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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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215612 85084985 1 NO15C61H103 AB15C61D103 -811.23 6.72 -8.98 0.14 0
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215613 85084986 1 PCl4N6O8C54H59 AB4C6D8E54F59 -281.05 4.95 -8.67 -0.63 0
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215614 85084987 1 O23C53H86 A23B53C86 -1100.78 6.64 -9.24 0.38 0
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215615 85084988 1 SN11O13C52H73 AB11C13D52E73 -556.01 1.93 -9.05 -0.16 0
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215616 85084989 1 SO11N18C46H80 AB11C18D46E80 -459.85 14.42 -8.48 -0.49 0
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215617 85084991 2 OPN2F6H22C28 ABC2D6E22F28 -611.66 6.42 -8.52 -0.87 0
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215618 85084992 2 IOC30H53 ABC30D53 -273.13 2.19 -8.71 -1.02 0
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215619 85084993 2 SBr2O8H12C18 AB2C8D12E18 -576.39 4.0 -8.74 -2.64 0
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215620 85084994 1 O11N14C54H76 A11B14C54D76 -472.48 12.0 -9.04 0.0 0
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215621 85084995 1 S2N10O13C51H72 A2B10C13D51E72 -581.57 9.27 -8.77 -0.44 0
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215622 85084996 1 N6O9C66H76 A6B9C66D76 -294.97 7.72 -8.79 -0.35 0
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215623 85084997 1 N4Br6O10H30C31 A4B6C10D30E31 -221.51 4.06 -9.46 -1.28 0
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215624 85084998 1 N4Br6O10H30C31 A4B6C10D30E31 -258.72 7.52 -9.01 -1.03 0
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215625 85084999 1 O23C54H82 A23B54C82 -1053.16 7.05 -9.31 -0.02 0
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215626 85085000 1 SN4O13C58H106 AB4C13D58E106 -800.78 6.52 -8.63 0.47 0
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215627 85085001 1 ClSO10C67H67 ABC10D67E67 -208.17 4.16 -8.51 -0.13 0
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215628 85085002 1 Cl2N2O4C69H108 A2B2C4D69E108 -222.7 4.42 -7.98 0.21 0
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215629 85085003 1 O13C68H76 A13B68C76 -394.9 4.58 -8.86 0.08 0
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215630 85085004 2 NO5C34H48 AB5C34D48 -253.49 12.16 -7.72 -0.2 0
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215631 85085006 2 O10C29H43 A10B29C43 -879.68 5.62 -9.41 -0.65 0
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215632 85085008 1 SCl2F9N10O11C39H47 AB2C9D10E11F39G47 -882.81 8.69 -9.0 -2.41 0
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215633 85085009 1 N11O14C54H79 A11B14C54D79 -647.64 13.92 -9.0 -0.05 0
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215634 85085011 2 SO5N6C27H33 AB5C6D27E33 -321.12 8.53 -8.46 -0.27 0
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215635 85085014 1 S2N12O17C46H60 A2B12C17D46E60 -702.64 13.97 -9.42 -0.71 0
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215636 85085015 1 SO13N16C49H64 AB13C16D49E64 -379.14 9.68 -7.19 -2.49 0
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215637 85085016 1 O12N14C53H92 A12B14C53D92 -626.86 6.1 -9.3 0.16 0
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215638 85085017 1 ClS3O8N9C56H60 AB3C8D9E56F60 -57.37 50.06 -6.22 -2.71 1
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215639 85085018 1 S3O8N9C56H60 A3B8C9D56E60 -89.01 2.73 0.0 0.0 0
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215640 85085020 2 O11C28H47 A11B28C47 -1066.07 5.38 -9.28 0.37 0
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215641 85085021 2 N4O6C30H47 A4B6C30D47 -598.36 5.66 -9.37 0.06 0
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215642 85085022 1 O13N16C50H88 A13B16C50D88 -658.57 2.97 -9.1 0.0 0
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215643 85085024 1 O11N15C55H75 A11B15C55D75 -385.57 11.85 -8.96 -0.35 0
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215644 85085025 2 SO6N9C23H32 AB6C9D23E32 -424.45 24.27 -7.3 -1.2 0
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215645 85085026 1 O11N14C56H78 A11B14C56D78 -466.14 6.64 -8.49 -0.44 0
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215646 85085027 1 NO13C66H109 AB13C66D109 -715.47 6.13 -9.75 -0.96 0
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215647 85085028 2 SO5N9C24H36 AB5C9D24E36 -335.97 9.42 -9.17 -1.62 0
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215649 85085030 1 N17O17C45H75 A17B17C45D75 -751.71 15.49 -9.3 -0.82 0
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215650 85085031 1 N9O14C59H67 A9B14C59D67 -406.14 4.84 -8.31 -1.9 0
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215651 85085032 1 S2N10O11C55H86 A2B10C11D55E86 -542.37 5.76 -8.4 -0.06 0
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215652 85085034 1 SN10O19C48H76 AB10C19D48E76 -920.54 6.0 -8.81 -0.26 0
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215653 85085035 1 O13N16C51H84 A13B16C51D84 -600.79 8.17 -9.28 -0.36 0
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215654 85085036 1 SN11O15C53H67 AB11C15D53E67 -603.12 6.7 -8.78 -0.5 0
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215655 85085037 1 SN12O14C52H84 AB12C14D52E84 -682.36 10.52 -8.5 -0.2 0
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215656 85085038 1 S2O11N15C51H71 A2B11C15D51E71 -455.37 6.23 -9.12 -0.94 0
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215657 85085039 1 P3N9O25C39H58 A3B9C25D39E58 -1286.91 4.5 -9.83 -0.6 0
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215658 85085040 1 O10N27C43H85 A10B27C43D85 -417.88 4.5 -9.26 -0.23 0
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215659 85085042 1 SN16O16C46H76 AB16C16D46E76 -708.15 6.71 -8.98 -0.53 0
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215660 85085043 1 O25C54H92 A25B54C92 -1210.31 6.15 -9.66 0.4 0
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215661 85085044 1 O13N16C52H84 A13B16C52D84 -561.83 12.83 -9.22 0.13 0
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215663 85085048 1 SN13O18C47H79 AB13C18D47E79 -830.67 10.0 -9.2 -0.8 0