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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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382847 134974235 1 FO2C18H23 AB2C18D23 -150.37 5.26 -9.93 -0.15 0
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382848 134974236 2 OC9H11 AB9C11 -21.46 4.64 -8.3 -0.33 0
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382849 134974238 2 OC9H11 AB9C11 -28.55 4.98 -8.88 -0.13 0
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382850 134974239 1 N3O5C6H11 A3B5C6D11 -49.4 5.24 -9.81 -1.03 0
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382851 134974240 1 ON2C23H28 AB2C23D28 32.9 1.34 -8.31 0.23 0
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382852 134974241 1 NO3C7H9 AB3C7D9 -36.37 4.74 -10.62 -0.83 0
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382853 134974243 1 O4C21H40 A4B21C40 -252.05 3.19 -10.02 -0.24 0
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382854 134974245 1 NF3O3C8H10 AB3C3D8E10 -277.9 4.25 -10.26 -0.51 0
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382855 134974246 1 N3O3C18H19 A3B3C18D19 -45.53 4.55 -8.76 -0.3 0
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382856 134974247 1 N2O3H16C18 A2B3C16D18 -43.92 4.0 -9.66 -0.83 0
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382858 134974252 1 N2S2O4C23H36 A2B2C4D23E36 -170.83 5.46 -8.26 -0.02 0
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382859 134974255 1 ClOSH2N5C7 ABCD2E5F7 98.79 5.73 -9.36 -2.27 0
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382860 134974256 1 OSN5C14H17 ABC5D14E17 43.27 6.58 -8.66 -0.64 0
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382861 134974257 1 NSO6C19H19 ABC6D19E19 -213.78 4.9 -9.73 -0.7 0
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382862 134974258 1 O3H10C17 A3B10C17 -16.88 3.35 -9.81 -1.49 0
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382863 134974261 1 NO3C19H23 AB3C19D23 -52.33 2.88 -9.02 0.14 0
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382864 134974262 1 NO2C14H21 AB2C14D21 -49.38 2.46 -9.08 -0.28 0
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382866 134974264 1 LiNO2C23H28 ABC2D23E28 -61.21 9.32 -7.85 0.74 0
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382867 134974265 1 NO2C23H29 AB2C23D29 -31.68 3.88 -8.73 0.41 0
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382868 134974266 1 SC20H22 AB20C22 25.08 2.15 -8.32 -0.21 0
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382869 134974267 1 SC20H20 AB20C20 31.2 2.34 -8.18 -0.17 0
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382870 134974268 1 N2O5C21H30 A2B5C21D30 -244.32 2.91 -9.36 0.03 0
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382871 134974270 1 Si2O3C19H44 A2B3C19D44 -216.7 1.22 -8.95 -0.23 0
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382872 134974273 1 N5O9C24H27 A5B9C24D27 -258.84 2.1 -9.8 -1.02 0
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382873 134974274 1 NO4H29C30 AB4C29D30 -7.37 9.11 -9.16 -1.36 0
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382874 134974275 1 NO2C30H31 AB2C30D31 -4.0 2.48 -8.19 -0.28 1
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382875 134974277 1 NOSC7H10 ABCD7E10 5.5 3.25 0.0 0.0 0
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382876 134974279 1 NO6C18H25 AB6C18D25 -221.57 1.98 -9.23 0.26 0
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382877 134974281 1 NO4C18H19 AB4C18D19 -126.5 4.69 -9.76 -0.22 0
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382878 134974282 1 O4C19H24 A4B19C24 -159.54 5.44 -9.37 0.37 0
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382879 134974285 1 NO4C14H17 AB4C14D17 -76.69 5.24 -10.2 -1.27 0
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382880 134974288 1 SiO3C23H30 AB3C23D30 -155.93 2.44 -8.81 -0.63 0
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382881 134974289 1 O3C17H24 A3B17C24 -95.76 3.75 -9.45 0.32 0
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382882 134974290 1 NO2C23H27 AB2C23D27 28.54 3.19 -8.85 0.05 -1
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382883 134974291 1 TiO2H17C21 AB2C17D21 5.57 3.83 0.0 0.0 0
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382884 134974292 1 O2C13H18 A2B13C18 -88.3 1.68 -9.44 0.29 0
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382885 134974294 1 O4H14C19 A4B14C19 -83.27 5.48 -9.44 -1.45 0
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382886 134974295 1 SiO4C20H24 AB4C20D24 -186.51 0.85 -9.55 -1.56 0
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382887 134974296 1 O4H16C17 A4B16C17 -131.61 1.0 -9.81 -1.67 0
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382888 134974299 2 O8C14H19 A8B14C19 -684.05 3.26 -10.2 0.39 2
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382889 134974305 1 N2O3C29H40 A2B3C29D40 -75.87 3.96 -6.21 -0.18 0
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382890 134974311 1 CuSi2N4O6C19H40 AB2C4D6E19F40 -183.59 4.27 0.0 0.0 0
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382891 134974312 1 N2O3C16H22 A2B3C16D22 -127.76 2.09 -9.22 0.18 0
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382892 134974316 1 SiSnF2C20H42 ABC2D20E42 -173.61 0.41 -9.3 0.63 0
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382893 134974319 1 ON2C19H22 AB2C19D22 6.43 4.82 -8.96 0.37 0
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382894 134974324 1 ON2C21H26 AB2C21D26 -2.93 4.98 -8.92 0.41 0
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382895 134974326 1 O5H32C34 A5B32C34 -40.42 0.61 -8.67 -0.21 0
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382896 134974327 2 OC6H10 AB6C10 -88.52 1.94 -10.14 -0.5 0
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382897 134974328 3 C9H16 A9B16 -100.19 0.12 -9.87 3.74 0
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382898 134974329 1 FC27H47 AB27C47 -154.46 2.26 -10.07 3.14 0