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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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328287 126700563 1 N4O5H20C21 A4B5C20D21 -101.22 7.14 -8.28 -0.73 0
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328288 126700564 1 O4N5C29H35 A4B5C29D35 -51.19 2.01 -8.74 -0.66 0
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328289 126700565 1 O3N4H18C19 A3B4C18D19 -16.93 4.1 -8.31 -0.71 0
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328290 126700566 1 BrNO3H8C10 ABC3D8E10 -72.31 2.02 -9.62 -0.98 0
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328291 126700567 1 O3N5C30H35 A3B5C30D35 -72.05 1.62 -8.51 -0.32 0
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328292 126700570 1 O3N5C27H27 A3B5C27D27 -17.05 4.51 -8.64 -0.52 0
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328293 126700573 1 O4N5H21C26 A4B5C21D26 -0.61 7.04 -8.89 -0.82 0
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328294 126700575 1 N5O5H23C26 A5B5C23D26 -69.11 4.34 -8.65 -0.6 0
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328295 126700577 1 O4N5H23C26 A4B5C23D26 -0.86 5.9 -8.57 -0.44 0
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328296 126700581 1 O3N6C32H36 A3B6C32D36 -21.96 5.65 -8.69 -0.56 0
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328297 126700616 2 ON3C15H15 AB3C15D15 65.13 6.59 -7.67 -0.7 0
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328298 126700623 1 S3O22N23C97H107 A3B22C23D97E107 -607.78 12.81 -8.18 -1.98 0
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328299 126700624 1 FSN4O4H35C36 ABC4D4E35F36 -69.84 4.65 -8.22 -0.84 0
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328300 126700636 1 SO4N5C22H23 AB4C5D22E23 -28.45 10.83 -8.25 -1.2 0
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328301 126700637 1 FSN5O5H36C37 ABC5D5E36F37 -107.99 8.42 -8.43 -0.98 0
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328302 126700640 1 F2O3N4H14C18 A2B3C4D14E18 -104.93 6.45 -8.52 -1.06 0
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328303 126700642 1 FO4N6H29C30 AB4C6D29E30 -66.43 9.57 -8.61 -0.9 0
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328304 126700643 1 FO3N5H28C29 AB3C5D28E29 -23.7 6.56 -8.21 -0.8 0
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328305 126700650 1 SN2F3O3H23C24 AB2C3D3E23F24 -212.37 4.22 -8.95 -1.55 0
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328306 126700651 1 NSO4C11H21 ABC4D11E21 -201.71 5.41 -9.51 -0.15 0
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328307 126700652 1 SO8N9C24H27 AB8C9D24E27 -249.83 4.68 -9.02 -1.56 0
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328309 126700656 1 S4N16O22C67H78 A4B16C22D67E78 -730.79 8.18 -8.24 -2.17 0
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328310 126700658 1 SN20O20C87H110 AB20C20D87E110 -727.49 5.4 -8.04 -1.95 0
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328311 126700660 1 BrN5O5C21H22 AB5C5D21E22 -118.01 9.9 -8.2 -1.25 0
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328312 126700662 1 S2N13O13C61H63 A2B13C13D61E63 -283.07 9.01 -7.91 -1.6 0
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328313 126700664 1 O2N5C18H19 A2B5C18D19 -6.41 9.16 -8.32 -0.91 0
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328314 126700665 1 O3N6C20H20 A3B6C20D20 -24.79 8.6 -8.26 -0.8 0
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328315 126700671 1 O3N5C23H23 A3B5C23D23 -29.74 6.31 -8.12 -0.88 0
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328316 126700672 2 N2O2C11H11 A2B2C11D11 -58.89 5.61 -8.08 -0.61 0
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328317 126700677 1 O2N3H17C19 A2B3C17D19 10.99 4.05 -8.49 -0.76 0
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328318 126700678 1 ON3H15C16 AB3C15D16 40.17 5.51 -8.58 -0.83 0
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328319 126700681 2 ON4C10H10 AB4C10D10 81.41 2.6 -8.4 -1.68 0
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328320 126700682 1 ON5H17C18 AB5C17D18 73.87 4.67 -8.05 -1.5 0
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328321 126700686 1 O2N8C21H22 A2B8C21D22 59.98 3.12 -8.2 -1.15 0
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328322 126700699 1 O5N8C28H34 A5B8C28D34 -117.77 4.12 -8.67 -1.15 0
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328323 126700707 1 ClON2H7C8 ABC2D7E8 -0.94 1.26 -9.06 -0.58 0
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328324 126700708 1 ON2F3H7C9 AB2C3D7E9 -154.55 2.43 -9.23 -0.96 0
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328325 126700719 1 O3N8H22C23 A3B8C22D23 31.86 6.42 -8.26 -1.05 0
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328326 126700722 1 BrFON2C10H12 ABCD2E10F12 -55.81 5.13 -8.49 -0.31 0
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328327 126700723 1 O3N8C23H24 A3B8C23D24 19.47 7.99 -8.19 -1.05 0
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328328 126700724 1 SO3N8C28H34 AB3C8D28E34 -2.68 3.98 -9.03 -1.42 0
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328329 126700727 1 FSO4N8C25H27 ABC4D8E25F27 -72.64 5.6 -8.96 -1.4 0
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328330 126700729 1 NO4C12H19 AB4C12D19 -178.56 6.81 -10.1 0.04 0
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328331 126700731 1 SF3O4N8H25C26 AB3C4D8E25F26 -148.2 8.64 -9.13 -1.55 0
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328332 126700733 1 BrSN2O3H15C17 ABC2D3E15F17 -40.52 7.86 -9.07 -1.32 0
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328333 126700734 1 SN4O4C25H26 AB4C4D25E26 -59.21 5.53 -8.5 -0.89 0
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328334 126700738 1 N4O4C19H24 A4B4C19D24 -90.9 7.45 -8.29 -0.31 0
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328335 126700739 1 O4N7C29H35 A4B7C29D35 -65.73 4.86 -9.04 -1.36 0
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328336 126700740 1 O9N11C46H51 A9B11C46D51 -79.87 12.24 -8.2 -1.8 0
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328337 126700741 2 ON2C9H12 AB2C9D12 -15.42 3.98 -7.84 0.06 0
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328338 126700744 1 BrION2H8C10 ABCD2E8F10 42.92 6.38 -9.02 -1.8 0
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328339 126700745 1 BrON2C11H11 ABC2D11E11 7.12 7.02 -8.8 -0.4 0
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328340 126700751 1 SO2H10C12 AB2C10D12 -30.2 4.14 -9.18 -0.97 0
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328341 126700753 1 ClSO3N6H15C16 ABC3D6E15F16 -1.28 4.63 -9.04 -1.54 0
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328342 126700754 1 ClS2O3N6C18H23 AB2C3D6E18F23 -33.33 4.11 -9.03 -1.5 0
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328343 126700756 1 BrO2N4H15C18 AB2C4D15E18 24.5 7.44 -8.8 -0.81 0
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328344 126700757 1 ClSO4N6C20H21 ABC4D6E20F21 -58.77 7.15 -9.1 -1.49 0
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328345 126700768 1 SO3N7C27H31 AB3C7D27E31 -5.47 4.94 -9.88 -1.8 0
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328346 126700769 1 N4O8C35H40 A4B8C35D40 -250.15 1.56 -9.27 -1.51 0
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328347 126700770 1 OC4N4H8 AB4C4D8 -3.38 6.15 -9.52 -0.32 0
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328348 126700772 1 O4N6H22C25 A4B6C22D25 10.11 4.04 -8.37 -0.72 0
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328349 126700774 1 O7C52H72 A7B52C72 -324.36 4.19 -8.88 -0.31 0
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328350 126700775 1 O7C53H74 A7B53C74 -327.45 4.85 -8.78 -0.23 0
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328351 126700777 1 O2N6C19H20 A2B6C19D20 38.03 4.32 -8.3 -1.22 0
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328352 126700783 1 ON5C18H21 AB5C18D21 84.54 6.02 -8.09 -0.77 0
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328353 126700784 1 O3N5C20H27 A3B5C20D27 -56.23 7.37 -7.96 0.08 0
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328354 126700790 1 O3N7H23C25 A3B7C23D25 47.21 4.93 -8.36 -0.72 0
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328355 126700791 1 O3N7C22H27 A3B7C22D27 -32.08 7.37 -8.18 -0.45 0
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328356 126700797 1 FSO3N5H20C21 ABC3D5E20F21 -80.06 9.46 -8.6 -1.14 0
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328357 126700806 1 FSO3N5H20C21 ABC3D5E20F21 -79.48 7.67 -8.5 -1.09 0
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328358 126700812 1 SN3H27C40 AB3C27D40 193.11 4.64 -8.37 -0.95 0
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328359 126700814 1 FO3N6H23C24 AB3C6D23E24 -27.4 9.39 -8.84 -1.34 0
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328360 126700818 1 FN2C12H13 AB2C12D13 14.63 4.39 -8.89 -0.56 0
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328361 126700819 1 SN2O4C26H30 AB2C4D26E30 -92.12 4.52 -8.17 -0.79 0
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328362 126700828 1 FN4C10H11 AB4C10D11 39.09 5.85 -9.24 -1.14 0
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328363 126700831 1 NOH15C19 ABC15D19 51.34 1.05 -8.5 -0.55 0
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328364 126700945 1 ClN4H9C12 AB4C9D12 107.69 5.2 -9.56 -0.82 0
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328365 126701172 1 BrNSH14C24 ABCD14E24 115.5 1.99 -8.4 -0.95 0
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328366 126701200 1 BrO4N5C22H22 AB4C5D22E22 0.44 6.55 -8.62 -1.23 0
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328367 126701201 1 SO11N12C34H40 AB11C12D34E40 -353.12 8.29 -9.22 -1.32 1
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328368 126701203 1 S3N17O17C68H86 A3B17C17D68E86 -508.68 24.61 0.0 0.0 0
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328369 126701207 1 S4N17O22C71H85 A4B17C22D71E85 -778.52 15.07 -7.98 -1.71 0
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328370 126701208 1 O5N7C23H39 A5B7C23D39 -239.27 6.85 -8.59 0.06 0
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328371 126701217 1 ON4C13H22 AB4C13D22 -0.29 3.14 -8.85 0.09 0
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328372 126701218 1 NO2C9H19 AB2C9D19 -118.01 5.59 -9.27 0.79 0
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328373 126701229 2 O3C7H11 A3B7C11 -278.86 5.43 -10.3 -1.32 0
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328374 126701231 1 BrFO2N5H23C27 ABC2D5E23F27 89.69 11.54 -8.63 -0.75 0
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328375 126702993 1 O2N3C18H29 A2B3C18D29 -67.02 4.33 -9.36 -0.15 0
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328376 126704889 1 NOC9H21 ABC9D21 -75.65 2.62 -8.82 2.16 0
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328377 126704891 1 NOC14H23 ABC14D23 -45.3 1.85 -8.88 0.45 0
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328378 126704904 1 NOC21H23 ABC21D23 -5.41 4.22 -8.52 -1.18 0
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328379 126704912 1 N7H11C17 A7B11C17 185.33 1.83 -9.46 -1.79 0
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328380 126704914 2 N4H5C8 A4B5C8 204.56 0.52 -9.57 -1.97 0
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328381 126705217 1 NO3C29H29 AB3C29D29 -58.82 5.79 -9.17 -0.33 0
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328382 126705225 1 NO4H25C27 AB4C25D27 -82.46 5.28 -9.3 -0.37 0
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328383 126705381 2 O10C19H28 A10B19C28 -928.87 1.93 -9.94 0.33 0
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328384 126705435 1 F3N3H10C17 A3B3C10D17 -65.39 6.47 -8.62 -1.34 0
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328385 126705741 1 O6C15H26 A6B15C26 -312.39 4.35 -10.71 0.51 0
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328386 126705742 3 OC4H8 AB4C8 -183.76 2.72 -9.74 0.82 0
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328387 126705745 1 OSN7C27H35 ABC7D27E35 56.1 2.97 -8.54 -0.34 0