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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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2169 6086 1 NO2C17H25 AB2C17D25 -74.61 3.78 -8.11 0.24 0
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2170 6088 1 N2C11H14 A2B11C14 34.37 3.11 -8.34 0.11 0
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2171 6095 1 O2N8C19H22 A2B8C19D22 20.8 5.09 -9.23 -1.34 0
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2172 6103 1 ClON2H5C7 ABC2D5E7 6.87 3.77 -9.15 -0.71 0
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2173 6104 1 AuSO5C6H11 ABC5D6E11 -164.73 3.11 -9.3 -1.96 0
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2174 6110 1 ClHgN2O2C5H11 ABC2D2E5F11 -107.69 4.9 -9.51 -0.33 0
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2175 6112 2 OSC4H7 ABC4D7 -109.8 5.28 -8.27 -0.93 0
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2176 6113 1 SC3O3H8 AB3C3D8 -139.42 3.64 -11.0 0.21 0
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2177 6117 1 NSC2H5 ABC2D5 12.08 3.97 -9.22 0.16 0
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2178 6122 1 NO3C19H21 AB3C19D21 -57.72 3.24 -8.72 -0.1 0
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2179 6127 1 NC20H24 AB20C24 77.11 1.27 0.0 0.0 1
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2180 6133 1 N2P3C9H15O15 A2B3C9D15E15 -843.68 5.48 -10.16 -0.95 0
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2182 6160 1 FNOC18H24 ABCD18E24 -86.04 3.92 -8.99 -0.46 0
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2183 6166 3 OC7H10 AB7C10 -154.13 3.26 -9.8 -0.01 0
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2184 6171 1 ClNO3C8H10 ABC3D8E10 -134.91 3.31 -9.78 -1.59 0
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2186 6182 1 ClN2C9H15 AB2C9D15 -7.49 1.32 -8.64 0.02 0
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2188 6188 1 N2C31H60 A2B31C60 58.74 0.49 -1.91 -0.4 2
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2189 6189 1 I2N2C29H56 A2B2C29D56 -36.4 32.44 -5.95 -0.9 0
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2190 6190 1 N2C29H56 A2B29C56 63.12 0.84 -1.92 -0.46 2
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2191 6191 1 N2H4O5C6 A2B4C5D6 -23.35 6.34 -10.6 -2.2 0
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2192 6192 1 I2N2C25H48 A2B2C25D48 -40.11 10.44 -7.14 -0.21 0
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2193 6194 1 Cl2O2N3C8H11 A2B2C3D8E11 -98.17 4.37 -9.72 -1.07 0
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2194 6197 1 NO4C15H23 AB4C15D23 -218.26 4.25 -10.15 -0.07 0
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2195 6198 1 ClON2C11H15 ABC2D11E15 -39.08 4.33 -8.27 -0.31 0
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2196 6202 1 OSCl2N4C12H18 ABC2D4E12F18 -41.19 8.85 -8.17 -1.6 0
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2197 6208 3 OC2H2 AB2C2 -71.44 4.42 -9.27 -0.67 0
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2198 6209 1 ClNOC5H14 ABCD5E14 -73.07 8.55 -8.63 0.39 0
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2199 6210 1 N2C5H8 A2B5C8 22.83 2.59 -9.31 0.91 0
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2200 6219 1 NO2C19H35 AB2C19D35 -149.81 1.4 -8.73 1.09 0
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2201 6223 1 N2S2O4C13H14 A2B2C4D13E14 -93.19 2.2 -8.39 -1.9 0
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2202 6224 1 Na3H5C6O7 A3B5C6D7 -485.62 6.43 -8.96 0.64 0
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2203 6225 1 INC8H20 ABC8D20 -19.73 14.43 -7.03 -0.06 0
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2204 6233 2 H2Cl3C4 A2B3C4 -22.46 0.34 -10.56 -1.48 0
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2205 6235 1 O2N3C12H13 A2B3C12D13 66.07 1.65 -8.86 -1.81 0
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2206 6245 1 N4O4C11H14 A4B4C11D14 -123.65 3.48 -8.94 -0.54 0
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2207 6252 1 ClN3O5C9H14 AB3C5D9E14 -226.33 5.02 -9.76 -0.55 0
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2208 6255 1 O11C12H22 A11B12C22 -494.43 0.71 -10.21 0.63 0
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2209 6261 1 C2O3H5N5 A2B3C5D5 31.68 5.26 -10.68 -1.54 0
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2210 6268 1 SC4O4H6 AB4C4D6 -178.16 4.48 -10.21 -1.0 0
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2211 6272 1 INO3C9H10 ABC3D9E10 -91.67 2.08 -9.42 -1.14 0
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2212 6280 1 NO11C36H51 AB11C36D51 -466.16 4.91 -8.82 -0.68 0
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2213 6281 1 O13C41H64 A13B41C64 -638.78 11.35 -9.78 -0.17 0
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2214 6284 1 ION2C23H33 ABC2D23E33 -11.13 12.09 -7.08 -0.17 0
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2215 6286 1 NaC3O3H5 AB3C3D5 -180.22 7.6 -9.41 0.27 0
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2216 6287 1 NO2C5H11 AB2C5D11 -106.4 5.56 -10.3 0.76 0
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2217 6291 1 O2C21H26 A2B21C26 -39.77 3.68 -8.53 0.35 0
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2218 6294 2 Cl2H5C7 A2B5C7 6.61 0.49 -9.59 -0.56 0
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2219 6295 2 ClC9H10 AB9C10 -1.84 2.98 -9.18 0.14 0
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2220 6312 1 SCl2O4N6C20H30 AB2C4D6E20F30 -118.07 11.58 -8.83 -0.64 0
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2221 6316 1 ClN2O3C11H17 AB2C3D11E17 -76.52 5.7 -9.33 -1.38 0