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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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125023 50907613 1 O7C25H28 A7B25C28 -209.65 5.6 -8.61 -0.04 0
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125024 50907648 1 N2O3H18C22 A2B3C18D22 -23.62 6.61 -8.31 -1.24 0
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125025 50907692 1 ClNS2O4H14C21 ABC2D4E14F21 -56.93 5.93 -9.32 -2.12 0
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125026 50907693 1 SO5H24C26 AB5C24D26 -102.33 2.3 -8.45 -0.93 0
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125027 50907694 1 NSO4H21C24 ABC4D21E24 -49.46 3.59 -8.14 -0.97 0
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125028 50907695 1 ClNSO4H20C24 ABCD4E20F24 -64.31 3.41 -8.24 -1.18 0
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125029 50907696 1 NSO4H23C25 ABC4D23E25 -64.99 5.87 -8.06 -0.91 0
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125030 50907697 1 NSO5H23C25 ABC5D23E25 -97.85 4.57 -7.95 -0.8 0
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125031 50907698 1 NSO5H25C26 ABC5D25E26 -104.88 4.6 -7.94 -0.79 0
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125032 50907699 1 BrO2N4H13C19 AB2C4D13E19 49.77 5.55 -9.12 -1.81 0
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125033 50907700 2 ON2H8C10 AB2C8D10 37.11 7.28 -9.05 -1.64 0
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125034 50907701 1 O3N4H18C25 A3B4C18D25 38.63 2.3 -8.86 -1.71 0
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125035 50907702 1 BrFN6H16C25 ABC6D16E25 133.72 6.08 -9.02 -1.66 0
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125036 50907751 1 N3O4C24H27 A3B4C24D27 -104.66 5.47 -8.56 -0.96 0
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125037 50907803 1 SeO2N5H15C19 AB2C5D15E19 36.64 4.76 -8.65 -1.6 0
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125039 50907805 1 SeO2N5H15C19 AB2C5D15E19 34.49 7.36 -8.51 -1.46 0
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125041 50907843 1 O2Cl3N3H22C24 A2B3C3D22E24 -18.22 4.52 -9.35 -1.31 0
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125042 50907844 1 O2Cl3N3H20C23 A2B3C3D20E23 -15.38 3.72 -9.34 -1.28 0
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125043 50907845 1 O2Cl3N3H18C22 A2B3C3D18E22 -8.21 5.03 -9.35 -1.34 0
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125044 50907903 1 Cl2O2N4H14C19 A2B2C4D14E19 19.75 8.41 -9.28 -1.58 0
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125045 50907978 1 O7C21H34 A7B21C34 -292.74 2.43 -9.14 0.23 0
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125046 50907979 1 O7C21H30 A7B21C30 -270.17 3.42 -9.55 0.09 0
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125047 50907980 2 OC12H15 AB12C15 -45.52 2.71 -9.24 0.28 0
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125048 50908029 1 O7C29H38 A7B29C38 -307.5 8.34 -9.88 -1.03 0
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125049 50908111 1 O4C23H38 A4B23C38 -225.61 4.01 -9.69 0.16 0
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125050 50908112 1 O5C19H20 A5B19C20 -183.88 9.95 -9.06 -0.96 0
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125051 50908113 1 O5C18H18 A5B18C18 -175.43 8.42 -9.12 -1.01 0
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125052 50908225 1 ClSN2F3O3C14H16 ABC2D3E3F14G16 -214.09 15.61 -10.07 -2.36 1
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125053 50908226 1 ClN2C13H16 AB2C13D16 34.58 4.67 0.0 0.0 0
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125054 50908227 1 ClSN2F3O3C16H20 ABC2D3E3F16G20 -236.15 6.18 -8.77 -1.12 0
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125055 50908253 1 N2O4C13H16 A2B4C13D16 -136.29 2.17 -9.6 -0.01 0
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125056 50908254 1 N3O4C17H25 A3B4C17D25 -149.72 1.66 -9.5 -0.06 0
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125057 50908255 1 FNO4C24H28 ABC4D24E28 -173.83 4.49 -9.27 -0.92 0
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125058 50908296 1 N2S2O4H10C11 A2B2C4D10E11 -101.1 11.33 -9.47 -1.21 0
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125059 50908336 1 NSO6C33H39 ABC6D33E39 -204.38 3.27 -8.26 -0.57 0
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125060 50908337 1 NO6C27H35 AB6C27D35 -236.42 8.43 -8.52 -0.07 0
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125061 50908411 1 Cl2N4O7C15H16 A2B4C7D15E16 -244.21 7.79 -10.03 -1.57 0
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125062 50908412 1 ClN5O9C19H22 AB5C9D19E22 -344.06 4.48 -9.05 -0.61 0
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125063 50908500 4 O3C9H14 A3B9C14 -533.93 5.86 -8.83 -0.51 0
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125064 50908501 1 ON2C26H30 AB2C26D30 66.71 4.74 -8.4 -0.02 0
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125065 50908550 1 OF3N5H12C17 AB3C5D12E17 -61.18 2.63 -8.8 -0.94 0
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125066 50908660 1 CuN2O2S2H32C34 AB2C2D2E32F34 138.12 4.53 0.0 0.0 0
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125067 50908661 1 ZnS2N4O4H26C32 AB2C4D4E26F32 136.02 8.24 -8.12 -2.35 0
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125068 50908662 1 IOsPN4F6C23H28 ABCD4E6F23G28 -357.5 7.13 -8.5 -3.08 0
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125069 50908697 1 NO2S2H11C12 AB2C2D11E12 -11.39 5.31 -9.24 -1.2 0
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125070 50908748 1 F2N3O3C20H23 A2B3C3D20E23 -166.48 9.61 -9.11 -1.15 0
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125071 50908749 1 F2N3O3C20H23 A2B3C3D20E23 -167.49 13.02 -8.92 -0.99 0
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125072 50908932 1 O5C24H38 A5B24C38 -283.88 10.05 -10.24 0.14 0
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125074 50909046 1 NO10C28H31 AB10C28D31 -397.81 2.4 -9.11 -1.93 0
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125075 50909091 1 HgNO6H8C9 ABC6D8E9 -109.71 6.74 0.0 0.0 0
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125076 50909115 1 BClN3O5C30H37 ABC3D5E30F37 -217.19 7.74 -8.28 -0.46 0
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125077 50909132 1 O6C19H26 A6B19C26 -244.51 4.64 -9.55 0.54 0
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125078 50909286 3 CO2Hg3H5 AB2C3D5 -186.27 4.06 0.0 0.0 0
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125081 50909562 1 CuOSN4C15H16 ABCD4E15F16 84.76 2.76 0.0 0.0 0
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125082 50909563 1 PdN2C6O6H14 AB2C6D6E14 -226.49 5.59 -8.03 0.19 0
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125083 50909564 1 IPdN3C12H28 ABC3D12E28 9.86 6.24 -7.54 0.31 4
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125084 50909565 1 CuN2O3C27H32 AB2C3D27E32 126.08 9.24 0.0 0.0 6
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125085 50909566 1 CoO6C16H20 AB6C16D20 -280.75 6.74 0.0 0.0 2
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125086 50909567 1 CuSN4C15H16 ABC4D15E16 153.31 5.25 0.0 0.0 0
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125088 50909569 1 NiN2P2O6C16H24 AB2C2D6E16F24 -109.71 6.95 -7.61 -3.72 3
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125091 50909572 1 MnN4O4C8H18 AB4C4D8E18 -47.93 6.16 0.0 0.0 -3
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125092 50909576 1 CoN6H15 AB6C15 -7.87 5.04 -7.67 -2.98 2
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125093 50909678 1 ZnO2N7H19C21 AB2C7D19E21 96.36 7.55 -7.02 -1.06 6
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125095 50909707 1 CoSO2N4C14H17 ABC2D4E14F17 -22.74 26.11 -10.49 -5.91 3
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125096 50909712 1 CuSN5C13H20 ABC5D13E20 130.25 3.98 -8.1 -0.24 0
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125097 50909713 1 ZnO2N4H18C19 AB2C4D18E19 54.68 11.07 -5.95 -0.84 1
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125098 50909729 1 HgSO2C22H30 ABC2D22E30 -68.18 8.63 -7.93 -0.21 2
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125099 50909730 1 ZnN4C40H60 AB4C40D60 40.6 11.63 -5.97 -1.3 0
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125102 50909763 1 ZnO2C8H9 AB2C8D9 -32.29 1.92 0.0 0.0 0
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125103 50909764 1 FeCl2H2O8 AB2C2D8 -159.13 4.53 -11.45 -2.78 0
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125104 50909792 1 OSN3C20H23 ABC3D20E23 25.67 5.41 -8.57 -0.63 0
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125105 50909897 1 N2O12C43H68 A2B12C43D68 -553.54 12.79 -9.05 -0.84 0
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125106 50909907 1 SN4O5H12C13 AB4C5D12E13 -73.98 2.58 -9.74 -1.64 6
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125107 50910053 1 NiN4O4C24H32 AB4C4D24E32 -68.42 5.96 -7.28 -0.8 2
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125108 50910176 1 SnO2P2Cl4N6C48H62 AB2C2D4E6F48G62 -77.95 3.28 -7.64 -3.25 2