H24 ABC2D24E24 -56.04 2.93 -9.04 -1.03 0
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20622 584886 1 N2C19H26 A2B19C26 14.92 4.74 -10.53 0.76 0
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20623 584898 1 NOCl2C20H25 ABC2D20E25 -43.36 4.92 -8.79 0.33 0
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20624 584902 1 NOC24H27 ABC24D27 -18.4 3.74 -9.33 -0.07 0
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20625 584904 1 O3H14C15 A3B14C15 -72.89 4.2 -9.24 -0.48 0
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20626 584906 1 NO4C27H27 AB4C27D27 -137.99 5.27 -9.36 -1.42 0
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20627 584907 1 NO2C24H27 AB2C24D27 -60.16 4.67 -8.2 0.02 0
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20628 584908 1 NOSC17H23 ABCD17E23 -25.69 3.2 -8.24 0.27 0
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20629 584923 1 O4H16C17 A4B16C17 -112.49 4.56 -9.39 -0.61 0
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20630 584925 2 OC9H11 AB9C11 -95.76 2.17 -9.55 0.14 0
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20631 584927 2 OSC5H5 ABC5D5 -41.66 2.95 -9.21 -1.57 0
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20632 584928 1 O3H14C15 A3B14C15 -73.69 3.39 -9.15 -0.55 0
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20633 584936 1 SO2N3C11H11 AB2C3D11E11 4.4 5.62 -8.51 -0.76 0
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20634 584946 1 BrC10H15 AB10C15 2.19 2.46 -8.97 -0.06 0
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20635 584949 1 NOC13H17 ABC13D17 -37.78 4.43 -10.19 0.03 0
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20636 584950 1 C15H26 A15B26 -9.99 0.5 -9.55 1.39 0
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20637 584952 1 SN3C11H19 AB3C11D19 3.73 1.36 -9.28 -0.33 0
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20638 584953 1 NOC22H31 ABC22D31 -56.56 3.84 -9.3 0.74 0
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20639 584954 1 SeC10H16 AB10C16 5.91 3.25 -8.05 -1.04 0
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20640 584956 1 SN2O2F3H15C17 AB2C2D3E15F17 -202.98 4.04 -9.14 -0.64 0
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20641 584957 1 C11H18 A11B18 -10.2 0.69 -8.88 1.15 0
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20642 584961 1 ON2C8H10 AB2C8D10 11.14 7.09 -8.79 -0.98 0
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20643 584966 1 ON2H12C13 AB2C12D13 44.41 7.66 -8.88 -0.86 0
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20644 584997 1 SiO2C24H26 AB2C24D26 -40.13 4.47 -8.36 -0.14 0
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20645 584998 1 OC13H18 AB13C18 -28.87 1.84 -8.8 0.35 0
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20646 585005 3 C5H8 A5B8 -21.97 0.07 -7.95 1.0 0
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20647 585009 1 N3O3C20H23 A3B3C20D23 -64.59 1.56 -8.96 -0.33 0
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20648 585010 1 O2N4C19H22 A2B4C19D22 -31.33 9.65 -9.3 -0.27 0
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20649 585011 1 O3N4F6H20C21 A3B4C6D20E21 -343.88 5.84 -8.84 -1.08 0
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20650 585015 1 BrO3H11C14 AB3C11D14 -68.32 6.49 -9.32 -0.88 0
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20651 585016 1 NO3F5H12C13 AB3C5D12E13 -337.73 8.74 -9.44 -1.08 0
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20652 585019 1 N2F3O3C16H17 A2B3C3D16E17 -237.01 3.88 -9.09 -0.62 0
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20653 585022 1 O3C16H16 A3B16C16 -85.3 6.39 -8.91 -0.83 0
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20654 585026 1 O5C16H16 A5B16C16 -159.25 6.05 -9.12 -0.45 0
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20655 585027 1 FO2C15H15 AB2C15D15 -89.38 4.69 -9.28 -0.42 0
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20656 585031 1 OC15H22 AB15C22 -64.38 2.61 -9.2 0.26 0
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20657 585032 1 OC15H24 AB15C24 -72.6 3.1 -8.87 0.94 0
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20658 585033 1 OC15H26 AB15C26 -78.8 2.14 -8.85 1.5 0
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20659 585034 1 N2O4C21H22 A2B4C21D22 -137.64 1.85 -8.93 -0.52 0
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20660 585035 1 BrO3H11C14 AB3C11D14 -70.0 4.18 -9.27 -0.96 0
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20661 585038 1 OC15H24 AB15C24 -66.96 2.66 -8.94 0.72 0
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20662 585039 1 SO2C8H8 AB2C8D8 -62.77 4.38 -9.41 -0.95 0
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20663 585065 2 NO2C6H7 AB2C6D7 -97.28 3.04 -8.88 -0.11 0
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20664 585069 1 ClN2O3H17C18 AB2C3D17E18 -52.8 5.83 -9.03 -1.03 0
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20665 585072 1 NSO3C23H29 ABC3D23E29 -109.14 5.59 -9.01 -0.91 0
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20666 585078 2 OC6H9 AB6C9 -88.54 1.84 -9.01 0.83 0
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20667 585082 1 NSO3C21H31 ABC3D21E31 -157.45 6.27 -9.5 -0.13 0
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20668 585088 1 N2O3C20H22 A2B3C20D22 -68.95 3.3 -9.01 -0.15 0
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20669 585095 1 NOC8H9 ABC8D9 -13.38 1.67 -8.96 -0.09 0
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20670 585102 1 N2O4C21H24 A2B4C21D24 -101.73 3.01 -8.79 -0.17 0
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20671 585103 1 OC13H20 AB13C20 -61.03 3.53 -9.59 0.82 0
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20672 585107 1 O4N5C15H15 A4B5C15D15 53.84 10.0 -8.53 -1.49 0
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20673 585110 1 FN2O2C18H21 AB2C2D18E21 -109.25 1.2 -8.96 -0.87 0
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20674 585111 1 O2C9H12 A2B9C12 -70.19 1.95 -9.26 0.52 0
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20675 585120 1 NO3C22H29 AB3C22D29 -82.71 3.62 -8.6 -0.12 0
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20676 585125 2 OC9H10 AB9C10 -29.34 2.23 -8.57 0.28 0
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20677 585136 1 SN4C18H24 AB4C18D24 47.35 4.58 -8.9 -0.57 0
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20678 585141 1 O2C21H30 A2B21C30 -145.18 2.2 -10.07 1.01 0
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20679 585150 2 NC4H6 AB4C6 20.49 4.14 -8.62 0.32 0
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20680 585165 1 O2F5C14H17 A2B5C14D17 -366.77 3.49 -10.52 -0.46 0
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20681 585166 1 OSiF5C19H23 ABC5D19E23 -330.16 4.03 -10.03 -0.79 0
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20682 585170 1 BrN2O3H25C26 AB2C3D25E26 -70.68 1.96 -9.47 -1.05 0
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20683 585173 1 O2C19H26 A2B19C26 -103.82 6.41 -9.9 -0.75 0
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20684 585174 2 OC4H4 AB4C4 -65.55 3.93 -9.29 -0.82 0
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20685 585176 1 Cl2O2C13H18 A2B2C13D18 -130.67 3.11 -10.42 -0.58 0
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20686 585191 1 SN2O5C19H26 AB2C5D19E26 -140.19 1.14 -9.68 -1.4 0
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20687 585202 1 NSO4C17H23 ABC4D17E23 -153.84 3.47 -9.0 0.0 0
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20688 585204 1 OSiC21H38 ABC21D38 -140.78 2.37 -9.07 0.44 0
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20689 585205 1 SiCl3O3C11H17 AB3C3D11E17 -194.98 3.08 -9.19 -1.64 0
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20690 585207 1 OSiC23H42 ABC23D42 -149.4 2.13 -9.08 0.43 0
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20691 585218 1 NSiC10H16 ABC10D16 7.81 1.58 0.0 0.0 1
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20692 585220 1 O2N3C17H19 A2B3C17D19 1.67 5.1 -8.07 -0.42 0