List Systems

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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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
339379 127261275 1 ClNO2C9H10 ABC2D9E10 -33.5 2.49 -8.81 -0.29 0
339380 127261276 1 ClNO2C8H8 ABC2D8E8 -23.14 3.67 -8.9 -0.4 0
339381 127261277 1 N2O2C11H12 A2B2C11D12 12.6 1.39 -7.85 -0.09 0
339382 127261278 1 NO5C12H13 AB5C12D13 -96.55 5.34 -8.23 -0.28 0
339383 127261279 1 ON3H11C12 AB3C11D12 74.63 3.18 -9.64 -0.76 0
339384 127261280 1 N2O5H10C11 A2B5C10D11 -16.14 7.86 -8.66 -1.52 0
339385 127261281 1 NSO2C11H11 ABC2D11E11 4.12 0.92 -8.29 -0.21 0
339386 127261282 1 NO2C20H33 AB2C20D33 -76.29 2.27 -8.76 -0.02 0
339387 127261283 1 OC15H24 AB15C24 -57.39 3.23 -8.96 0.98 0
339388 127261284 1 O2F3H11C15 A2B3C11D15 -193.61 4.53 -9.52 -0.82 0
339389 127261285 1 NOF4H13C16 ABC4D13E16 -152.6 3.19 -9.11 -0.26 0
339390 127261286 1 OC18H18 AB18C18 77.14 4.08 -9.14 -0.68 0
339391 127261287 1 OSN3C10H17 ABC3D10E17 15.27 1.75 -8.46 -0.31 0
339392 127261288 1 OSN3C12H21 ABC3D12E21 8.14 2.11 -8.01 -0.07 0
339393 127261289 1 SO2N3C8H13 AB2C3D8E13 -14.56 2.4 -8.62 -0.48 0
339394 127261290 1 BrOSN3C12H12 ABCD3E12F12 63.07 3.99 -8.51 -0.82 0
339395 127261291 1 ClOSN3C12H12 ABCD3E12F12 52.09 5.25 -8.22 -0.57 0
339396 127261292 1 SO2N3C14H17 AB2C3D14E17 15.46 2.17 -8.1 -0.46 0
339397 127261293 1 NO2H13C15 AB2C13D15 -16.56 5.84 -8.42 -1.23 0
339398 127261294 1 NO3C17H27 AB3C17D27 -94.07 2.6 -8.46 0.09 0
339399 127261295 1 NO3C13H19 AB3C13D19 -74.3 1.56 -8.31 0.14 0
339400 127261296 1 NO2C16H25 AB2C16D25 -54.68 2.63 -8.7 -0.04 0
339401 127261297 1 NO2C17H19 AB2C17D19 -3.79 2.96 -8.74 -0.09 0
339402 127261298 1 NO2C12H17 AB2C12D17 -37.32 2.57 -8.66 -0.03 0
339403 127261299 1 O3H14C16 A3B14C16 -81.1 3.06 -9.36 -0.53 0