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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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225085 85741500 1 O2N3H19C28 A2B3C19D28 59.74 1.94 -9.18 -1.65 0
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225086 85741501 1 BrClNF2S2H5C10 ABCD2E2F5G10 -20.69 1.73 -9.19 -2.02 0
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225087 85741504 1 BrINF2S2H5C10 ABCD2E2F5G10 -2.35 2.12 -9.19 -2.0 0
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225088 85741512 1 NSO3C11H13 ABC3D11E13 -78.28 5.2 -8.67 -0.13 0
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225089 85741516 2 NOSC6H7 ABCD6E7 -23.3 5.17 -9.65 -1.0 0
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225090 85741519 1 O2N5H45C58 A2B5C45D58 213.33 6.72 -7.92 -0.83 0
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225091 85741526 1 SiO2C18H30 AB2C18D30 -152.28 3.02 -8.92 0.26 0
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225092 85741528 1 SN2O5C14H26 AB2C5D14E26 -254.49 6.76 -9.27 -0.19 0
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225093 85741531 1 SiO2C13H28 AB2C13D28 -169.95 0.99 -8.85 0.99 0
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225094 85741741 1 FIO7C12H16 ABC7D12E16 -356.7 1.87 -9.93 -1.1 0
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225095 85741742 1 N7O7C24H41 A7B7C24D41 -332.59 9.48 -9.52 0.21 0
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225096 85741743 1 SN2O2C15H16 AB2C2D15E16 -21.28 5.6 -9.52 -0.33 0
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225097 85741745 2 ON3C8H10 AB3C8D10 37.58 6.33 -9.43 -2.0 0
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225098 85741746 1 ClHIO2C3F3 ABCD2E3F3 -216.87 3.56 -10.94 -2.64 0
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225099 85741747 2 ON2C7H9 AB2C7D9 11.01 7.56 -10.32 -2.05 0
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225100 85741749 1 SN2O3C12H12 AB2C3D12E12 -46.9 5.51 -9.72 -0.37 0
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225101 85741751 1 BrO3H11C13 AB3C11D13 -44.45 6.81 -9.14 -1.35 0
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225102 85741754 1 O2C13H16 A2B13C16 -64.08 3.19 -9.17 -0.18 0
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225103 85741757 1 O4C15H20 A4B15C20 -138.96 4.06 -8.6 -0.22 0
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225104 85741759 1 FHBr2Cl2O2C3 ABC2D2E2F3 -132.71 3.75 -11.34 -2.28 0
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225105 85741761 1 NO3C15H15 AB3C15D15 -54.1 7.39 -8.44 -0.79 0
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225106 85741764 1 Br2F2H2O2C3 A2B2C2D2E3 -164.19 2.55 -11.15 -2.11 0
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225107 85741772 1 NCl2O2H3C4 AB2C2D3E4 -72.72 1.24 -11.55 -1.32 0
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225108 85741780 1 BrHNO2Cl3C4 ABCD2E3F4 -56.98 4.23 -11.75 -2.5 0
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225109 85741782 1 NOSC13H15 ABCD13E15 -5.58 3.49 -8.76 -0.57 0
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225110 85741789 1 NCl3O3H8C11 AB3C3D8E11 -96.46 1.84 -10.12 -1.18 0
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225111 85741790 1 N2O9C10H18 A2B9C10D18 -393.8 3.48 -10.07 -0.76 0
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225112 85741791 1 N2O3C19H28 A2B3C19D28 -129.47 5.18 -8.33 -0.44 0
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225113 85741793 1 BrHO2C3Cl4 ABC2D3E4 -95.1 2.71 -11.42 -2.05 0
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225114 85741795 1 HBr2O2C3Cl3 AB2C2D3E3 -85.02 3.06 -11.13 -2.2 0
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225115 85741796 1 HBr2O2C3Cl3 AB2C2D3E3 -80.86 2.61 -10.94 -2.0 0
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225116 85741801 1 NSiO3C21H43 ABC3D21E43 -259.16 2.1 -8.84 1.06 0
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225117 85741804 1 ClON2C14H17 ABC2D14E17 -43.35 5.22 -9.82 -0.21 0
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225118 85741812 1 NO2C10H17 AB2C10D17 -122.98 4.05 -9.59 1.16 0
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225119 85741822 1 BHOC18F22 ABCD18E22 -1151.18 4.12 -11.77 -2.6 0
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225120 85741832 3 O3H4C8 A3B4C8 -169.19 4.34 -8.59 -1.76 0
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225121 85741852 1 SO3H10C16 AB3C10D16 -16.95 6.13 -9.0 -1.39 0
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225122 85741862 1 NO3H29C30 AB3C29D30 -27.27 2.1 -9.25 -0.16 0
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225123 85741863 2 O2C6H9 A2B6C9 -145.45 4.47 -10.14 -0.42 0
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225124 85741869 1 OH2C3N4 AB2C3D4 101.9 1.54 -9.86 -1.12 0
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225125 85741870 1 ClC15H17 AB15C17 34.98 2.71 -8.67 -0.7 0
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225127 85741897 1 NOPC17H18 ABCD17E18 3.49 4.48 -8.92 -0.23 0
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225128 85741898 1 BrFOH12C14 ABCD12E14 -39.68 2.58 -9.38 -0.6 0
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225129 85741899 1 NPC17H20 ABC17D20 42.98 0.18 -8.61 0.22 0
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225130 85741905 1 ClNO2C19H30 ABC2D19E30 -113.68 3.61 -8.24 0.26 0
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225131 85741909 2 C10H13 A10B13 7.04 1.05 -8.38 0.54 0
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225132 85741923 1 PN3O4C8H12 AB3C4D8E12 -143.27 3.7 -9.67 -0.53 0
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225133 85741925 2 C10H13 A10B13 16.4 0.91 -8.7 0.5 0
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225134 85741926 1 CClO4N9 ABC4D9 240.64 4.22 -11.66 -4.76 1
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225135 85741927 1 CN9 AB9 238.08 0.19 0.0 0.0 0