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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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127983 51025531 12 O3C4H5 A3B4C5 -1406.48 15.56 -9.62 -0.43 -1
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127984 51025588 1 NO3C14H18 AB3C14D18 -62.62 3.11 0.0 0.0 0
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127985 51025617 2 OC5H9 AB5C9 -107.29 3.74 -9.91 2.39 0
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127986 51025656 2 ON2C10H13 AB2C10D13 -31.34 4.51 -8.87 -0.12 -2
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127987 51025657 1 BrNO5H12C16 ABC5D12E16 -66.65 6.51 -9.74 -2.33 -2
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127988 51025658 1 BrNO5H12C16 ABC5D12E16 -58.1 2.3 -9.65 -1.97 1
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127989 51025659 1 NO4C17H22 AB4C17D22 -101.04 6.47 0.0 0.0 0
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127990 51025660 1 NO4C17H21 AB4C17D21 -113.99 4.87 -9.2 0.02 1
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127991 51025672 1 N2O4C23H35 A2B4C23D35 -131.14 6.16 0.0 0.0 0
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127992 51025673 1 N2O3C23H28 A2B3C23D28 -43.68 5.17 -8.54 -0.16 0
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127993 51025674 1 ClN2O5H17C19 AB2C5D17E19 -158.06 4.22 -9.09 -0.39 -1
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127994 51025890 1 N2O4C16H23 A2B4C16D23 -135.25 5.69 0.0 0.0 -1
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127995 51025891 1 N2O4C16H23 A2B4C16D23 -163.98 4.09 0.0 0.0 -1
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127996 51025894 1 ClN2O4C22H24 AB2C4D22E24 -113.8 6.43 0.0 0.0 0
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127997 51026101 2 O4C16H21 A4B16C21 -347.55 5.64 -9.59 0.28 0
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127998 51026128 2 NO3H12C15 AB3C12D15 -92.8 3.41 -8.71 -0.56 -1
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127999 51026129 1 ClN2O4C21H22 AB2C4D21E22 -100.3 5.28 0.0 0.0 -1
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128000 51026130 1 ClN2O4C21H22 AB2C4D21E22 -97.37 1.0 0.0 0.0 0
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128001 51026131 1 N2O9C37H44 A2B9C37D44 -293.54 4.4 -8.07 -0.34 0
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128002 51026132 1 Cl2N2O3C18H18 A2B2C3D18E18 -124.86 8.17 -9.02 -0.52 0
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128003 51026133 2 O2C15H22 A2B15C22 -106.9 11.25 -9.26 -1.21 0
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128004 51026134 1 SN2F3O3C17H21 AB2C3D3E17F21 -273.14 6.76 -9.65 -0.82 0
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128005 51026135 1 SN2F3O3C17H21 AB2C3D3E17F21 -273.41 6.86 -9.62 -0.78 0
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128006 51026136 1 ClNO4H22C23 ABC4D22E23 -120.54 6.24 -9.17 -0.59 0
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128007 51026137 1 ClNO4H22C23 ABC4D22E23 -126.13 5.97 -9.19 -0.86 -1
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128008 51026200 1 NSO3C14H16 ABC3D14E16 -55.76 3.31 0.0 0.0 0
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128009 51026251 1 NO2C15H19 AB2C15D19 8.96 6.43 -8.54 0.22 0
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128010 51026311 2 O3C14H19 A3B14C19 -251.92 8.73 -9.35 0.32 0
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128011 51026536 1 NSO4C19H19 ABC4D19E19 -108.54 3.08 -9.32 -0.46 0
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128012 51026537 1 C11H14 A11B14 32.96 0.33 -9.46 1.16 0
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128013 51026538 1 NSeO4C17H21 ABC4D17E21 -145.91 2.0 -8.8 -0.46 0
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128014 51026539 1 SF8H14C19 AB8C14D19 -343.12 3.85 -9.12 -0.33 0
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128015 51026548 1 SO2C25H26 AB2C25D26 13.68 5.06 -9.22 0.34 0
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128016 51026845 1 SN2O2C20H22 AB2C2D20E22 -26.49 5.55 -8.63 -0.43 0
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128017 51026846 1 O3C11H14 A3B11C14 -124.57 2.42 -9.76 0.32 1
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128018 51026937 1 Br4N4C37H51 A4B4C37D51 29.91 4.85 0.0 0.0 -1
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128019 51026952 1 NSO6C24H26 ABC6D24E26 -195.18 5.36 0.0 0.0 0
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128020 51027042 1 NSO3C20H27 ABC3D20E27 -125.46 2.5 -8.9 -0.25 0
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128021 51027043 1 NSO3C20H27 ABC3D20E27 -128.4 5.35 -8.77 -0.18 0
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128022 51027044 1 NO2C8H13 AB2C8D13 -96.39 3.43 -10.39 0.97 0
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128023 51027191 1 SiO7C18H30 AB7C18D30 -357.39 4.97 -9.7 0.65 -1
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128024 51027220 1 N2O5C20H25 A2B5C20D25 -158.01 6.84 0.0 0.0 0
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128025 51027339 1 NO4H15C16 AB4C15D16 -139.63 9.32 -9.7 -0.84 0
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128026 51027432 1 N2O3C22H30 A2B3C22D30 -123.98 4.16 -8.1 -0.04 0
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128027 51027458 1 NO2C14H17 AB2C14D17 8.49 2.91 -8.52 -0.1 0
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128028 51027507 1 O11C25H30 A11B25C30 -426.01 1.4 -9.25 0.12 0
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128029 51027601 1 NO5H23C26 AB5C23D26 -106.74 4.9 -9.08 -0.95 0
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128030 51027792 1 N2O7C20H26 A2B7C20D26 -297.37 4.3 -9.18 -0.68 0
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128031 51027857 1 ClO2C7H7 AB2C7D7 -63.96 2.82 -9.82 -1.09 0
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128032 51027892 1 ClFNOC15H17 ABCDE15F17 -86.34 2.6 -9.2 -0.43 0
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128033 51027997 1 O4C19H28 A4B19C28 -205.14 5.32 -9.74 0.35 0
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128034 51028026 1 ClSO4N8C26H27 ABC4D8E26F27 129.39 12.02 -9.06 -1.67 1
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128035 51028120 1 NOC8H16 ABC8D16 -20.8 1.96 0.0 0.0 0
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128036 51028167 1 OC11H16 AB11C16 -18.84 3.39 -9.8 0.45 0
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128037 51028168 1 OC11H16 AB11C16 -18.53 3.23 -9.86 0.36 0
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128038 51028246 2 O2C9H11 A2B9C11 -156.02 1.84 -9.24 0.31 0
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128039 51028267 1 OSN2C13H16 ABC2D13E16 -32.54 6.31 -8.56 -0.3 0
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128040 51028360 1 SN3O5H25C27 AB3C5D25E27 -74.37 8.49 -8.65 -0.72 0
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128041 51028466 1 OSN2C19H22 ABC2D19E22 1.16 3.93 -8.56 -0.23 0
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128042 51028467 1 NO5C18H19 AB5C18D19 -187.12 6.7 -8.64 -0.17 0
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128043 51028513 1 N3O4H17C19 A3B4C17D19 -48.06 1.91 -9.12 -0.79 0
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128044 51028518 1 N2O3C23H26 A2B3C23D26 -87.71 7.29 -8.24 -0.42 0
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128045 51028519 1 N2O5C40H40 A2B5C40D40 207.01 7.99 -6.72 -3.05 0
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128046 51028617 1 SN2O3C19H22 AB2C3D19E22 -87.29 5.51 -9.22 -0.87 0
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128047 51028648 1 FO2N4C19H21 AB2C4D19E21 -54.76 3.88 -9.64 -0.96 0
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128048 51028731 1 NOC16H21 ABC16D21 -42.36 4.47 -8.6 0.29 -1
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128049 51028732 1 NO4C16H16 AB4C16D16 -94.01 1.97 0.0 0.0 0
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128050 51028772 1 N2O2F3C19H23 A2B2C3D19E23 -236.65 2.87 -9.36 -0.59 0
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128051 51028806 1 OSN3C18H25 ABC3D18E25 -23.57 4.64 -8.37 -0.28 0
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128052 51028807 1 NO3C23H23 AB3C23D23 -72.14 5.2 -9.58 -0.09 -1
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128053 51028808 1 BrClNO3H12C15 ABCD3E12F15 -42.56 3.57 0.0 0.0 0
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128054 51028958 1 O7C19H26 A7B19C26 -313.64 4.17 -10.52 -0.25 0
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128055 51028959 1 NF3O6C36H38 AB3C6D36E38 -319.16 7.45 -8.94 -0.78 1
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128056 51028960 1 NOC16H24 ABC16D24 -0.11 1.21 0.0 0.0 1
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128057 51028961 1 NOC16H24 ABC16D24 -0.58 0.78 0.0 0.0 0
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128058 51029201 1 Cl2N2O3H14C17 A2B2C3D14E17 -61.03 3.09 -9.38 -1.14 0
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128059 51029240 1 NO7H19C20 AB7C19D20 -217.76 5.3 -8.8 -1.41 0
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128060 51029241 1 O3H12C14 A3B12C14 -78.31 6.55 -9.7 -0.46 0
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128061 51029242 1 SC12H14 AB12C14 89.71 3.13 -8.44 0.78 0
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128062 51029276 1 ClN2O6C20H21 AB2C6D20E21 -230.0 4.49 -8.6 -0.38 0
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128063 51029419 1 O7C23H38 A7B23C38 -362.18 7.6 -9.06 0.0 0
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128065 51029459 1 NO8C27H43 AB8C27D43 -419.71 5.2 -9.04 1.74 0
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128066 51029664 1 OCl2N4H12C16 AB2C4D12E16 24.09 3.93 -8.62 -0.8 0
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128067 51029835 1 OSN2H18C23 ABC2D18E23 66.0 5.68 -9.05 -0.89 0
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128068 51029836 1 OSN2H18C23 ABC2D18E23 76.55 6.85 -9.1 -0.7 0
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128069 51029942 1 N3O4H15C18 A3B4C15D18 -77.24 4.56 -8.67 -0.4 0
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128070 51029962 1 FSN4O5C21H27 ABC4D5E21F27 -205.02 5.97 -8.8 -0.91 0
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128071 51030038 1 N3O3C24H31 A3B3C24D31 -79.53 10.69 -8.96 -0.16 0
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128072 51030055 1 FON8H17C19 ABC8D17E19 85.01 1.97 -8.85 -1.3 0
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128073 51030056 1 FON8H19C20 ABC8D19E20 83.07 3.59 -8.66 -1.38 0
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128074 51030164 1 O2F3N4H19C20 A2B3C4D19E20 -145.64 5.43 -8.74 -0.39 0
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128075 51030165 1 O2F3N4H17C20 A2B3C4D17E20 -112.45 5.51 -8.73 -0.69 0
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128076 51030166 1 O2N5C19H21 A2B5C19D21 15.87 4.82 -8.81 -0.42 0
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128077 51030226 1 N2O3C20H26 A2B3C20D26 -85.71 9.52 -9.09 -0.2 0
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128078 51030370 1 O4N5C25H29 A4B5C25D29 -52.74 3.09 -9.05 -0.84 0
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128079 51030371 1 SN5O6C30H37 AB5C6D30E37 -132.01 5.08 -9.06 -0.79 0
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128080 51030372 1 O5N6C29H38 A5B6C29D38 -114.92 4.92 -9.04 -0.84 0
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128081 51030373 1 OSF3N8H17C21 ABC3D8E17F21 -22.51 9.35 -9.66 -1.71 0
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128082 51030415 1 N3O3H25C28 A3B3C25D28 10.25 3.21 -8.86 -0.99 0
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128083 51030457 1 SO2N6C24H24 AB2C6D24E24 60.06 10.05 -8.76 -0.63 0