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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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40203 8143746 1 SN4O4C7H10 AB4C4D7E10 -142.47 4.78 -9.41 -1.35 0
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40204 8143748 1 OSN5C22H23 ABC5D22E23 57.6 3.1 -8.43 -1.05 0
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40205 8143750 1 SN5C18H19 AB5C18D19 113.76 1.66 -8.34 -0.96 0
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40206 8143752 1 FSN4C16H19 ABC4D16E19 45.9 5.21 -8.16 -0.77 1
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40207 8143753 1 SO2N5C22H22 AB2C5D22E22 76.49 13.86 0.0 0.0 0
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40208 8143754 1 SO2N5H21C22 AB2C5D21E22 63.02 4.06 -8.79 -1.28 1
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40209 8143755 1 F2N3O3C18H24 A2B3C3D18E24 -198.63 5.63 0.0 0.0 0
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40210 8143756 1 F2N3O3C18H23 A2B3C3D18E23 -223.0 2.57 -9.35 -0.22 1
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40211 8143757 1 F2N3O3C18H24 A2B3C3D18E24 -201.89 3.63 0.0 0.0 0
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40212 8143758 1 F2N3O3C18H23 A2B3C3D18E23 -222.58 3.32 -9.25 -0.21 1
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40213 8143760 1 O2N4C22H23 A2B4C22D23 41.57 7.77 0.0 0.0 1
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40214 8143762 1 OSN4C12H15 ABC4D12E15 67.46 9.45 0.0 0.0 0
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40215 8143763 1 OSN4C12H14 ABC4D12E14 47.42 2.89 -8.83 -1.26 1
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40216 8143764 1 Cl2N2O2C13H13 A2B2C2D13E13 -54.27 14.81 0.0 0.0 0
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40217 8143765 1 Cl2N2O2H12C13 A2B2C2D12E13 -59.68 1.44 -9.26 -1.73 1
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40218 8143766 1 SN4C16H21 AB4C16D21 109.15 4.91 0.0 0.0 0
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40219 8143768 1 O3N4C23H30 A3B4C23D30 -114.8 5.54 -8.64 -0.4 1
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40220 8143769 1 SO2N4C21H25 AB2C4D21E25 45.63 5.89 0.0 0.0 0
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40221 8143770 1 SO2N4C21H24 AB2C4D21E24 22.46 4.9 -8.35 -0.37 1
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40222 8143771 1 FSN4C14H18 ABC4D14E18 41.82 4.57 0.0 0.0 0
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40223 8143774 1 FSN4C14H17 ABC4D14E17 25.63 5.2 -8.15 -0.8 0
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40224 8143775 1 SN2O3C16H18 AB2C3D16E18 -48.7 5.12 -8.29 -0.84 0
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40225 8143777 1 SO2N4C16H22 AB2C4D16E22 -3.12 5.65 -8.22 -0.25 0
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40226 8143778 1 N3O4C19H21 A3B4C19D21 -78.03 2.6 -8.54 -0.51 1
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40227 8143779 1 ON3C18H24 AB3C18D24 -3.88 8.89 0.0 0.0 0
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40228 8143780 1 ON3C18H23 AB3C18D23 -22.6 7.43 -9.12 -0.52 1
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40229 8143781 1 SN5C19H22 AB5C19D22 125.96 4.72 0.0 0.0 0
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40230 8143782 1 SN5C19H21 AB5C19D21 108.29 2.35 -8.4 -0.78 1
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40231 8143783 1 ClSN4C20H22 ABC4D20E22 106.88 4.75 0.0 0.0 0
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40232 8143784 1 ClSN4C20H21 ABC4D20E21 87.25 2.4 -8.35 -0.77 1
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40233 8143785 1 SN4C17H23 AB4C17D23 102.6 5.06 0.0 0.0 0
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40234 8143786 1 SN4C17H22 AB4C17D22 84.85 4.18 -8.2 -0.15 1
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40235 8143788 1 ON3C18H24 AB3C18D24 -2.8 9.05 0.0 0.0 0
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40236 8143789 1 ON3C18H23 AB3C18D23 -22.59 7.27 -9.12 -0.52 0
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40237 8143790 1 SN2O3C22H22 AB2C3D22E22 -89.38 2.48 -8.7 -0.49 1
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40238 8143791 1 OSN3C20H28 ABC3D20E28 -30.83 7.5 0.0 0.0 0
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40239 8143792 1 OSN3C20H27 ABC3D20E27 -47.6 3.29 -8.53 -0.76 1
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40240 8143793 1 ClOSN4C21H24 ABCD4E21F24 71.82 2.81 0.0 0.0 0
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40241 8143797 1 OSN3C20H27 ABC3D20E27 -47.57 3.13 -8.54 -0.77 0
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40242 8143799 1 FOSN3C13H14 ABCD3E13F14 -8.95 5.77 -8.63 -1.1 1
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40243 8143800 1 SN3O3C15H20 AB3C3D15E20 -14.88 10.63 0.0 0.0 0
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40244 8143801 1 SN3O3C15H19 AB3C3D15E19 -37.92 2.98 -8.76 -0.42 0
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40245 8143805 1 OSN3C22H25 ABC3D22E25 -1.59 4.2 -8.7 -0.9 1
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40246 8143806 1 SO2N5C22H24 AB2C5D22E24 49.26 11.96 0.0 0.0 0
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40247 8143807 1 SO2N5C22H23 AB2C5D22E23 30.46 3.14 -8.42 -1.0 1
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40248 8143808 1 OS2N3C11H14 AB2C3D11E14 63.23 9.62 0.0 0.0 1
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40249 8143810 1 ClOSN4C14H18 ABCD4E14F18 52.69 18.53 0.0 0.0 1
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40250 8143812 1 BrSN4C13H16 ABC4D13E16 83.86 12.02 0.0 0.0 0
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40251 8143813 1 BrSN4C13H15 ABC4D13E15 84.52 7.39 -8.35 -1.39 1
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40252 8143814 1 BrON3C19H21 ABC3D19E21 54.43 5.36 0.0 0.0 0