List Systems

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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
339279 127260658 1 ClO2C14H15 AB2C14D15 -61.85 5.56 -8.72 -0.27 0
339280 127260659 1 O2C9H16 A2B9C16 -115.49 2.42 -9.7 0.41 0
339281 127260660 1 O2C9H16 A2B9C16 -114.01 2.26 -9.66 0.46 0
339282 127261073 1 N3O3C17H21 A3B3C17D21 -43.53 3.21 -8.99 -0.84 0
339283 127261074 1 N3O3C15H17 A3B3C15D17 -38.66 1.88 -8.88 -0.86 0
339284 127261075 1 BrN3O3C14H14 AB3C3D14E14 -26.81 5.15 -9.33 -1.1 0
339285 127261119 1 N3O4C15H17 A3B4C15D17 -76.69 4.23 -9.25 -1.05 0
339286 127261120 1 N3O4C17H21 A3B4C17D21 -77.73 5.39 -8.96 -0.92 0
339287 127261121 1 BrN3O4C14H14 AB3C4D14E14 -61.97 5.72 -9.39 -1.13 0
339288 127261122 1 ClN3O4C14H14 AB3C4D14E14 -71.11 7.06 -9.34 -1.13 0
339289 127261123 1 N3O4C15H15 A3B4C15D15 -41.67 4.09 -9.09 -0.9 0
339290 127261124 1 N3O4H13C15 A3B4C13D15 -10.3 3.99 -9.08 -0.9 0
339291 127261125 1 ClN3O3H16C19 AB3C3D16E19 -11.32 2.62 -9.24 -0.98 0
339292 127261126 1 ClSN3C10H12 ABC3D10E12 42.29 7.14 -8.51 -0.46 0
339293 127261127 2 N2O3H7C9 A2B3C7D9 -29.55 10.23 -9.4 -1.45 0
339294 127261128 1 N4O5H16C19 A4B5C16D19 -6.05 6.66 -9.35 -1.4 0
339295 127261129 1 O3N4C16H20 A3B4C16D20 -40.66 2.62 -8.88 -0.92 0
339296 127261130 1 N3O4H13C14 A3B4C13D14 -36.59 4.65 -9.08 -0.99 0
339297 127261131 1 O3N4C14H16 A3B4C14D16 -27.5 4.5 -8.98 -0.82 0
339298 127261132 1 SN3O3C14H15 AB3C3D14E15 -26.13 3.52 -9.04 -0.87 0
339299 127261133 1 SN3O3C19H25 AB3C3D19E25 -52.61 3.82 -8.99 -0.93 0
339300 127261134 1 O3N4C13H14 A3B4C13D14 -24.76 3.38 -9.14 -0.9 0
339301 127261135 1 SN3O3C13H13 AB3C3D13E13 -20.29 3.47 -9.0 -0.93 0
339302 127261136 1 SN3O3C17H21 AB3C3D17E21 -41.11 4.2 -9.12 -0.94 0
339303 127261137 1 O3N4H16C18 A3B4C16D18 5.91 5.42 -8.85 -1.09 0
339304 127261138 1 N3O4H17C19 A3B4C17D19 -32.37 5.5 -9.02 -0.96 0
339305 127261139 1 O3N4C15H18 A3B4C15D18 -36.73 1.87 -8.89 -0.86 0
339306 127261140 1 SN3O3C15H17 AB3C3D15E17 -32.37 3.18 -9.03 -0.93 0
339307 127261141 1 ClOC6N6H9 ABC6D6E9 49.53 1.87 -9.81 -0.62 0
339308 127261142 1 IO2N3H10C11 AB2C3D10E11 31.03 1.55 -8.99 -1.03 0
339309 127261143 1 N4O4H10C11 A4B4C10D11 10.52 5.4 -9.42 -1.65 0
339310 127261144 1 ON2F3C9H9 AB2C3D9E9 -132.38 5.36 -9.4 -0.82 0
339311 127261145 2 NC8H9 AB8C9 52.99 2.32 -8.23 0.1 0
339312 127261146 2 NC6H8 AB6C8 54.64 1.59 -8.41 0.26 0
339313 127261147 1 SiN2C12H20 AB2C12D20 6.61 1.6 -8.16 0.34 0
339314 127261148 1 NOCl5H8C10 ABC5D8E10 -44.19 3.61 -9.63 -0.8 0
339315 127261149 1 NOSC10H13 ABCD10E13 -6.86 0.1 -8.29 -0.12 0
339316 127261150 1 ClOSN2C9H11 ABCD2E9F11 20.58 3.21 -8.73 -0.82 0
339317 127261151 1 N2S2F3H7C10 A2B2C3D7E10 -85.52 4.9 -9.24 -1.61 0
339318 127261152 1 NSO2Cl3H8C10 ABC2D3E8F10 -53.69 6.98 -10.14 -1.28 0
339319 127261153 1 OC14H18 AB14C18 -34.11 2.64 -8.67 0.67 0
339320 127261154 1 O2N3C11H19 A2B3C11D19 -35.48 6.89 -8.26 -0.45 0
339321 127261155 2 NOC7H10 ABC7D10 -34.74 2.67 -7.97 -0.16 0
339322 127261156 1 O4C15H22 A4B15C22 -173.13 4.08 -9.25 -0.45 0
339323 127261157 1 SBr2O4H14C15 AB2C4D14E15 -112.67 3.79 -9.37 -0.77 0
339324 127261158 1 ClSO4C11H15 ABC4D11E15 -170.56 6.02 -9.75 -0.62 0
339325 127261159 1 SO5C13H20 AB5C13D20 -206.08 5.94 -9.57 -0.47 0
339326 127261160 1 O4C13H18 A4B13C18 -154.04 3.03 -9.23 -0.33 0
339327 127261161 1 NO4C17H19 AB4C17D19 -125.75 4.3 -8.92 -0.15 0
339328 127261162 1 NO3C12H15 AB3C12D15 -97.37 5.65 -8.85 -0.07 0
339329 127261163 1 SO4C12H16 AB4C12D16 -142.86 7.47 -9.58 -0.49 0
339330 127261164 1 SO5H20C21 AB5C20D21 -131.91 6.22 -9.14 -0.58 0
339331 127261165 1 SO4C11H14 AB4C11D14 -136.25 6.15 -9.48 -0.57 0
339332 127261166 1 NO3C11H13 AB3C11D13 -90.0 1.58 -8.87 -0.23 0
339333 127261167 1 SO4C15H24 AB4C15D24 -185.41 6.53 -9.48 -0.42 0
339334 127261168 1 SeO3C9H10 AB3C9D10 -109.33 2.56 -9.14 -1.19 0
339335 127261169 1 O4C13H18 A4B13C18 -159.5 4.02 -9.24 -0.46 0
339336 127261170 1 SiO5C15H24 AB5C15D24 -307.81 3.57 -9.14 0.3 0
339337 127261171 1 NSiO2C12H19 ABC2D12E19 -113.53 3.06 -8.58 0.0 0
339338 127261172 1 NSiO4C12H17 ABC4D12E17 -115.52 5.64 -10.23 -1.45 0
339339 127261235 1 NO3C9H11 AB3C9D11 -56.49 1.33 -8.77 -0.02 0
339340 127261236 1 NO2C23H39 AB2C23D39 -90.42 0.43 -8.44 0.18 0
339341 127261237 1 NO3C11H15 AB3C11D15 -64.39 1.63 -8.4 0.13 0
339342 127261238 1 NO2C13H13 AB2C13D13 -49.57 3.7 -8.42 -0.41 0
339343 127261239 1 N2O4C9H10 A2B4C9D10 -29.26 6.04 -9.02 -1.44 0
339344 127261240 1 NO2C9H11 AB2C9D11 -22.86 2.92 -8.58 0.02 0
339345 127261241 2 NO2C4H4 AB2C4D4 -19.75 6.7 -9.76 -1.35 0
339346 127261242 1 NO2C17H27 AB2C17D27 -62.53 2.98 -8.6 0.01 0
339347 127261243 1 NO2C16H25 AB2C16D25 -57.5 2.97 -8.59 0.03 0
339348 127261244 1 NO2C8H9 AB2C8D9 -9.97 1.03 -8.98 -0.1 0
339349 127261245 1 ON2C11H12 AB2C11D12 39.76 2.25 -8.15 0.1 0
339350 127261246 1 ON3C7H9 AB3C7D9 40.21 3.02 -9.82 -0.34 0
339351 127261247 1 OSN2C6H8 ABC2D6E8 37.22 1.37 -8.92 -0.46 0
339352 127261248 1 ON3C13H13 AB3C13D13 63.68 2.51 -9.52 -0.64 0
339353 127261249 1 ON3H11C12 AB3C11D12 73.12 3.54 -9.35 -0.76 0
339354 127261250 1 OSN2H10C11 ABC2D10E11 71.56 1.07 -8.81 -0.96 0
339355 127261251 1 NOSC6H7 ABCD6E7 33.23 2.15 -8.84 -0.03 0
339356 127261252 1 NOC10H13 ABC10D13 9.0 0.82 -8.47 0.43 0
339357 127261253 1 NBr2O3H7C8 AB2C3D7E8 -48.95 2.19 -8.78 -0.65 0
339358 127261254 1 NCl2O2H7C8 AB2C2D7E8 -29.58 4.63 -9.05 -0.69 0
339359 127261255 2 NOC5H5 ABC5D5 18.52 2.74 -8.31 -0.5 0
339360 127261256 1 N3C8H11 A3B8C11 47.43 1.24 -8.21 0.37 0
339361 127261257 1 BrNO2C9H10 ABC2D9E10 -18.8 4.52 -8.84 -0.39 0
339362 127261258 1 ClNO2C8H8 ABC2D8E8 -20.95 4.35 -9.0 -0.36 0
339363 127261259 1 FNOC8H8 ABCD8E8 -21.81 3.48 -9.15 -0.04 0
339364 127261260 1 N2O2C7H8 A2B2C7D8 -0.96 2.26 -9.05 -0.42 0
339365 127261261 1 NO2C13H13 AB2C13D13 8.18 3.51 -8.47 -0.44 0
339366 127261262 1 N2O3C6H8 A2B3C6D8 -1.63 6.95 -9.47 -0.44 0
339367 127261263 1 N2O3C8H8 A2B3C8D8 22.97 6.41 -9.54 -1.33 0
339368 127261264 1 N3O4C10H13 A3B4C10D13 -34.91 5.64 -8.49 -1.08 0
339369 127261265 1 OC17H26 AB17C26 -42.81 3.26 -8.6 0.6 0
339370 127261266 1 ON3C9H13 AB3C9D13 12.05 4.23 -7.71 0.21 0
339371 127261267 1 N3C8H11 A3B8C11 50.37 1.36 -7.81 0.3 0
339372 127261268 1 ClNOC9H10 ABCD9E10 9.0 4.12 -8.75 -0.01 0
339373 127261269 1 ClNOC8H8 ABCD8E8 17.27 3.86 -8.89 -0.1 0
339374 127261270 1 NO3C10H13 AB3C10D13 -59.26 2.24 -8.34 0.11 0
339375 127261271 1 N2O3C8H8 A2B3C8D8 20.08 8.34 -9.74 -1.18 0
339376 127261272 1 NSO3C12H13 ABC3D12E13 -30.81 3.69 -8.04 -0.21 0
339377 127261273 4 NC2H3 AB2C3 61.14 3.51 -8.54 -0.33 0
339378 127261274 1 OCl2N2C8H8 AB2C2D8E8 6.67 4.21 -8.44 -0.16 0