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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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52310 12015137 1 NOC12H17 ABC12D17 -2.32 4.62 -10.28 -0.36 0
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52311 12015138 2 OC7H10 AB7C10 -97.85 6.01 -9.37 -0.3 0
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52312 12015139 1 NOC14H21 ABC14D21 -29.25 5.44 -9.88 0.08 0
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52313 12015140 1 NOC12H19 ABC12D19 -42.57 4.34 -10.01 0.6 0
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52314 12015141 1 NOC12H19 ABC12D19 -44.93 5.13 -9.97 0.6 0
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52315 12015142 1 NOC8H11 ABC8D11 11.34 5.38 -10.42 -0.32 0
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52316 12015143 1 O2C17H18 A2B17C18 -51.3 3.47 -9.53 -0.04 0
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52317 12015144 1 N2O3C18H18 A2B3C18D18 -3.81 10.13 -8.54 -1.52 0
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52318 12015145 1 BNSO4C18H24 ABCD4E18F24 -206.42 7.08 -8.82 -0.81 0
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52319 12015146 1 BNO2C12H20 ABC2D12E20 -160.19 1.28 -8.54 1.34 0
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52320 12015147 1 BrPSH20C23 ABCD20E23 86.13 5.42 -8.7 -0.19 0
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52321 12015148 1 NOF2C10H13 ABC2D10E13 -153.67 2.96 -9.62 0.75 0
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52322 12015149 1 NOF2C10H13 ABC2D10E13 -153.66 2.32 -9.61 0.65 0
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52323 12015154 1 NOC13H15 ABC13D15 -8.61 4.75 -9.61 0.12 0
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52324 12015155 1 FO2H11C15 AB2C11D15 -38.3 1.8 -9.83 -0.98 0
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52325 12015156 1 IC9H15 AB9C15 16.05 2.52 -9.36 -0.92 0
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52326 12015157 1 OC10H18 AB10C18 -42.84 1.91 -9.36 1.24 0
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52327 12015158 1 OC10H18 AB10C18 -26.48 1.94 -9.99 1.56 0
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52328 12015159 1 OSiC13H26 ABC13D26 -76.45 2.11 -9.72 0.92 0
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52329 12015160 1 BrOSiC13H25 ABCD13E25 -79.57 2.76 -9.52 0.25 0
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52330 12015161 1 BrOSi2C16H33 ABC2D16E33 -129.4 3.66 -9.45 0.32 0
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52331 12015162 1 OSiC14H30 ABC14D30 -110.38 2.11 -8.9 1.34 0
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52332 12015163 1 OSiC14H30 ABC14D30 -113.49 2.91 -8.82 1.26 0
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52333 12015164 1 OSi2C17H38 AB2C17D38 -143.52 2.37 -8.49 1.04 0
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52334 12015165 1 O2C9H18 A2B9C18 -46.68 1.18 -9.33 0.5 0
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52335 12015167 1 SO3C7H12 AB3C7D12 -110.59 3.22 -9.16 -0.23 0
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52336 12015168 1 SO4C11H22 AB4C11D22 -148.84 0.87 -8.82 0.08 0
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52337 12015169 1 SO3C7H12 AB3C7D12 -110.74 2.92 -9.12 -0.16 0
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52338 12015170 1 SO4C11H22 AB4C11D22 -146.01 2.49 -8.95 -0.03 0
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52339 12015171 1 SO3C8H14 AB3C8D14 -119.52 1.63 -9.16 -0.25 0
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52340 12015172 1 SO4C12H24 AB4C12D24 -155.99 3.73 -9.02 -0.06 0
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52341 12015173 1 SO3C8H14 AB3C8D14 -119.76 3.2 -9.11 -0.19 0
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52342 12015174 1 SO4C12H24 AB4C12D24 -153.41 2.57 -8.9 0.02 0
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52343 12015175 1 SO3C9H16 AB3C9D16 -128.18 3.04 -9.06 -0.14 0
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52344 12015176 1 SO4C13H26 AB4C13D26 -156.43 3.3 -8.79 0.07 0
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52345 12015177 1 OSC10H12 ABC10D12 5.81 1.73 -9.13 -0.31 1
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52346 12015182 1 OC16H27 AB16C27 -69.14 0.14 0.0 0.0 0
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52347 12015183 1 ClNO4C17H30 ABC4D17E30 -21.01 27.35 -10.59 -2.4 1
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52348 12015184 1 NC17H30 AB17C30 -30.89 1.81 0.0 0.0 1
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52349 12015188 1 NC22H32 AB22C32 -1.63 1.42 0.0 0.0 0
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52350 12015190 1 NO4H9C15 AB4C9D15 -94.51 9.25 -9.34 -1.43 0
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52351 12015191 1 NSO2C16H21 ABC2D16E21 -51.49 6.48 -8.44 -0.49 0
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52352 12015192 1 NSO6C19H21 ABC6D19E21 -206.59 6.29 -8.81 -0.59 0
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52353 12015193 1 NSO6C20H23 ABC6D20E23 -217.13 6.87 -8.51 -0.76 0
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52354 12015194 1 O3C13H18 A3B13C18 -131.1 4.39 -9.01 -0.37 0
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52355 12015195 1 NO5H7C8 AB5C7D8 -100.41 2.15 -10.47 -1.78 0
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52356 12015197 1 NCl2O4H9C12 AB2C4D9E12 -142.38 6.03 -10.54 -1.67 0
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52357 12015198 1 ClNO4H12C13 ABC4D12E13 -148.84 6.35 -10.45 -1.6 0
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52358 12015199 1 NO5C13H13 AB5C13D13 -171.49 5.83 -9.91 -1.59 0
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52359 12015200 1 ClO3C7H13 AB3C7D13 -153.91 2.63 -9.94 0.14 0