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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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310335 126578974 1 NH37C55 AB37C55 230.36 1.94 -8.82 -0.87 0
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310336 126578985 2 NH18C27 AB18C27 242.81 2.81 -8.93 -1.13 0
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310337 126578994 2 NH17C25 AB17C25 225.03 2.41 -8.89 -1.02 0
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310338 126578998 2 NH17C25 AB17C25 225.15 2.2 -9.01 -0.96 0
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310339 126579001 2 NH18C27 AB18C27 242.83 2.62 -8.92 -1.13 0
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310340 126579014 4 NH8C12 AB8C12 248.51 2.5 -8.94 -1.34 0
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310341 126579040 2 NH17C25 AB17C25 225.96 2.68 -8.93 -1.1 0
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310342 126579043 2 NH17C25 AB17C25 227.91 2.48 -8.83 -1.0 0
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310343 126579057 2 NH17C25 AB17C25 224.66 2.16 -9.02 -1.0 0
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310344 126579059 1 N3H33C49 A3B33C49 235.54 1.85 -8.98 -0.89 0
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310345 126579070 1 N3H33C49 A3B33C49 237.51 4.19 -8.92 -1.12 0
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310346 126579082 1 NH35C55 AB35C55 229.48 2.73 -8.62 -0.79 0
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310347 126579085 1 NH33C51 AB33C51 211.88 2.54 -8.6 -0.76 0
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310348 126579126 1 N3H35C55 A3B35C55 259.84 3.21 -8.68 -1.23 0
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310349 126579153 1 N3H31C47 A3B31C47 224.38 3.61 -8.32 -0.74 0
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310350 126579155 2 N2H17C26 A2B17C26 257.96 1.72 -8.26 -0.62 0
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310351 126579171 2 NH17C25 AB17C25 224.85 3.38 -8.87 -0.92 0
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310352 126579178 1 FN3O5H10C11 AB3C5D10E11 -62.96 2.66 -9.47 -1.64 0
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310353 126579206 2 O4H18C27 A4B18C27 -113.88 7.97 -9.02 -0.98 0
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310354 126579211 1 O5H10C16 A5B10C16 -133.03 8.78 -9.44 -1.37 0
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310355 126579212 1 NH5O6C8 AB5C6D8 -198.17 5.7 -10.92 -1.96 0
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310356 126579220 1 ClIN2O2H8C10 ABC2D2E8F10 38.66 2.12 -9.15 -1.27 0
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310357 126579223 1 FN2O4C15H17 AB2C4D15E17 -121.73 2.45 -9.24 -0.86 0
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310358 126579224 1 O2Cl3N3C27H34 A2B3C3D27E34 -87.33 4.59 -8.57 -0.63 0
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310359 126579225 3 ClNC8H10 ABC8D10 -5.9 1.09 -8.5 -0.67 0
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310360 126579226 1 OCl2N5C25H29 AB2C5D25E29 0.28 2.09 -8.64 -0.82 0
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310361 126579230 1 O2Cl3N4C24H29 A2B3C4D24E29 -67.07 2.71 -8.35 -0.63 0
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310362 126579241 1 F2N2O5H12C13 A2B2C5D12E13 -197.81 5.04 -9.14 -1.2 0
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310363 126579255 1 OCl2F3N4C25H29 AB2C3D4E25F29 -191.33 3.53 -8.79 -0.8 0
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310364 126579279 1 SO3N6C12H12 AB3C6D12E12 78.26 6.43 -9.16 -1.23 0
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310365 126579289 1 NC15H17 AB15C17 18.03 2.4 -8.28 0.27 0
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310366 126579291 1 ClN2O2C13H15 AB2C2D13E15 5.11 2.5 -9.18 -0.62 0
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310367 126579300 1 N3O4C14H21 A3B4C14D21 -183.21 2.76 -9.67 -0.2 0
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310368 126579313 1 BrN2O3C12H13 AB2C3D12E13 -32.87 3.42 -8.39 -0.64 1
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310369 126579325 1 SN2O4C53H59 AB2C4D53E59 -54.13 3.98 0.0 0.0 0
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310370 126579334 1 PO2F4N6H15C19 AB2C4D6E15F19 -84.74 4.04 -9.02 -1.46 1
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310371 126579337 1 SF3O3N4C54H60 AB3C3D4E54F60 -130.17 10.62 0.0 0.0 0
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310372 126579363 1 N3O3C12H13 A3B3C12D13 -20.77 4.76 -9.16 -0.63 0
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310373 126579370 1 BrN2O4C14H15 AB2C4D14E15 -62.16 3.35 -9.15 -0.98 0
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310374 126579440 1 Br2N2O3H8C11 A2B2C3D8E11 4.02 3.14 -9.32 -1.51 0
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310375 126579442 1 ClION4H6C8 ABCD4E6F8 71.26 0.45 -9.9 -1.61 0
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310376 126579448 1 BrN2O3C13H13 AB2C3D13E13 -9.08 4.21 -9.11 -1.17 0
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310377 126579449 1 IO2F3N4H6C9 AB2C3D4E6F9 -124.09 0.9 -10.04 -1.74 0
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310378 126579451 1 ClIOH4N4C7 ABCD4E4F7 88.04 4.38 -9.98 -1.83 0
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310379 126579456 1 ION4H7C8 ABC4D7E8 82.11 7.06 -9.97 -1.55 0
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310380 126579463 1 SF2N3O4H9C11 AB2C3D4E9F11 -73.15 4.04 -9.32 -1.65 0
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310381 126579494 1 SF2N3O3H11C12 AB2C3D3E11F12 -113.86 3.83 -9.25 -1.06 0
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310382 126579498 1 SO5N7C24H31 AB5C7D24E31 -104.16 4.5 -8.81 -0.62 0
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310383 126579525 1 F2N3O3H9C12 A2B3C3D9E12 -61.15 1.38 -9.52 -1.16 0
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310384 126579542 1 SF2N2O4H10C12 AB2C2D4E10F12 -154.36 4.77 -9.54 -1.34 0
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310385 126579576 1 N2F3O5C15H15 A2B3C5D15E15 -267.83 4.39 -9.16 -1.25 0
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310386 126579587 1 FSN2O4C15H17 ABC2D4E15F17 -118.26 3.25 -8.89 -0.95 0
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310387 126579608 1 ClN2O2C11H11 AB2C2D11E11 10.44 2.71 -9.18 -0.65 0
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310388 126579631 1 BrFN2O4H10C12 ABC2D4E10F12 -90.89 1.73 -9.52 -1.39 0
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310389 126579650 1 BrIN2O3H8C11 ABC2D3E8F11 18.12 3.33 -9.31 -1.5 0
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310390 126579656 1 ClFSN2O3H10C12 ABCD2E3F10G12 -62.33 2.92 -9.07 -1.4 0
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310391 126579674 1 FO3N5H10C12 AB3C5D10E12 16.26 1.75 -9.38 -1.27 0
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310392 126579706 1 S2N9O9C37H55 A2B9C9D37E55 -389.23 7.67 -8.28 -1.54 0
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310393 126579712 1 ClFSN3O3H11C12 ABCD3E3F11G12 -34.78 4.95 -9.4 -1.09 0
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310394 126579713 1 S2O9N11C32H45 A2B9C11D32E45 -216.76 23.24 -7.64 -3.62 0
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310395 126579724 1 O3C19H30 A3B19C30 -169.75 2.6 -8.47 0.73 0
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310398 126579789 1 F2N3O4H9C11 A2B3C4D9E11 -76.36 2.3 -9.54 -1.73 0
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310399 126579792 2 FON3C12H14 ABC3D12E14 -86.17 4.72 -7.98 -0.44 0
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310400 126579801 1 SF2N2O4C15H16 AB2C2D4E15F16 -168.92 4.46 -9.29 -1.13 0
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310401 126579805 1 N3O3C13H13 A3B3C13D13 29.23 5.45 -9.25 -0.86 0
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310402 126579812 1 NOS4C53H79 ABC4D53E79 -99.24 1.59 -8.41 -1.18 0
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310403 126579852 1 N2O5C17H22 A2B5C17D22 -117.88 2.63 -8.98 -0.81 0
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310404 126579853 1 ClN2O2C13H13 AB2C2D13E13 24.62 2.79 -9.1 -0.58 0
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310405 126579880 1 BrN2O3C14H15 AB2C3D14E15 -19.79 4.31 -9.3 -1.0 0
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310406 126579885 1 P2N4O17C83H166 A2B4C17D83E166 -1237.78 5.37 -9.71 0.01 0
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310407 126579895 1 N4O6C37H60 A4B6C37D60 -329.29 1.97 -8.74 0.22 0
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310408 126579902 2 NH13C20 AB13C20 181.47 2.28 -7.76 -0.69 0
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310409 126579908 1 SN2H30C48 AB2C30D48 213.65 3.47 -7.97 -0.7 0
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310410 126579923 1 SN2H34C54 AB2C34D54 237.06 3.52 -7.99 -0.72 0
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310411 126579939 1 SN2H36C55 AB2C36D55 219.79 3.44 -7.95 -1.04 0
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310412 126579950 1 SN2H36C55 AB2C36D55 217.6 3.31 -7.94 -0.77 0
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310413 126579964 1 SN3H25C43 AB3C25D43 222.9 4.82 -8.15 -0.88 0
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310414 126579988 1 SN2H32C52 AB2C32D52 230.03 2.82 -7.93 -0.71 0
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310415 126579992 1 SN2H34C54 AB2C34D54 240.64 3.92 -7.91 -0.66 0
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310416 126580011 1 SN3H25C43 AB3C25D43 228.19 5.19 -8.19 -1.08 0
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310417 126580015 1 SN2H34C51 AB2C34D51 208.5 2.56 -7.92 -0.67 0
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310418 126580028 1 SN2H30C48 AB2C30D48 218.96 2.55 -7.79 -0.8 0
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310419 126580036 1 SN2H34C51 AB2C34D51 205.54 3.24 -7.73 -0.72 0
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310420 126580056 1 SN2H30C48 AB2C30D48 215.58 1.38 -7.77 -0.74 0
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310421 126580071 1 FSN2H25C42 ABC2D25E42 228.4 0.98 -7.81 -0.97 0
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310422 126580084 1 SN2H28C46 AB2C28D46 211.62 1.95 -7.94 -0.71 0
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310423 126580136 1 N3O5C13H15 A3B5C13D15 -65.51 4.15 -9.52 -0.96 0
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310424 126580144 1 ON2H36C55 AB2C36D55 191.72 3.61 -7.89 -0.87 0
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310425 126580147 1 ON2H34C54 AB2C34D54 316.21 3.83 -8.4 -0.83 0
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310426 126580155 1 ON2H28C46 AB2C28D46 186.56 3.75 -7.89 -0.87 0
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310427 126580203 1 ON2H28C46 AB2C28D46 182.77 2.02 -7.83 -0.72 0
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310428 126580222 2 N3H14C23 A3B14C23 279.09 4.14 -8.06 -1.53 0
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310429 126580252 1 N3H21C32 A3B21C32 170.85 3.21 -8.25 -1.12 0
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310430 126580258 1 S2N4H22C39 A2B4C22D39 223.01 0.57 -8.33 -1.26 0
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310431 126580259 1 O2N4H22C39 A2B4C22D39 164.92 1.98 -8.52 -1.25 0
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310432 126580261 1 ON4H28C45 AB4C28D45 208.22 1.14 -8.33 -1.25 0
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310433 126580269 1 N4H26C39 A4B26C39 212.55 1.34 -8.18 -1.24 0
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310434 126580274 1 ON4H32C51 AB4C32D51 234.81 1.43 -8.31 -1.17 0
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310435 126580284 1 SN5H27C46 AB5C27D46 272.38 5.89 -8.25 -1.52 0
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310436 126580317 1 ON3H19C32 AB3C19D32 153.41 2.72 -8.21 -1.12 0