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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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22556 597728 1 OCl2N2S2H12C17 AB2C2D2E12F17 34.39 1.63 -8.82 -1.76 0
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22557 597729 1 NOCl3C15H16 ABC3D15E16 -38.08 4.23 -9.04 -0.26 0
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22558 597730 1 ClNO2C8H8 ABC2D8E8 -5.33 4.86 -10.15 -1.4 0
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22559 597731 1 SC10H16 AB10C16 39.34 1.97 -8.55 0.56 0
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22560 597732 1 SO3C11H16 AB3C11D16 -144.34 5.24 -8.92 0.04 0
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22561 597738 2 OC8H14 AB8C14 -62.55 3.68 -6.69 -0.94 -4
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22562 597740 2 NOC4H6 ABC4D6 -19.13 5.3 -8.12 -0.59 0
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22563 597741 1 N2O5C20H26 A2B5C20D26 -150.84 3.47 -8.99 -0.32 0
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22564 597742 4 NC2H4 AB2C4 9.66 2.23 -8.34 2.11 0
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22565 597743 1 SN2C8H12 AB2C8D12 31.45 5.85 -9.47 -0.25 0
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22566 597744 3 ON2C3H4 AB2C3D4 8.29 8.46 -8.79 -1.04 0
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22567 597745 1 O4N5C9H11 A4B5C9D11 -51.87 8.85 -8.91 -1.08 0
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22568 597746 1 ClO2C12H17 AB2C12D17 -126.89 4.17 -10.52 0.81 0
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22569 597747 1 RhO2H13C14 AB2C13D14 87.27 4.32 -9.27 -3.42 -9
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22570 597748 1 ClOC10H15 ABC10D15 -81.4 0.82 -10.4 0.84 0
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22571 597749 1 O5C16H20 A5B16C20 -210.56 5.28 -9.78 0.04 0
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22572 597750 1 N4H20C25 A4B20C25 194.59 0.89 -8.92 -0.84 0
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22573 597752 1 FNO4H6C8 ABC4D6E8 -102.42 5.5 -10.88 -1.7 0
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22574 597753 1 N2O3C7H8 A2B3C7D8 -15.67 3.17 -9.94 -1.59 0
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22575 597754 1 NO3C12H21 AB3C12D21 -159.94 2.33 -8.98 0.83 0
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22576 597755 1 NCl2C16H17 AB2C16D17 17.46 4.81 -9.13 -0.06 0
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22577 597797 1 NC15H17 AB15C17 73.92 5.76 -9.51 -0.84 0
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22578 597800 1 O2N3C20H23 A2B3C20D23 -34.87 7.13 -8.69 -0.32 0
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22579 597804 1 N2F4H4C5 A2B4C4D5 -174.34 5.87 -9.97 -0.54 0
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22580 597805 1 NPO7C17H26 ABC7D17E26 -366.01 6.19 -8.64 0.02 0
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22581 597806 1 OSC9H12 ABC9D12 -28.64 2.36 -8.45 0.1 0
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22582 597820 1 NO3C19H19 AB3C19D19 -82.12 6.47 -9.61 -0.2 0
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22583 597821 1 OCl2N2H14C19 AB2C2D14E19 51.07 5.01 -8.53 -0.93 0
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22584 597824 1 NOC13H13 ABC13D13 10.74 3.05 -8.8 0.07 0
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22585 597825 2 NOH5C6 ABC5D6 44.38 5.02 -9.89 -1.17 0
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22586 597837 1 N2O4C19H32 A2B4C19D32 -223.94 0.48 -9.69 0.68 0
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22587 597838 1 NH11C12 AB11C12 53.7 2.81 -8.9 -0.49 0
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22588 597839 1 NH11C12 AB11C12 47.16 1.99 -9.49 -0.11 0
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22589 597848 4 NC3H6 AB3C6 12.16 2.93 -8.25 0.18 0
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22590 597854 1 BNOSiC8H18 ABCDE8F18 -148.18 0.92 -8.76 0.93 0
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22591 597856 1 SCl2O2N4C22H22 AB2C2D4E22F22 49.62 3.83 -8.97 -0.89 0
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22592 597858 1 NSO3C12H19 ABC3D12E19 -71.3 5.43 -9.5 -0.88 0
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22593 597881 1 RhO2C11H14 AB2C11D14 38.22 5.89 0.0 0.0 -4
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22594 597888 1 OSiCl2H8C12 ABC2D8E12 -75.05 0.79 -8.96 -0.68 0
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22595 597889 1 RhO2C10H17 AB2C10D17 -106.96 8.6 -10.52 -3.33 -7
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22597 597896 1 ClC4H5 AB4C5 17.56 1.63 -9.77 -0.22 -4
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22598 597897 1 ClOSN2C16H17 ABCD2E16F17 0.04 5.01 -9.11 -0.98 0
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22599 597898 2 NOH10C11 ABC10D11 -18.36 3.31 -8.3 -0.01 0
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22600 597908 1 NO4C18H27 AB4C18D27 -165.52 5.63 -8.32 0.12 0
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22601 597964 1 ON4C15H18 AB4C15D18 74.69 5.49 -9.89 -1.19 0
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22602 597965 1 NO2C19H21 AB2C19D21 -45.66 5.96 -9.24 -1.12 0
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22603 597973 1 SO3C15H26 AB3C15D26 -160.55 0.9 -9.28 0.08 0
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22604 597974 1 NO2H3C9F14 AB2C3D9E14 -771.09 3.52 -11.69 -1.74 0
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22605 597975 1 NO5H8C20F21 AB5C8D20E21 -1219.54 5.09 -10.42 -1.44 0
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22606 597976 1 N3O3C18H35 A3B3C18D35 -194.85 6.06 -9.42 0.64 0
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22607 597977 1 O4C11H16 A4B11C16 -192.72 4.61 -10.82 0.16 0
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22608 597978 1 SiO7C18H30 AB7C18D30 -327.6 1.47 -9.98 0.48 0
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22609 597979 1 SiN2O6C12H20 AB2C6D12E20 -295.86 4.8 -9.67 -0.43 0
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22610 597980 1 SiN2O4C12H22 AB2C4D12E22 -137.63 3.14 -9.44 -0.62 0
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22611 597981 1 OSiC10H20 ABC10D20 -115.19 1.08 -8.97 1.27 0
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22612 597983 1 OSiC13H26 ABC13D26 -129.99 1.06 -8.94 1.27 0
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22613 597986 2 SiO2C6H11 AB2C6D11 -250.33 2.15 -9.59 -0.02 0
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22614 597987 1 OSiC11H22 ABC11D22 -119.42 1.01 -8.94 1.29 0
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22615 597988 1 SiN2O4C16H26 AB2C4D16E26 -233.29 1.14 -9.71 -0.56 0
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22616 597989 1 OSiSnC21H44 ABCD21E44 -145.51 1.05 -8.39 0.89 0
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22617 598013 1 SiO2C9H16 AB2C9D16 -128.55 4.07 -9.77 -0.64 0
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22618 598014 1 O17C34H40 A17B34C40 -710.16 5.33 -9.66 -0.85 0
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22619 598015 1 OSiC13H26 ABC13D26 -119.17 2.13 -9.13 1.01 0
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22620 598016 1 OSiC13H26 ABC13D26 -139.18 2.06 -9.14 1.39 0
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22621 598017 1 OSiC13H26 ABC13D26 -134.92 1.82 -9.14 1.4 0
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22622 598018 1 ClN2O3C12H15 AB2C3D12E15 -84.1 6.71 -9.11 -0.72 0
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22623 598019 1 ClNOC8H8 ABCD8E8 19.29 1.6 -9.21 -0.61 0
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22624 598020 1 N3O4H13C18 A3B4C13D18 30.67 0.51 -9.22 -1.5 0
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22625 598021 1 NOH19C21 ABC19D21 22.73 4.09 -8.8 -0.18 0
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22626 598022 1 O13C29H32 A13B29C32 -510.82 3.77 -8.81 -0.7 0
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22627 598023 1 AsC3S3H9 AB3C3D9 -11.08 0.95 -8.65 -1.2 0
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22628 598025 1 BrClF3N5H10C13 ABC3D5E10F13 -81.39 9.1 -9.3 -1.16 0
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22629 598039 1 N2O11C22H24 A2B11C22D24 -369.08 8.31 -9.39 -1.19 0
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22630 598045 1 BO2N3C6H12 AB2C3D6E12 -144.11 4.12 -9.9 0.06 0
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22631 598046 1 O4N5C6H9 A4B5C6D9 19.99 1.38 -10.29 -1.23 0
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22632 598052 1 NSO2C7H7 ABC2D7E7 -7.19 4.85 -8.37 -0.74 0
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22633 598053 1 N2O3H14C18 A2B3C14D18 -26.74 5.38 -8.56 -0.9 0
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22634 598054 1 H3N3O4C5 A3B3C4D5 30.7 2.11 -11.64 -2.57 0
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22635 598058 1 NSO2C7H7 ABC2D7E7 -63.91 7.26 -9.21 -0.66 0
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22636 598064 1 ClO4C20H27 AB4C20D27 -206.12 3.63 -10.46 0.21 0
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22637 598065 1 PN2O3C10H15 AB2C3D10E15 -135.11 1.71 -10.07 -1.08 0
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22638 598066 1 ClNSH4C7 ABCD4E7 43.78 1.34 -9.14 -1.03 0
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22639 598103 1 S2N3O4C17H23 A2B3C4D17E23 -137.15 6.16 -8.61 -1.32 0
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22640 598141 1 FN2O4C13H15 AB2C4D13E15 -191.24 6.51 -8.81 -0.48 0
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22641 598142 1 SF5O5H9C12 AB5C5D9E12 -434.65 5.66 -9.06 -1.12 0
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22642 598143 1 N2H10C11 A2B10C11 88.88 2.17 -8.83 -0.81 0
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22643 598147 1 OCl2N2H12C18 AB2C2D12E18 61.26 4.37 -8.7 -0.89 0
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22644 598193 1 ClN2O3H13C14 AB2C3D13E14 -65.28 1.9 -8.43 -0.9 0
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22645 598199 1 BrNC10H14 ABC10D14 19.34 0.8 -8.8 -0.02 0
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22646 598200 1 BrS2N3H8C9 AB2C3D8E9 82.79 3.02 -8.78 -1.04 0
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22647 598201 1 BrOSiC10H15 ABCD10E15 -80.03 1.71 -9.58 -0.29 0
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22648 598202 1 BrO2N4H7C9 AB2C4D7E9 87.24 6.57 -10.21 -1.08 0
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22649 598203 1 BrN2O2C11H11 AB2C2D11E11 -31.87 4.11 -9.16 -0.69 0
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22650 598204 1 BrN2O2C12H13 AB2C2D12E13 -35.85 4.04 -9.18 -0.72 0
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22651 598205 1 BrN2O2C12H13 AB2C2D12E13 -37.22 3.99 -9.14 -0.68 0
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22652 598207 1 BrClO2N4H12C14 ABC2D4E12F14 -22.31 2.27 -9.25 -0.87 0
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22653 598208 1 BrN2O2C13H15 AB2C2D13E15 -39.99 3.9 -9.15 -0.69 0
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22654 598209 1 BrClN2O2H12C13 ABC2D2E12F13 -28.15 3.78 -9.19 -0.74 0
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22655 598210 1 ClSO2N3C15H18 ABC2D3E15F18 -29.65 5.71 -8.69 -0.89 0
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22656 598227 1 OH12C13 AB12C13 -12.01 2.24 -8.73 -0.33 0