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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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57329 22395668 1 NPC7O9H14 ABC7D9E14 -469.15 2.47 -10.54 -0.4 0
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57330 22395672 1 O9C15H20 A9B15C20 -386.04 4.74 -10.26 -0.92 0
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57331 22395674 1 P2C5O11H12 A2B5C11D12 -623.46 5.01 -10.96 -0.42 0
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57332 22395675 1 NPC8O9H16 ABC8D9E16 -448.94 2.6 -9.7 -0.85 0
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57333 22395677 1 BrO5H13C21 AB5C13D21 -128.36 5.46 -9.38 -1.13 1
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57334 22395682 1 O2N4H23C25 A2B4C23D25 14.98 4.3 0.0 0.0 0
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57336 22395684 1 N22O27C81H128 A22B27C81D128 -1247.3 9.55 -8.31 -0.14 0
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57337 22395686 1 ON2C12H28 AB2C12D28 -73.19 3.32 -8.41 2.35 0
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57338 22395687 1 NO2C6H13 AB2C6D13 -102.5 3.11 -9.4 1.06 0
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57339 22395688 2 NOH5C6 ABC5D6 -18.02 5.95 -9.88 -1.55 0
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57340 22395689 1 BrO3C11H11 AB3C11D11 -87.28 5.81 -9.85 -1.26 0
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57341 22395690 1 N5H7C10 A5B7C10 131.03 0.42 -9.51 -1.26 0
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57342 22395691 1 O2N3C10H13 A2B3C10D13 -41.32 4.01 -9.44 -1.0 0
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57343 22395694 1 H5N5C6 A5B5C6 125.95 5.03 -10.15 -1.34 0
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57344 22395695 1 ON3C5H7 AB3C5D7 -3.27 2.39 -8.89 -0.63 0
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57345 22395700 1 SP3N5C10O12H16 AB3C5D10E12F16 -646.28 17.08 -9.01 -0.96 0
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57346 22395701 1 SSi2F3O5C7H19 AB2C3D5E7F19 -381.59 2.97 -9.68 -1.2 4
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57347 22395706 1 ORuTiH2 ABCD2 64.02 8.89 -7.94 -4.55 0
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57348 22395707 1 BPSiO3H5 ABCD3E5 -337.73 0.62 0.0 0.0 0
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57349 22395709 1 NSO3H13C17 ABC3D13E17 -33.57 5.16 -8.89 -1.46 -2
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57350 22395711 1 PbO2C6H14 AB2C6D14 -71.06 5.54 -4.84 -0.33 0
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57352 22395719 1 O4C23H28 A4B23C28 -159.56 3.54 -9.0 -0.94 0
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57353 22395723 2 N2H7C10 A2B7C10 159.74 5.05 -9.75 -1.41 -1
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57354 22395726 1 O2C16H27 A2B16C27 -85.43 0.29 0.0 0.0 0
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57355 22395727 1 SO2C18H34 AB2C18D34 -139.51 2.81 -8.48 0.57 0
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57356 22395728 1 SO2C18H34 AB2C18D34 -139.58 2.33 -8.53 0.82 0
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57357 22395736 2 NC9H21 AB9C21 -82.74 3.55 -9.2 3.38 0
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57358 22395740 1 OC8H12 AB8C12 -25.59 2.41 -9.65 0.79 0
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57359 22395742 2 OC8H16 AB8C16 -155.41 4.81 -10.46 0.73 -1
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57360 22395746 1 O4C6H11 A4B6C11 -132.89 2.38 0.0 0.0 0
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57361 22395747 1 OC13H14 AB13C14 -11.55 2.51 -8.53 0.51 0
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57362 22395748 1 OH10C12 AB10C12 110.8 2.78 -8.97 -0.51 0
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57363 22395750 1 OH10C11 AB10C11 144.65 1.17 -8.64 -0.19 0
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57364 22395751 1 OC12H26 AB12C26 -109.27 2.28 -10.25 2.91 0
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57365 22395754 1 OC15H18 AB15C18 -21.94 2.1 -9.1 0.11 0
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57366 22395755 1 OH8C10 AB8C10 151.26 1.44 -8.6 0.0 0
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57367 22395756 2 NSC8H10 ABC8D10 37.37 1.07 -9.07 -1.18 0
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57368 22395760 1 OH14C15 AB14C15 119.36 2.7 -8.93 -0.48 0
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57369 22395762 1 OC14H18 AB14C18 -33.37 1.05 -8.84 0.53 0
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57370 22395763 1 O3C10H20 A3B10C20 -168.85 5.93 -10.4 0.98 0
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57371 22395768 2 OC6H10 AB6C10 -112.07 5.49 -9.8 0.77 -1
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57372 22395769 1 O4C13H25 A4B13C25 -188.2 2.75 0.0 0.0 0
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57373 22395770 1 O2C9H16 A2B9C16 -106.27 4.82 -9.74 0.68 0
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57374 22395780 1 O3C13H22 A3B13C22 -141.66 1.25 -9.45 0.0 0
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57375 22395784 1 NO3C4H9 AB3C4D9 -118.36 4.39 -10.67 0.69 1
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57376 22395789 1 NC9H16 AB9C16 45.0 0.89 0.0 0.0 1
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57377 22395791 1 N2O7C23H45 A2B7C23D45 -381.21 4.95 0.0 0.0 1
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57378 22395793 1 N2O5C21H41 A2B5C21D41 -287.02 6.08 0.0 0.0 0
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57379 22395795 1 N2O3C24H48 A2B3C24D48 -203.01 11.26 -8.98 -0.04 0
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57380 22395797 1 SN2O6C28H56 AB2C6D28E56 -344.39 9.33 -9.29 -0.5 0
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57381 22395801 1 OC11H16 AB11C16 -37.77 5.86 -9.6 -0.55 0
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57382 22395802 1 LiOC10H15 ABC10D15 -23.2 9.5 -7.54 0.91 0
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57383 22395805 1 NSO2C9H11 ABC2D9E11 -42.01 4.07 -9.07 -1.67 0
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57384 22395807 1 O4N5C10H15 A4B5C10D15 -145.64 11.75 -9.62 -0.76 0
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57385 22395809 1 N2O2C9H18 A2B2C9D18 -113.96 5.42 -9.48 0.68 0
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57386 22395810 1 NSO2C10H11 ABC2D10E11 -36.22 2.33 -9.14 -1.8 0
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57387 22395811 1 NO2H15C17 AB2C15D17 -28.61 4.62 -8.5 -1.14 0
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57388 22395814 1 ISN2O6H25C27 ABC2D6E25F27 -154.92 4.65 -9.66 -1.51 0
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57389 22395817 1 SCl2N3O5C19H19 AB2C3D5E19F19 -168.19 8.57 -9.92 -1.67 0
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57390 22395818 1 SCl2N3O8C26H29 AB2C3D8E26F29 -311.56 6.64 -9.27 -1.28 0
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57391 22395819 1 SF3N3O7C22H22 AB3C3D7E22F22 -340.22 11.96 -10.02 -1.58 0
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57392 22395820 1 ClSN3O6C24H30 ABC3D6E24F30 -235.76 3.81 -8.73 -1.02 0
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57393 22395821 1 FSCl2N2O6H25C28 ABC2D2E6F25G28 -245.55 7.78 -9.76 -1.66 0
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57394 22395822 1 NSO5C18H19 ABC5D18E19 -132.49 5.4 -8.94 -0.61 0
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57395 22395824 1 SCl2N4O5C25H26 AB2C4D5E25F26 -149.02 7.33 -9.38 -1.15 0
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57396 22395826 1 SCl2N3O6H25C26 AB2C3D6E25F26 -187.91 11.2 -8.34 -1.67 0
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57397 22395827 1 SCl2N3O6C24H29 AB2C3D6E24F29 -242.28 8.15 -8.74 -1.4 0
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57398 22395828 1 SN4O9C22H24 AB4C9D22E24 -177.48 6.6 -9.81 -2.45 0
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57399 22395830 1 FSCl2N2O5C21H21 ABC2D2E5F21G21 -238.77 7.05 -9.45 -1.51 0
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57400 22395831 1 S2N3O7C30H35 A2B3C7D30E35 -240.97 1.65 -8.64 -1.04 0
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57401 22395833 1 SN2O5C25H32 AB2C5D25E32 -201.11 12.14 -9.74 -0.89 0
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57402 22395836 1 SCl2N2O6C20H20 AB2C2D6E20F20 -214.13 6.46 -9.54 -1.58 0
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57403 22395837 1 FN2O3H15C16 AB2C3D15E16 -134.38 4.15 -8.88 -0.63 0
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57404 22395838 1 Cl2S2N4O6C21H24 A2B2C4D6E21F24 -208.43 6.2 -9.51 -1.2 0
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57405 22395839 1 SCl2N2O6C28H28 AB2C2D6E28F28 -192.27 10.01 -9.1 -1.44 0
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57406 22395842 1 SCl2N2O6C20H20 AB2C2D6E20F20 -228.15 3.43 -9.36 -1.4 0
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57407 22395844 1 SCl2N3O5C19H19 AB2C3D5E19F19 -170.46 6.56 -10.22 -1.66 0
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57408 22395845 1 Cl2N2S2O5H20C23 A2B2C2D5E20F23 -155.48 5.03 -8.94 -1.51 0
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57409 22395852 1 SN2O5C24H24 AB2C5D24E24 -148.71 12.29 -8.66 -1.13 0
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57410 22395853 1 SN4O8C24H30 AB4C8D24E30 -289.24 9.54 -9.27 -0.9 0
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57411 22395855 1 SCl2N3O7C29H29 AB2C3D7E29F29 -250.54 4.89 -8.81 -1.52 0
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57412 22395856 1 SN2O5C21H22 AB2C5D21E22 -100.2 8.5 -9.27 -1.02 0
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57413 22395857 1 SF3N3O5C22H24 AB3C3D5E22F24 -336.37 11.5 -8.65 -1.41 0
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57414 22395863 1 SCl2N2O7C25H30 AB2C2D7E25F30 -275.7 2.79 -9.1 -1.34 0
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57415 22395864 1 N2O3C16H18 A2B3C16D18 -95.91 8.33 -9.82 -1.45 0
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57416 22395865 1 SCl2N2O8C22H22 AB2C2D8E22F22 -260.19 3.67 -9.11 -1.2 0
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57417 22395868 1 FSN2O4C25H27 ABC2D4E25F27 -164.7 3.46 -8.68 -0.79 0
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57418 22395869 1 SF2N2O4C21H24 AB2C2D4E21F24 -229.41 6.49 -9.43 -1.08 0
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57419 22395870 1 SCl2N3O8H25C27 AB2C3D8E25F27 -203.17 9.61 -9.57 -1.59 0
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57420 22395874 2 NO2C6H8 AB2C6D8 -161.33 2.57 -9.2 -0.38 0
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57421 22395875 1 N2S2O7C25H26 A2B2C7D25E26 -215.19 7.92 -8.9 -0.65 0
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57422 22395877 1 SCl2N5O5C17H23 AB2C5D5E17F23 -195.56 3.84 -9.62 -1.5 0
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57423 22395878 1 N2S3O8C28H32 A2B3C8D28E32 -273.25 7.83 -8.47 -1.6 0
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57424 22395879 1 O3N4C19H24 A3B4C19D24 -82.13 10.83 -9.36 0.04 0
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57425 22395889 1 SCl2N2O7C24H28 AB2C2D7E24F28 -277.36 3.21 -8.86 -1.38 0
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57426 22395897 1 SN2F4O5H20C21 AB2C4D5E20F21 -375.43 5.94 -10.18 -1.34 0
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57427 22395903 1 SCl2N3O6H25C28 AB2C3D6E25F28 -166.51 2.95 -9.38 -1.22 0
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57428 22395904 1 SN3O5C23H25 AB3C5D23E25 -141.51 6.85 -9.67 -1.37 0
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57429 22395906 1 SCl2N2O5C20H20 AB2C2D5E20F20 -182.3 4.79 -9.48 -1.49 0
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57430 22395912 1 SN2O5C25H32 AB2C5D25E32 -213.2 6.44 -9.31 -0.6 0