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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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60001 26663017 1 N2O5C19H20 A2B5C19D20 -82.03 8.31 -9.28 -1.48 0
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60002 26663018 1 O2S2N3C26H27 A2B2C3D26E27 -22.56 6.21 -8.58 -0.96 0
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60003 26663020 1 O2S2N3C26H27 A2B2C3D26E27 -18.71 3.37 -8.85 -1.19 0
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60004 26663021 1 O2S2N3C26H27 A2B2C3D26E27 -15.46 2.22 -8.88 -1.24 0
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60005 26663041 1 BrN2O5H23C24 AB2C5D23E24 -128.45 4.74 -8.33 -0.65 0
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60006 26663050 1 S2N3O5C23H27 A2B3C5D23E27 -147.82 3.86 -8.58 -1.08 0
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60007 26663153 1 ClN3O5H20C25 AB3C5D20E25 -139.09 5.05 -9.09 -0.93 0
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60008 26664290 1 ClN4O5C24H25 AB4C5D24E25 -97.49 3.99 -9.02 -0.97 0
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60009 26664367 1 BrO2N5H16C22 AB2C5D16E22 79.34 3.83 -9.15 -1.18 0
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60010 26664387 1 FCl2O2N4H19C22 AB2C2D4E19F22 -45.47 3.51 -9.14 -1.14 0
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60011 26664402 1 NCl2O2H17C18 AB2C2D17E18 -56.44 5.18 -8.98 -0.66 0
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60012 26664470 1 ClNO3C19H20 ABC3D19E20 -86.04 4.1 -8.73 -0.28 0
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60013 26664473 1 ClNO3H16C18 ABC3D16E18 -91.36 7.83 -9.05 -1.44 0
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60014 26664482 1 ClNO4H18C23 ABC4D18E23 -96.49 4.1 -8.76 -1.08 0
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60015 26664623 1 NO5H21C24 AB5C21D24 -113.54 8.34 -8.41 -0.74 0
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60016 26664627 1 FNO3C18H18 ABC3D18E18 -118.51 5.18 -8.56 -0.6 0
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60017 26664668 1 N2O3C18H18 A2B3C18D18 9.43 3.58 -9.3 -1.6 0
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60018 26664708 1 O4N5C20H23 A4B5C20D23 -108.98 4.02 -8.89 -0.57 0
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60019 26664814 1 ClN2S2O3C19H19 AB2C2D3E19F19 -72.38 5.9 -9.11 -1.5 0
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60020 26664885 1 FSO2N3H14C17 ABC2D3E14F17 -38.9 2.13 -8.79 -1.21 0
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60021 26664947 1 ClN2O2C21H21 AB2C2D21E21 -7.44 3.71 -9.5 -0.79 0
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60022 26665041 1 SN2O3C21H28 AB2C3D21E28 -96.96 7.84 -9.51 -0.83 0
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60023 26665141 1 SN2O6C25H30 AB2C6D25E30 -202.21 5.11 -8.73 -0.73 0
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60024 26665147 1 S2N3O4C23H25 A2B3C4D23E25 -104.03 4.96 -8.71 -0.93 0
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60025 26665151 1 FSN2O5H23C25 ABC2D5E23F25 -178.94 4.31 -8.74 -1.25 0
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60026 26665154 1 FSN2O5H23C25 ABC2D5E23F25 -166.63 9.34 -8.48 -1.08 0
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60027 26665179 1 FSCl2N3O4H14C21 ABC2D3E4F14G21 -114.01 4.94 -9.08 -1.79 0
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60028 26665193 1 FOCl2N2H7C14 ABC2D2E7F14 -24.51 7.51 -9.59 -1.38 0
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60029 26665195 1 BrClFNO3H12C20 ABCDE3F12G20 -97.1 4.47 -8.71 -1.1 0
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60030 26665206 1 N4O4H12C15 A4B4C12D15 -42.43 5.85 -8.54 -1.78 0
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60031 26665232 1 SF2N3O4H15C21 AB2C3D4E15F21 -147.24 2.81 -8.85 -1.42 0
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60032 26665273 1 S2N4O4C21H24 A2B4C4D21E24 -81.22 5.33 -8.87 -1.52 0
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60033 26665301 1 F2O6H12C17 A2B6C12D17 -282.21 1.86 -10.37 -1.44 0
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60034 26665710 1 ClNO5H20C24 ABC5D20E24 -130.39 5.82 -8.87 -0.9 0
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60035 26665714 1 NO5H21C24 AB5C21D24 -122.16 3.96 -8.93 -0.6 0
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60036 26665812 1 SO2N3H23C25 AB2C3D23E25 -13.31 4.94 -8.66 -0.72 0
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60037 26665850 1 NF3O3H18C19 AB3C3D18E19 -250.56 6.31 -9.4 -0.65 0
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60038 26665855 1 ClN2O7H21C25 AB2C7D21E25 -144.95 8.36 -8.93 -1.91 0
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60039 26665884 1 FNO2C18H20 ABC2D18E20 -108.79 3.58 -8.54 -0.17 0
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60040 26666180 1 N4O4C21H28 A4B4C21D28 -157.38 3.3 -9.22 -0.4 0
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60041 26666196 1 O2N4C23H26 A2B4C23D26 -24.37 5.15 -9.14 -0.54 0
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60042 26666677 1 SN3O3C17H17 AB3C3D17E17 -51.5 3.31 -8.83 -1.12 0
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60043 26666750 1 ClSN3O4H18C23 ABC3D4E18F23 -55.46 3.43 -8.96 -1.27 1
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60044 26666751 1 O3N4C23H41 A3B4C23D41 -168.07 3.96 0.0 0.0 0
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60045 26666784 1 O3N4C23H34 A3B4C23D34 -143.26 4.95 -8.69 0.05 0
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60046 26666807 1 O4N5C22H31 A4B5C22D31 -169.46 8.1 -9.18 -0.65 0
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60047 26666859 1 SN2O2C21H22 AB2C2D21E22 -27.54 4.26 -8.98 -0.67 1
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60048 26666925 1 SN4O4C21H23 AB4C4D21E23 -57.87 5.7 0.0 0.0 0
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60049 26670994 1 SN3O4C25H33 AB3C4D25E33 -139.51 7.19 -8.87 -0.44 1
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60050 26675377 1 ClSO2N3H21C22 ABC2D3E21F22 10.8 7.69 0.0 0.0 1