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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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220976 85248067 1 NOC17H17 ABC17D17 5.58 1.85 -9.19 0.18 0
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220977 85248068 1 NOC17H17 ABC17D17 80.32 3.48 -9.22 -0.36 0
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220980 85248083 1 SO3C13H16 AB3C13D16 -94.34 1.13 -9.0 -0.19 0
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220981 85248084 3 OC5H8 AB5C8 -143.18 3.63 -9.64 -0.22 0
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220982 85248088 1 OSiC15H28 ABC15D28 -104.34 3.08 -8.66 0.83 0
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220983 85248093 1 NO4C13H19 AB4C13D19 -157.61 4.4 -9.42 -0.96 0
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220984 85248096 1 NOC17H19 ABC17D19 -0.1 5.41 -9.09 -0.74 0
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220985 85248106 1 N2O2H14C15 A2B2C14D15 11.68 4.85 -8.46 -0.51 0
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220986 85248131 1 BrOC12H15 ABC12D15 -38.75 0.86 -9.55 -0.26 0
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220987 85248132 1 O2N3C14H19 A2B3C14D19 -37.69 3.68 -8.9 -0.21 0
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220988 85248137 1 NO2C16H17 AB2C16D17 -64.69 5.0 -8.25 -0.8 0
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220989 85248139 1 SN3H13C14 AB3C13D14 97.0 7.19 -8.79 -0.77 0
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220990 85248140 1 NO3C14H25 AB3C14D25 -189.22 7.1 -10.23 0.6 0
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220991 85248145 1 N2O5C11H16 A2B5C11D16 -191.82 2.6 -10.12 -0.49 0
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220992 85248149 1 ON6H10C12 AB6C10D12 112.85 5.36 -9.11 -1.88 0
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220993 85248150 1 O5C13H20 A5B13C20 -228.75 3.85 -10.09 0.38 0
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220994 85248155 2 O2C7H12 A2B7C12 -200.3 1.49 -9.98 0.08 0
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220995 85248160 1 SiO4C12H20 AB4C12D20 -158.11 2.73 -9.81 -0.6 0
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220996 85248162 1 SiO2C14H28 AB2C14D28 -133.62 2.74 -8.79 0.74 0
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220997 85248166 1 N3O6C9H11 A3B6C9D11 -222.08 5.96 -10.49 -1.17 0
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220998 85248167 1 NO4H11C14 AB4C11D14 -22.79 3.47 -9.02 -1.14 0
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220999 85248169 1 O2N5H11C12 A2B5C11D12 37.21 5.43 -10.08 -1.54 0
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221000 85248172 1 NO3C15H15 AB3C15D15 -67.77 1.61 -9.17 -0.84 0
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221001 85248173 1 NO3C15H15 AB3C15D15 -65.69 5.49 -9.6 -0.1 0
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221002 85248175 1 OSN3C13H17 ABC3D13E17 -4.71 4.12 -9.29 -0.16 0
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221003 85248177 1 NO4C13H23 AB4C13D23 -97.84 1.18 -9.51 -0.08 0
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221004 85248178 1 NO4C13H23 AB4C13D23 -196.15 2.02 -10.21 0.25 0
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221005 85248181 1 NO2C16H19 AB2C16D19 -72.66 2.85 -8.63 -0.41 0
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221006 85248182 1 SO2N3C11H19 AB2C3D11E19 -87.01 3.36 -9.04 -0.48 0
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221008 85248185 1 IOH7C9 ABC7D9 26.48 3.48 -9.8 -1.52 1
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221009 85248188 1 O2N6C11H13 A2B6C11D13 71.73 3.34 0.0 0.0 0
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221010 85248189 1 O4C15H20 A4B15C20 -180.65 3.7 -9.47 -0.06 0
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221011 85248203 1 SiO3C13H26 AB3C13D26 -144.92 2.38 -9.82 0.93 0
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221012 85248205 1 SiC17H26 AB17C26 -9.95 0.66 -8.3 0.29 0
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221013 85248207 2 ClOC6H6 ABC6D6 -80.54 4.13 -9.65 -0.68 0
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221014 85248209 1 NF3O4C9H16 AB3C4D9E16 -365.72 8.46 -11.13 -0.47 0
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221015 85248211 1 NO6C11H17 AB6C11D17 -256.18 3.01 -9.59 0.04 0
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221016 85248212 1 NO6C11H17 AB6C11D17 -290.51 8.46 -10.48 -0.48 0
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221017 85248215 1 FN3O3C11H20 AB3C3D11E20 -203.8 3.99 -9.61 -0.17 0
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221018 85248216 1 NO5C12H21 AB5C12D21 -242.22 4.29 -10.02 0.21 0
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221019 85248227 1 NO2C16H21 AB2C16D21 -42.42 2.42 -9.21 0.2 0
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221020 85248229 1 NSiO2C14H17 ABC2D14E17 7.5 3.8 -9.36 -0.5 0
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221021 85248230 1 F3O3H11C12 A3B3C11D12 -255.82 2.92 -10.06 -1.13 0
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221022 85248237 1 O4C15H16 A4B15C16 -60.63 1.6 -9.01 0.48 0
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221023 85248254 1 OSiC16H24 ABC16D24 -48.21 2.12 -9.05 0.5 0
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221024 85256147 3 OH4C5 AB4C5 -70.07 8.08 -9.44 -1.2 0
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221025 85256149 1 N2O4C11H16 A2B4C11D16 -160.39 2.8 -9.99 -0.92 0
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221026 85256150 1 N2O4C11H18 A2B4C11D18 -199.15 4.73 -10.1 -0.1 0
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221027 85256151 1 N2O4C11H18 A2B4C11D18 -200.72 5.52 -10.26 -0.13 0
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221031 85256505 1 OSC16H20 ABC16D20 -17.88 3.83 -8.89 -0.33 0