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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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23971 607266 1 ON2C11H20 AB2C11D20 -57.28 2.2 -8.45 2.47 0
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23972 607269 1 SN2O3H4C7 AB2C3D4E7 40.44 2.5 -9.38 -2.04 0
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23973 607270 1 N4O5C21H30 A4B5C21D30 -215.0 2.17 -8.55 0.09 0
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23974 607274 1 ON2H8C12 AB2C8D12 98.35 1.46 -9.15 -1.28 0
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23975 607279 2 NOH5C7 ABC5D7 1.95 2.71 -9.1 -1.56 0
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23976 607285 1 O8C29H38 A8B29C38 -336.33 4.71 -9.09 -0.6 0
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23977 607296 1 OC20H24 AB20C24 -20.89 3.43 -9.13 -0.84 0
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23978 607301 1 N3O4C14H15 A3B4C14D15 -124.64 8.17 -9.67 -0.71 0
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23979 607303 1 N4H22C25 A4B22C25 111.35 1.66 -7.96 -0.56 0
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23980 607304 1 NOC14H27 ABC14D27 -90.62 2.07 -8.66 2.61 0
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23981 607308 2 NSeH6C8 ABC6D8 84.83 5.57 -8.4 -1.56 0
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23982 607311 1 N2O4C19H20 A2B4C19D20 -99.33 2.83 -8.74 -0.22 0
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23983 607319 1 NC14H15 AB14C15 35.86 2.2 -9.01 0.06 0
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23984 607324 1 ClN2O6H13C15 AB2C6D13E15 -133.64 5.75 -9.46 -1.39 0
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23985 607326 1 ClH5C6N6 AB5C6D6 76.17 3.51 -9.09 -1.21 0
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23986 607327 1 Cl2N3O3C11H11 A2B3C3D11E11 -100.87 2.3 -9.38 -1.08 0
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23987 607328 1 NCl3O4C14H16 AB3C4D14E16 -180.55 2.73 -9.42 -1.05 0
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23988 607329 1 ClN4C8H9 AB4C8D9 52.13 6.17 -8.64 -0.66 0
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23989 607330 1 BrON6C13H15 ABC6D13E15 75.09 3.03 -9.24 -0.97 0
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23990 607333 1 OCl5H7C9 AB5C7D9 -63.39 1.64 -9.28 -0.92 0
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23991 607338 1 Cl5H7C10 A5B7C10 -18.22 1.32 -9.61 -0.46 0
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23992 607343 1 NOH13C14 ABC13D14 40.23 4.67 -8.61 -0.63 0
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23993 607356 1 NSO4C14H15 ABC4D14E15 -128.69 3.89 -8.83 -0.77 0
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23994 607357 1 N4O4C11H16 A4B4C11D16 -3.9 5.17 -9.5 -2.11 0
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23995 607360 1 NSO4C13H13 ABC4D13E13 -116.47 0.91 -8.94 -0.85 0
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23996 607367 1 N3H17C19 A3B17C19 77.58 0.91 -7.59 -0.33 0
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23997 607369 1 NO3C18H19 AB3C18D19 -92.62 1.95 -9.14 -0.84 0
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23998 607372 1 NO5C17H19 AB5C17D19 -124.27 4.54 -8.57 -0.72 0
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23999 607381 1 NO5C19H33 AB5C19D33 -234.32 1.91 -9.87 0.42 0
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24000 607391 2 FOH9C15 ABC9D15 -24.06 2.65 -9.45 -1.85 0
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24001 607393 1 N5H7C10 A5B7C10 128.84 7.62 -10.13 -1.7 0
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24002 607398 1 N5C13H13 A5B13C13 113.04 7.13 -10.07 -1.66 0
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24003 607404 1 NSO3C12H19 ABC3D12E19 -98.8 4.0 -8.13 -0.27 0
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24004 607406 1 O3C26H52 A3B26C52 -250.69 1.82 -10.2 0.91 0
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24005 607411 1 N2O5C18H30 A2B5C18D30 -242.53 3.72 -9.44 0.04 0
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24006 607427 1 ON4H14C18 AB4C14D18 91.81 2.75 -8.85 -1.16 0
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24007 607428 2 NOH6C7 ABC6D7 -24.0 0.94 -9.03 -0.98 0
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24008 607442 1 NB3O6C18H34 AB3C6D18E34 -482.93 2.81 -10.1 0.28 0
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24009 607443 4 NC4H5 AB4C5 66.38 6.97 -8.55 -0.38 0
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24010 607445 1 FeP2C19H32 AB2C19D32 196.36 3.79 -5.61 -2.75 -6
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24011 607446 1 O2N4C15H16 A2B4C15D16 24.35 3.64 -9.09 -1.63 0
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24012 607448 1 BrOC23H23 ABC23D23 31.1 3.41 -9.17 -0.01 0
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24013 607450 1 BrOH21C22 ABC21D22 35.88 2.4 -9.25 -0.09 0
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24014 607451 1 S2N3C7H8 A2B3C7D8 52.97 5.02 0.0 0.0 1
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24015 607452 1 AsS3C6H15 AB3C6D15 -30.41 2.45 -8.39 -1.04 0
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24016 607453 1 N5H27C28 A5B27C28 133.39 2.58 -8.5 -0.53 0
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24017 607455 1 NO2S2H11C17 AB2C2D11E17 61.73 3.63 -9.03 -1.08 0
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24018 607457 1 SeN2H14C16 AB2C14D16 92.2 2.09 -8.91 -0.83 0
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24019 607458 1 SeN2H14C16 AB2C14D16 92.07 3.12 -8.66 -0.95 0
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24020 607459 1 OC24H26 AB24C26 6.71 1.12 -8.82 0.18 0
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24021 607461 1 O2N3H15C19 A2B3C15D19 21.94 6.64 -8.48 -0.86 0
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24022 607466 1 O4C15H22 A4B15C22 -179.87 3.09 -9.71 0.52 0
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24023 607468 1 ClO2N3H4C7 AB2C3D4E7 56.12 7.22 -9.62 -1.97 0
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24024 607469 1 N4O4C9H12 A4B4C9D12 -2.34 7.52 -10.15 -1.75 0
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24025 607471 1 SiC17H36 AB17C36 -75.87 0.42 -9.28 0.85 0
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24026 607477 1 OSiC20H26 ABC20D26 -68.65 2.44 -8.98 0.1 0
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24027 607478 2 O3C7H10 A3B7C10 -253.12 1.7 -10.39 0.37 0
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24028 607482 1 OSiC28H44 ABC28D44 -117.3 2.58 -9.06 0.12 0
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24029 607483 1 OSiC28H44 ABC28D44 -116.59 2.41 -9.15 0.26 0
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24030 607485 1 ClON2H19C21 ABC2D19E21 28.93 3.47 -8.45 -1.08 0
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24031 607491 6 C3H4 A3B4 -6.7 0.81 -9.0 0.56 0
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24032 607492 1 SN2O2C19H20 AB2C2D19E20 -34.38 4.25 -8.41 -0.67 0
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24033 607494 1 SN2O2C19H20 AB2C2D19E20 -24.29 6.99 -8.65 -1.08 0
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24034 607496 1 SO2N5C8H9 AB2C5D8E9 81.71 4.17 -9.35 -2.26 0
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24035 607501 1 BN2C15H21 AB2C15D21 5.48 2.32 -8.9 -0.33 0
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24036 607502 1 NCl2H5C9 AB2C5D9 33.83 2.23 -9.51 -1.28 0
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24037 607503 1 NCl2H5C9 AB2C5D9 34.83 2.68 -9.61 -1.26 0
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24038 607509 2 SiC3O3H9 AB3C3D9 -432.68 0.19 -8.72 0.68 0
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24039 607512 1 NO2H7C12 AB2C7D12 -12.09 4.61 -9.31 -1.5 0
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24040 607514 2 O2C9H9 A2B9C9 -85.17 3.09 -9.39 -0.85 0
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24041 607517 1 GeC11H20 AB11C20 23.99 0.87 -9.21 0.65 0
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24042 607519 1 H2F3N3C8 A2B3C3D8 -41.87 3.93 -9.77 -2.05 0
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24043 607520 1 O2N3H9C11 A2B3C9D11 -13.02 4.55 -10.0 -1.17 0
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24044 607521 1 N2O7C21H24 A2B7C21D24 -264.32 3.28 -9.99 -1.38 0
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24045 607528 1 NC14H15 AB14C15 27.89 2.61 -9.12 -0.03 0
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24046 607529 1 BrPH16C19 ABC16D19 64.41 3.55 -8.57 -0.1 0
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24047 607530 2 ClOC5H5 ABC5D5 -88.07 0.82 -10.32 -1.18 0
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24048 607531 1 GeC11H20 AB11C20 23.37 0.56 -9.06 0.62 0
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24049 607535 1 NB2O5C15H29 AB2C5D15E29 -374.51 4.04 -9.99 0.63 0
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24050 607554 2 OH8C10 AB8C10 -13.19 2.4 -9.34 -0.59 0
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24051 607564 1 ClO4H9C10 AB4C9D10 -148.18 1.16 -10.2 -1.22 0
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24052 607565 1 BrO3H13C15 AB3C13D15 -70.72 1.31 -8.69 -0.99 0
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24053 607570 1 OSiC17H22 ABC17D22 -65.44 2.3 -9.08 0.2 0
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24054 607588 1 O5C40H56 A5B40C56 -164.26 5.75 -8.62 -0.37 0
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24055 607590 1 OC15H16 AB15C16 44.43 6.46 -8.9 -1.12 0
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24056 607593 4 NC3H3 AB3C3 78.27 1.67 -9.75 -0.52 0
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24057 607595 1 NO2C22H27 AB2C22D27 -67.53 2.98 -9.16 -0.4 0
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24058 607606 1 O3H12C14 A3B12C14 -65.33 0.6 -9.21 -0.51 0
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24059 607625 1 ClOBr2C15H21 ABC2D15E21 -71.14 5.75 -10.19 -0.63 0
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24060 607642 1 N2Si2H38C39 A2B2C38D39 108.0 0.25 -8.16 -0.22 0
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24061 607646 3 C5H6 A5B6 23.66 2.19 -8.94 -0.21 0
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24062 607651 1 ClNO2C19H30 ABC2D19E30 -119.93 2.25 -9.2 -0.4 0
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24063 607659 1 BrNC24H53 ABC24D53 -88.57 1.11 0.0 0.0 1
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24064 607660 1 ClSN2O3H13C14 ABC2D3E13F14 -88.72 7.98 -8.71 -0.92 0
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24065 607661 1 SN2O5C15H22 AB2C5D15E22 -216.32 8.89 -9.44 -0.63 0
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24066 607662 1 SN2O5C10H12 AB2C5D10E12 -197.6 7.93 -9.7 -0.84 0
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24067 607663 1 ClON2C9H11 ABC2D9E11 -24.93 4.05 -8.95 -0.12 0
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24068 607671 1 O2N3C21H25 A2B3C21D25 -52.1 2.91 -8.47 -0.05 0
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24069 607678 1 O2N3H13C14 A2B3C13D14 -9.44 5.75 -7.91 -0.98 0
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24070 607685 1 NSiO3C17H35 ABC3D17E35 -231.46 2.98 -8.73 0.79 0