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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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403725 135061510 1 N3O7C30H41 A3B7C30D41 -306.08 2.21 -9.46 0.1 0
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403726 135061513 1 S2O8C23H24 A2B8C23D24 -251.83 7.19 -9.91 -0.67 0
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403727 135061515 1 C17H26 A17B26 16.75 0.89 -8.65 0.45 0
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403728 135061526 1 NOC21H31 ABC21D31 -56.63 6.71 -8.49 -0.16 0
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403729 135061533 1 FON2H21C22 ABC2D21E22 -10.51 0.72 -8.45 -0.81 0
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403730 135061559 1 NSO3C26H27 ABC3D26E27 -36.21 7.62 -8.42 -0.54 0
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403731 135061564 1 NOH17C18 ABC17D18 27.75 2.08 -9.42 0.15 0
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403732 135061632 1 S2O3C26H30 A2B3C26D30 -39.1 7.04 -8.02 -0.26 0
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403733 135061633 1 S2O3C22H26 A2B3C22D26 -9.5 6.51 -8.28 -0.28 0
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403734 135061634 1 O2C21H26 A2B21C26 -47.67 2.14 -9.32 0.16 1
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403735 135061635 1 N2C20H25 A2B20C25 39.67 2.09 0.0 0.0 0
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403736 135061637 1 NO2C31H31 AB2C31D31 -24.12 1.96 -9.03 -0.06 0
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403737 135061638 1 O3C18H20 A3B18C20 -68.17 2.04 -9.23 -0.33 2
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403738 135061639 3 NC7H9 AB7C9 78.3 1.92 -7.78 -0.2 0
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403739 135061641 1 NSiC15H27 ABC15D27 -12.72 3.74 -9.88 1.01 0
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403740 135061642 1 SiN2O2C20H26 AB2C2D20E26 -53.76 1.78 -8.57 -0.09 0
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403741 135061643 2 FN2H12C14 AB2C12D14 24.3 5.05 -8.02 -0.19 0
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403742 135061645 1 O2N3C13H15 A2B3C13D15 -30.65 6.45 -9.43 -1.06 0
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403743 135061646 1 N3O3C20H23 A3B3C20D23 -68.27 5.78 -9.01 -0.56 0
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403744 135061647 1 FN3H12C14 AB3C12D14 32.14 3.31 -8.52 -0.52 0
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403745 135061648 1 SO2N3C22H29 AB2C3D22E29 -37.33 6.31 -8.12 -0.93 0
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403746 135061649 1 SN3O3H19C21 AB3C3D19E21 -11.79 5.67 -8.27 -0.94 0
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403747 135061650 1 SO2N4H12C16 AB2C4D12E16 44.41 5.51 -8.94 -0.71 0
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403748 135061651 1 ClON2C13H15 ABC2D13E15 -13.62 1.05 -9.16 -0.82 0
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403749 135061652 1 ClSN3H12C17 ABC3D12E17 103.78 2.77 -8.35 -0.85 0
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403750 135061653 1 O2N3H15C16 A2B3C15D16 -1.66 6.48 -8.97 -0.7 0
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403751 135061654 1 NO4C16H19 AB4C16D19 -155.84 5.33 -8.94 -0.6 0
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403752 135061655 1 NO2C16H21 AB2C16D21 -92.25 3.23 -8.58 0.31 0
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403753 135061656 1 OC22H30 AB22C30 -45.79 1.54 -8.53 0.3 0
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403754 135061670 1 NOC15H19 ABC15D19 -41.61 2.41 -8.66 0.01 0
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403755 135061671 1 ON2H18C20 AB2C18D20 39.12 3.65 -8.45 -0.02 0
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403756 135061675 1 ClOH15C20 ABC15D20 43.14 0.79 -8.8 -0.79 0
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403757 135061676 1 ClOH15C20 ABC15D20 42.87 4.54 -8.66 -0.66 0
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403758 135061710 1 ON2F6C16H16 AB2C6D16E16 -325.8 9.85 -9.31 -0.85 0
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403759 135061725 1 BrOSiC15H17 ABCD15E17 -24.66 1.54 -9.16 -0.12 0
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403760 135061732 1 OSiC23H38 ABC23D38 -86.59 1.91 -9.13 0.45 0
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403761 135061773 1 NO8C11H15 AB8C11D15 -257.87 5.59 -11.18 -1.33 0
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403762 135061774 1 OC13H20 AB13C20 -54.66 3.72 -9.49 0.42 0
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403763 135061775 1 OC12H18 AB12C18 -60.63 4.08 -9.74 0.17 0
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403764 135061776 1 NSO4C15H21 ABC4D15E21 -163.63 5.92 -9.59 -0.61 0
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403765 135061777 1 NSO4C15H21 ABC4D15E21 -159.24 3.69 -9.51 -0.6 0
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403766 135061778 1 BrSeN5O5H14C16 ABC5D5E14F16 -78.35 4.77 -9.62 -1.31 0
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403767 135061779 1 ISeN2Si2O7C28H41 ABC2D2E7F28G41 -380.88 9.87 -8.98 -1.14 0
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403768 135061780 1 ISeN5O5H14C16 ABC5D5E14F16 -62.86 5.32 -9.45 -1.52 0
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403769 135061782 1 O3C16H24 A3B16C24 -115.64 0.94 -9.1 0.23 0
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403770 135061783 1 OS2C14H18 AB2C14D18 -32.39 1.05 -8.65 0.19 2
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403771 135061785 1 N3C23H31 A3B23C31 64.92 2.18 -7.66 -0.08 0
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403772 135061786 1 NO2H25C30 AB2C25D30 36.91 3.12 -8.25 -0.01 2
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403773 135061787 1 N3C32H41 A3B32C41 74.82 1.49 -7.64 -0.2 0
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403774 135061789 1 ClFSN3O4H17C20 ABCD3E4F17G20 -130.38 7.39 -8.79 -1.03 0