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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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404654 135068685 1 O4H20C23 A4B20C23 -84.73 3.67 -9.0 -1.16 0
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404655 135068693 1 NO6C18H21 AB6C18D21 -168.32 1.15 -8.7 -0.03 0
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404656 135068696 1 O3C15H20 A3B15C20 -117.67 5.13 -8.76 0.12 0
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404657 135068697 1 ON2C12H12 AB2C12D12 12.09 5.94 -9.08 -0.8 0
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404658 135068757 2 NO5C25H28 AB5C25D28 -327.9 4.0 -9.21 -0.18 0
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404660 135068819 1 O4C27H28 A4B27C28 -62.28 1.66 -8.49 -0.01 0
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404661 135068820 2 SiO2C13H26 AB2C13D26 -337.76 3.77 -8.6 0.96 0
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404662 135068821 1 NO6C37H49 AB6C37D49 -167.1 3.52 -8.61 0.09 0
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404663 135068822 2 OC9H9 AB9C9 -38.6 1.53 -8.48 -0.43 0
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404665 135068952 2 SiO2C9H15 AB2C9D15 -234.42 4.57 -9.55 -0.55 0
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404666 135068959 1 O3H16C17 A3B16C17 -52.93 4.42 -9.48 -1.32 0
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404667 135068962 1 NO2Cl3H16C18 AB2C3D16E18 -34.03 4.99 -9.5 -0.4 0
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404668 135068968 1 NPO4C27H34 ABC4D27E34 -190.9 3.33 -9.43 -0.12 0
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404669 135068969 1 NPO4C21H24 ABC4D21E24 -171.4 4.52 -9.34 0.05 1
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404670 135069003 1 BP2O5C9H22 AB2C5D9E22 -254.82 2.72 0.0 0.0 0
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404671 135069007 1 PF2O4C14H19 AB2C4D14E19 -303.13 3.82 -10.05 -0.55 1
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404672 135069013 1 BP2O5C14H24 AB2C5D14E24 -244.48 4.68 0.0 0.0 0
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404673 135069154 1 OH16C19 AB16C19 42.0 2.78 -8.59 -0.38 0
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404674 135069156 1 NO5C17H21 AB5C17D21 -164.29 3.0 -8.42 0.02 0
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404675 135069158 2 O2C8H9 A2B8C9 -138.98 3.44 -9.39 0.18 0
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404676 135069159 1 NO5C21H29 AB5C21D29 -176.12 3.57 -8.83 -0.09 0
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404677 135069160 1 NSO6H27C29 ABC6D27E29 -162.12 5.55 -8.59 -0.59 0
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404678 135069216 2 OH8C10 AB8C10 -27.93 5.36 -9.08 -1.18 0
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404679 135069281 1 OC14H14 AB14C14 75.53 1.95 -9.12 -0.4 0
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404680 135069283 1 NOSCl2H9C10 ABCD2E9F10 -12.86 8.73 -9.38 -0.47 0
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404681 135069325 1 NOC25H31 ABC25D31 -3.39 3.28 -7.54 -0.04 0
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404682 135069404 1 BrNH12C17 ABC12D17 77.22 1.86 -8.48 -0.71 0
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404683 135069420 1 NSO3C20H21 ABC3D20E21 -71.1 8.96 -9.6 -0.64 0
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404684 135069421 1 ON3H11C12 AB3C11D12 18.63 5.2 -8.57 -0.96 1
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404685 135069475 1 BPO2C14H21 ABC2D14E21 21.11 2.9 0.0 0.0 0
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404686 135069535 1 NOC10H15 ABC10D15 -26.38 4.22 -8.85 0.77 0
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404687 135069540 1 OSiN2C12H24 ABC2D12E24 -91.74 4.72 -9.6 0.66 0
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404689 135069542 1 O5C26H30 A5B26C30 -135.48 2.55 -8.56 0.2 0
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404690 135069543 1 OC18H24 AB18C24 -34.52 1.18 -9.08 0.4 0
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404691 135069544 1 SnO7C39H42 AB7C39D42 -184.41 1.37 -9.43 -0.75 0
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404693 135069585 1 N2H18C21 A2B18C21 86.17 4.9 -8.44 -0.22 0
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404695 135069671 1 NSSiO2C14H23 ABCD2E14F23 -81.71 4.27 -9.2 0.27 0
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404696 135069674 1 O3C16H22 A3B16C22 -134.81 4.6 -9.99 -0.52 0
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404697 135069675 1 O3C16H22 A3B16C22 -132.52 3.63 -10.11 -0.9 0
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404699 135069678 1 NO6C20H21 AB6C20D21 -199.41 2.71 -8.63 -1.15 0
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404701 135069680 1 BrSN2Si2O6C41H63 ABC2D2E6F41G63 -353.87 6.99 -8.62 -0.92 0
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404702 135069681 1 SiO2C28H38 AB2C28D38 -89.56 1.25 -9.06 0.04 0
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404703 135069683 1 ClN2O2H17C20 AB2C2D17E20 -8.93 2.25 -9.22 -1.34 0
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404704 135069687 1 O2C27H42 A2B27C42 -124.73 2.44 -8.33 0.75 0
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404705 135069710 1 P2O3C31H42 A2B3C31D42 -187.62 2.43 -8.44 0.04 0
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404706 135069730 1 ON2F4H8C14 AB2C4D8E14 -184.56 6.74 -8.79 -1.6 0
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404707 135069767 2 OC5H9 AB5C9 -128.81 3.44 -10.05 2.59 0
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404708 135069790 3 C5H8 A5B8 -16.09 0.47 -8.79 1.66 0
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404709 135069805 1 N2C21H22 A2B21C22 94.99 3.83 -8.84 -0.28 0
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404710 135069816 1 O4C17H24 A4B17C24 -111.24 1.79 -7.97 -0.23 0