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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