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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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327983 126691622 1 SN4C14H16 AB4C14D16 103.31 4.23 -7.5 -1.02 -1
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327984 126691628 1 N2S2O9C34H35 A2B2C9D34E35 -270.54 11.44 0.0 0.0 0
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327985 126691631 1 N2S3O12C32H36 A2B3C12D32E36 -364.45 2.33 -8.19 -1.05 0
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327986 126691634 1 N4O5F8H26C31 A4B5C8D26E31 -517.77 7.87 -9.15 -1.47 0
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327987 126691635 1 N3O5F6C35H37 A3B5C6D35E37 -459.54 8.08 -8.63 -1.21 0
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327988 126691636 1 N3O3F6H25C28 A3B3C6D25E28 -357.21 7.35 -8.95 -1.21 0
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327989 126691638 1 N3O4F6H31C33 A3B4C6D31E33 -381.38 7.06 -8.68 -1.44 0
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327990 126691639 1 N3O4C35H41 A3B4C35D41 -81.48 8.96 -8.61 -0.24 1
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327991 126691645 1 PF2N3O5C29H33 AB2C3D5E29F33 -273.77 4.98 0.0 0.0 0
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327992 126691646 1 N3O5F6H33C34 A3B5C6D33E34 -452.96 10.66 -8.73 -1.46 0
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327993 126691653 1 F4N4O5H30C36 A4B4C5D30E36 -280.01 11.99 -9.04 -1.47 0
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327994 126691655 1 FOSH11C14 ABCD11E14 -25.84 4.13 -9.24 -1.09 0
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327995 126691656 1 O3F6N7H29C30 A3B6C7D29E30 -288.33 3.05 -8.75 -1.36 0
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327996 126691660 1 ClFN4H14C17 ABC4D14E17 37.06 4.63 -9.51 -1.29 0
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327997 126691663 3 NF2O2H11C12 AB2C2D11E12 -448.12 9.94 -8.99 -1.22 0
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327998 126691666 1 SN4O5C27H32 AB4C5D27E32 -144.87 14.77 -8.25 -0.43 0
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327999 126691670 1 N3O5F6H33C34 A3B5C6D33E34 -449.06 11.63 -8.67 -1.42 0
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328000 126691671 1 N2O3C19H24 A2B3C19D24 -100.09 5.09 -8.35 -0.06 0
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328001 126691672 2 N2F3O3C16H17 A2B3C3D16E17 -485.7 8.55 -8.76 -1.17 0
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328002 126691682 1 N3O3F6H25C28 A3B3C6D25E28 -356.7 7.18 -8.99 -1.23 0
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328003 126691685 1 F2N3O5C33H37 A2B3C5D33E37 -247.91 6.76 -8.83 -0.38 0
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328004 126691686 1 F2N3O5C33H35 A2B3C5D33E35 -241.45 6.18 -8.62 -0.47 0
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328005 126691687 1 SN2O2C10H18 AB2C2D10E18 -99.95 3.31 -8.37 0.53 0
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328006 126691713 1 O3N4F6C33H34 A3B4C6D33E34 -370.33 6.28 -8.85 -1.22 0
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328007 126691717 1 N5O5F9H28C35 A5B5C9D28E35 -548.69 8.39 -9.28 -1.39 0
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328008 126691719 1 N3O3F6H23C27 A3B3C6D23E27 -340.93 5.92 -9.14 -1.02 0
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328009 126691725 1 N3F4O5C35H37 A3B4C5D35E37 -361.52 10.74 -8.72 -1.19 0
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328010 126691726 2 N3O6C27H43 A3B6C27D43 -382.27 21.26 -6.68 -3.63 0
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328011 126691727 2 N2F3O3H16C18 A2B3C3D16E18 -470.11 9.4 -9.08 -1.44 0
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328012 126691729 2 N3O6C27H43 A3B6C27D43 -376.17 18.4 -8.32 -0.76 0
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328013 126691733 1 N5O5F6H31C35 A5B5C6D31E35 -388.47 7.41 -9.57 -1.55 0
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328014 126691737 1 N9O13C67H97 A9B13C67D97 -407.54 11.28 -8.48 -0.84 0
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328015 126691738 1 N9O13C67H97 A9B13C67D97 -374.31 22.11 -6.65 -2.24 0
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328016 126691742 1 SF3N4O13C68H91 AB3C4D13E68F91 -576.33 15.7 -8.48 -1.18 0
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328017 126691753 1 ClN7O14C71H100 AB7C14D71E100 -484.5 9.88 -8.31 -0.91 0
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328018 126691760 1 N3O4F6C33H33 A3B4C6D33E33 -391.63 4.37 -8.44 -1.31 0
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328019 126691761 1 N3O5F8H27C31 A3B5C8D27E31 -573.54 11.35 -9.31 -1.11 0
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328020 126691762 1 BrFOC11H12 ABCD11E12 -84.98 3.4 -9.6 -0.4 0
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328021 126691764 1 BrFN3C6H9 ABC3D6E9 -17.86 3.45 -8.85 -1.11 0
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328022 126691770 1 FN4O5C29H31 AB4C5D29E31 -155.5 6.74 -8.77 -0.54 0
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328023 126691773 1 N3O5F7H32C37 A3B5C7D32E37 -480.31 7.97 -9.07 -1.35 0
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328024 126691774 1 F3N3O5C34H36 A3B3C5D34E36 -306.09 6.0 -8.36 -0.64 0
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328025 126691779 1 N3O5F8H27C32 A3B5C8D27E32 -522.82 7.25 -9.06 -1.46 0
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328026 126691781 1 N3O5F6H31C32 A3B5C6D31E32 -434.85 3.22 -8.65 -1.15 0
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328027 126691783 1 N3O3F6H29C31 A3B3C6D29E31 -342.27 5.72 -8.62 -1.25 -1
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328028 126691786 1 N2S2O8C32H35 A2B2C8D32E35 -230.53 5.22 0.0 0.0 0
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328029 126691795 1 N4O4C35H42 A4B4C35D42 -118.51 4.46 -8.5 -0.04 0
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328030 126691799 1 N4O5F6H28C31 A4B5C6D28E31 -416.41 9.11 -8.98 -1.4 0
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328031 126691800 1 OSN3C16H25 ABC3D16E25 47.32 4.31 -8.1 -0.25 0
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328032 126691801 1 F2N3O3C29H29 A2B3C3D29E29 -111.25 2.94 -8.56 -0.58 0