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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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4873 12210 1 OC8H16 AB8C16 -76.59 3.04 -9.93 0.8 0
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4874 12211 1 NC3O5H7 AB3C5D7 -128.61 3.26 -10.82 -1.19 0
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4875 12212 1 NOC7H15 ABC7D15 -38.48 1.65 -9.64 0.98 0
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4876 12213 1 ON3C5H11 AB3C5D11 -36.62 4.42 -9.22 0.5 0
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4877 12214 1 O5C6H12 A5B6C12 -242.31 3.94 -10.61 0.26 0
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4878 12215 2 O2C3H4 A2B3C4 -153.08 0.27 -11.25 -1.3 0
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4879 12216 1 OC9H20 AB9C20 -94.31 1.97 -10.27 2.9 0
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4880 12217 2 OC4H8 AB4C8 -123.77 1.94 -10.72 0.86 0
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4881 12218 1 ClNC3H10 ABC3D10 -50.47 5.85 -10.02 1.83 0
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4882 12219 1 NC3H9 AB3C9 -9.05 1.71 -8.88 3.15 0
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4883 12220 4 CH2 AB2 -3.17 0.08 -9.46 1.49 0
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4884 12223 2 CFH2 ABC2 -104.93 0.0 -12.47 2.29 0
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4885 12224 2 CIH2 ABC2 18.28 0.0 -10.05 -1.74 0
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4886 12225 1 IOC2H5 ABC2D5 -39.02 1.4 -10.07 -1.15 0
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4887 12226 1 NC3H5 AB3C5 38.44 3.37 -11.32 2.26 0
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4888 12227 1 CON2H4 ABC2D4 2.31 1.86 -9.2 0.65 0
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4889 12229 1 CON2H4 ABC2D4 -18.37 3.81 -10.3 0.58 0
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4890 12230 1 SC3H8 AB3C8 -11.86 1.74 -8.46 0.9 0
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4891 12232 2 CSH3 ABC3 -5.5 2.23 -8.88 -0.83 0
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4892 12234 1 NSC5H14 ABC5D14 16.29 3.48 0.0 0.0 1
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4893 12235 1 OC7H16 AB7C16 -89.08 1.91 -10.17 3.04 0
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4894 12237 1 NP2O6C7H19 AB2C6D7E19 -410.33 2.14 -9.63 0.49 0
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4895 12239 1 SO4C8H18 AB4C8D18 -198.44 3.68 -11.25 -0.67 0
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4896 12242 1 OC8H18 AB8C18 -93.26 1.92 -10.42 3.0 0
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4897 12243 6 CH2 AB2 -16.76 0.68 -9.14 1.6 0
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4898 12244 1 NC5H9 AB5C9 4.36 4.01 -11.84 1.38 0
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4899 12245 1 ClC5H11 AB5C11 -43.62 2.57 -10.52 1.01 0
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4900 12247 1 OC5H10 AB5C10 -48.65 2.03 -10.19 1.0 0
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4901 12248 1 OC5H8 AB5C8 -38.17 4.6 -10.08 -0.14 0
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4902 12249 1 NC5H13 AB5C13 -19.57 1.63 -8.84 3.12 0
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4903 12250 1 OC5H12 AB5C12 -62.94 1.64 -9.63 2.28 0
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4904 12251 3 COH2 ABC2 -128.12 5.54 -10.91 0.51 0
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4905 12252 1 NC2O3H5 AB2C3D5 -59.57 3.11 -11.28 -0.78 0
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4906 12256 1 OC5H12 AB5C12 -67.3 1.45 -9.62 2.4 0
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4907 12257 2 OC2H4 AB2C4 -100.83 2.2 -10.99 0.6 0
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4908 12258 1 NOSC3H7 ABCD3E7 -32.98 3.89 -9.42 -0.35 0
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4909 12259 1 NC2O3H5 AB2C3D5 -43.86 3.47 -11.72 -0.94 0
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4910 12260 7 CH2 AB2 -23.01 0.66 -9.16 1.59 0
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4911 12262 1 O2C5H12 A2B5C12 -122.03 3.0 -10.42 2.67 0
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4912 12263 1 NO2C4H7 AB2C4D7 -104.35 2.9 -10.74 0.03 0
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4913 12266 1 OC6H8 AB6C8 -28.42 0.53 -8.75 0.89 0
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4914 12270 2 IH2C3 AB2C3 56.85 1.38 -9.56 -1.23 0
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4915 12272 1 IOH5C6 ABC5D6 -4.48 2.67 -9.38 -0.96 0
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4916 12273 1 NO2C5H5 AB2C5D5 -54.46 8.1 -9.46 -0.16 0
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4917 12274 1 NBr2H3C5 AB2C3D5 23.19 3.52 -10.02 -0.94 0
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4918 12275 2 ClC4H4 AB4C4 -5.18 0.93 -9.78 -0.43 0
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4919 12276 2 NH2C4 AB2C4 88.51 3.83 -10.7 -1.35 0
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4920 12277 1 NC8H19 AB8C19 -37.12 1.37 -8.63 3.2 0
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4921 12278 1 O2C7H14 A2B7C14 -122.84 2.16 -10.89 0.91 0
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4922 12283 1 N2O2C5H6 A2B2C5D6 -88.8 5.67 -10.15 -0.54 0
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4923 12284 2 O2C3H5 A2B3C5 -196.25 6.17 -10.95 -0.15 0
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4924 12285 1 O3C7H10 A3B7C10 -137.24 1.69 -10.42 0.28 0
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4925 12286 1 BrNH4C5 ABC4D5 36.9 2.09 -10.0 -0.62 0
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4926 12291 1 NC6H13 AB6C13 -16.09 1.63 -8.53 3.01 0
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4927 12292 1 O4C7H12 A4B7C12 -198.84 2.47 -11.0 0.3 0
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4928 12293 1 O2C9H18 A2B9C18 -129.43 1.68 -10.79 0.86 0
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4929 12294 2 OC5H10 AB5C10 -133.81 2.07 -10.72 0.84 0
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4930 12297 1 OC6H14 AB6C14 -81.36 2.04 -10.41 2.93 0
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4931 12298 1 NOC5H11 ABC5D11 -68.52 3.87 -10.43 1.18 0
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4932 12299 1 O2C5H8 A2B5C8 -83.82 5.8 -10.91 -0.16 0
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4933 12300 1 ClO2C4H7 AB2C4D7 -111.3 3.93 -10.82 0.44 0
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4934 12301 1 O3C4H8 A3B4C8 -135.21 5.8 -10.79 0.57 0
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4935 12303 1 ON2C4H10 AB2C4D10 -61.3 3.65 -9.94 1.19 0
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4936 12304 1 OC6H14 AB6C14 -72.5 1.49 -9.63 2.36 0
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4937 12305 1 Cl2O2C3H4 A2B2C3D4 -105.31 2.58 -11.0 -0.87 0
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4938 12307 1 NC3O3H7 AB3C3D7 -48.88 3.58 -11.66 -0.95 0
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4939 12308 1 BrOC3H7 ABC3D7 -58.44 1.94 -10.53 -0.12 0
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4940 12310 1 C5H8 A5B8 30.77 0.19 -9.95 2.04 0
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4941 12311 1 ClC4H5 AB4C5 19.25 1.62 -9.51 -0.22 0
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4942 12312 1 ClC4H5 AB4C5 23.27 2.24 -9.8 0.14 0
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4943 12314 1 I2C3H6 A2B3C6 14.41 1.42 -9.94 -1.18 0
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4944 12315 1 NC4H11 AB4C11 -14.04 1.75 -8.9 3.1 0
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4945 12317 1 FOC3H7 ABC3D7 -97.9 0.36 -10.05 1.99 0
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4947 12321 1 SC4H6 AB4C6 35.12 1.23 -8.48 0.5 0
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4948 12322 2 C4H7 A4B7 -1.35 1.45 -9.59 1.28 0