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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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141063 52811862 1 FSO3N4C19H19 ABC3D4E19F19 -96.82 9.14 -8.61 -0.54 0
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141064 52812018 1 N2O4C21H26 A2B4C21D26 -156.56 4.68 -8.68 -0.49 0
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141065 52812121 1 ClNO5C20H26 ABC5D20E26 -197.12 3.56 -8.6 -0.53 0
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141066 52812520 1 O3N4H14C16 A3B4C14D16 41.23 3.39 -9.16 -1.25 0
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141067 52812617 1 SF2N3O3H13C16 AB2C3D3E13F16 -124.64 6.29 -9.41 -1.52 0
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141068 52812665 1 SO3N4C13H22 AB3C4D13E22 -108.99 4.15 -10.13 -0.34 0
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141069 52813037 1 ON4C20H20 AB4C20D20 55.1 5.02 -9.13 -0.83 0
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141070 52813038 2 ON2C7H11 AB2C7D11 -78.61 5.53 -9.68 0.09 0
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141071 52813053 1 N4O4C21H22 A4B4C21D22 -69.32 5.31 -8.95 -0.22 0
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141072 52813447 1 O4N5C23H23 A4B5C23D23 -11.59 7.11 -9.11 -1.66 0
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141073 52813448 1 SO3N5H17C21 AB3C5D17E21 72.69 7.89 -9.09 -1.63 0
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141074 52813477 1 FSO3N5H16C21 ABC3D5E16F21 21.39 3.43 -9.2 -1.59 0
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141075 52813478 1 O3N7H13C17 A3B7C13D17 110.49 5.07 -9.53 -1.68 0
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141076 52813775 1 N2O4C17H18 A2B4C17D18 -107.09 6.21 -9.44 -1.14 0
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141077 52814176 1 ClSN2O5H21C22 ABC2D5E21F22 -168.05 2.0 -9.22 -1.4 0
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141078 52814215 1 N2S2O4C21H28 A2B2C4D21E28 -177.62 2.34 -8.37 -0.78 0
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141079 52814329 1 BrSN3O3C20H20 ABC3D3E20F20 -38.89 5.08 -9.54 -0.94 1
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141080 52814540 1 BrON5C23H27 ABC5D23E27 92.42 3.43 0.0 0.0 0
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141081 52814578 1 O3N5H23C24 A3B5C23D24 -5.68 6.04 -9.07 -0.83 0
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141082 52815557 1 FOSN2C19H23 ABCD2E19F23 -53.39 4.5 -9.29 -1.26 0
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141083 52815652 1 O4N5C19H23 A4B5C19D23 -52.07 9.73 -9.36 -0.91 1
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141084 52816078 1 ClN2O4C25H34 AB2C4D25E34 -118.77 6.15 0.0 0.0 0
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141085 52816079 1 ClN2O4C25H33 AB2C4D25E33 -139.41 2.57 -8.11 -0.44 1
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141086 52816134 1 N2O5C25H35 A2B5C25D35 -144.12 5.12 0.0 0.0 0
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141087 52816401 1 SN2O3C15H24 AB2C3D15E24 -128.97 4.09 -9.46 -0.77 0
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141088 52816402 1 SN2O3C15H24 AB2C3D15E24 -127.6 6.19 -9.49 -0.82 0
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141089 52816403 1 SN2O4H22C24 AB2C4D22E24 -67.24 3.43 -8.86 -0.82 0
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141090 52816871 1 SN2O3C23H26 AB2C3D23E26 -71.79 4.67 -8.67 -0.27 0
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141091 52816872 1 FO2S2N3H20C22 AB2C2D3E20F22 -53.88 4.41 -8.7 -1.57 0
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141092 52816873 1 S2N3O6C20H21 A2B3C6D20E21 -126.38 5.71 -8.91 -1.98 0
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141093 52816874 1 FSO2N4H21C22 ABC2D4E21F22 -37.96 5.42 -8.64 -1.18 1
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141094 52817186 1 ON6C23H29 AB6C23D29 83.46 7.28 0.0 0.0 0
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141095 52817222 1 ClOS2N5H12C17 ABC2D5E12F17 111.33 4.18 -8.92 -1.49 0
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141096 52817430 1 NO4C18H27 AB4C18D27 -182.41 5.1 -9.14 -0.09 0
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141097 52817441 1 ON7C18H21 AB7C18D21 71.58 4.21 -8.62 -0.44 0
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141098 52817442 1 O3N8C15H16 A3B8C15D16 66.49 12.75 -9.74 -1.06 0
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141099 52817821 1 SF2N2O4C21H24 AB2C2D4E21F24 -229.15 7.96 -9.45 -0.95 0
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141100 52817822 1 F2O3N4H20C22 A2B3C4D20E22 -100.7 7.47 -8.67 -0.7 0
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141101 52818026 1 SN2O3C18H22 AB2C3D18E22 -102.02 2.36 -9.38 -0.9 0
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141102 52818527 1 SN2O3C18H20 AB2C3D18E20 -61.22 6.72 -8.26 -0.5 0
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141103 52818593 1 SF2O2N4H12C15 AB2C2D4E12F15 -62.61 3.36 -8.84 -1.28 0
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141104 52818882 1 SF3N3O3H20C21 AB3C3D3E20F21 -257.05 6.94 -8.68 -0.87 0
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141105 52819223 2 NOC12H14 ABC12D14 -36.73 4.24 -8.62 0.08 0
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141106 52819633 1 SO2N4H24C26 AB2C4D24E26 13.15 6.15 -7.94 -1.21 -1
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141107 52819692 1 SN4O6C22H25 AB4C6D22E25 -110.12 10.65 0.0 0.0 0
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141108 52819774 1 SN3O6C23H35 AB3C6D23E35 -267.79 9.93 -9.49 -0.62 0
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141109 52820028 1 FSN3O3C23H30 ABC3D3E23F30 -147.91 3.0 -8.54 -0.95 0
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141110 52820485 1 BrN2O2C18H21 AB2C2D18E21 -42.17 2.37 -8.98 -0.24 0
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141111 52820609 1 BrO2N3C18H26 AB2C3D18E26 -89.92 5.51 -8.96 -0.35 1
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141112 52820610 1 BrO2N3C18H27 AB2C3D18E27 -75.39 9.54 0.0 0.0 0