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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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18048 535135 3 C5H8 A5B8 2.76 1.19 -9.05 1.52 0
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18049 535138 6 C2H3 A2B3 44.4 0.56 -8.94 0.78 0
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18050 535144 1 O2C15H26 A2B15C26 -131.61 0.89 -9.53 0.97 0
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18051 535230 1 O2S2F3N3H20C23 A2B2C3D3E20F23 -138.37 5.93 -8.79 -1.88 0
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18052 535364 1 SN3C19H23 AB3C19D23 70.58 3.95 -8.35 -0.36 0
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18053 535365 1 OC19H28 AB19C28 -23.71 4.51 -8.09 0.56 0
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18054 535599 1 FO2N3C12H16 AB2C3D12E16 -33.41 8.15 -8.8 -1.01 0
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18055 535600 1 O4N5C13H13 A4B5C13D13 6.75 7.66 -9.37 -1.89 0
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18056 535615 1 NO4C11H19 AB4C11D19 -180.08 2.05 -9.25 0.7 0
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18057 535621 1 SCl2N4H8C9 AB2C4D8E9 87.34 5.26 -8.38 -1.76 0
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18058 535689 1 N3O3C12H23 A3B3C12D23 -148.34 4.13 -9.32 0.47 0
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18059 535748 1 OSN4C6H10 ABC4D6E10 26.23 3.32 -8.84 -1.08 0
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18060 535761 1 NC9H17 AB9C17 -19.23 2.43 -9.9 1.28 0
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18061 535860 1 NO3C11H17 AB3C11D17 -146.87 5.18 -9.06 0.64 0
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18062 535878 1 O3N4C11H18 A3B4C11D18 -91.98 3.89 -9.88 0.4 0
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18063 535887 1 SN3C6H13 AB3C6D13 16.68 1.29 -8.73 -0.26 0
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18064 536022 1 ClOSN2C17H23 ABCD2E17F23 -15.37 5.59 -8.19 -0.21 0
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18065 536068 1 SO3N4C18H20 AB3C4D18E20 -12.68 3.82 -8.64 -0.68 0
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18066 536160 2 OC4H6 AB4C6 -39.06 1.46 -9.9 0.73 0
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18067 536215 1 OSiC21H44 ABC21D44 -179.14 1.81 -8.92 1.45 0
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18068 536349 1 O2F3C7H11 A2B3C7D11 -263.48 3.97 -11.46 -0.33 0
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18069 536414 1 ClN2O2F3C27H28 AB2C2D3E27F28 -177.37 5.48 -9.42 -1.37 0
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18070 536482 1 O2N3C10H19 A2B3C10D19 -94.9 2.61 -9.41 0.14 0
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18071 536583 1 NPC13H18 ABC13D18 15.8 4.57 -8.83 -0.62 0
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18072 536613 1 NSCl2C19H31 ABC2D19E31 -50.39 1.72 -8.8 -0.62 0
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18073 536634 1 N2F3O4C23H23 A2B3C4D23E23 -187.36 7.43 -9.24 -1.66 0
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18074 536635 1 SO6C28H38 AB6C28D38 -269.31 3.88 -8.78 -1.03 0
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18075 536636 1 OC27H42 AB27C42 -106.94 2.27 -8.59 0.49 0
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18076 536637 2 O4H9C17 A4B9C17 -144.02 3.57 -8.53 -2.13 0
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18077 536668 1 NO2C6H9 AB2C6D9 -31.63 2.1 -9.12 0.34 0
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18078 537053 1 ClN4C29H49 AB4C29D49 -36.03 7.54 -10.42 -0.08 0
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18079 537215 1 NO2C7H11 AB2C7D11 -79.6 2.01 -10.17 0.3 0
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18080 537396 2 OC3H6 AB3C6 -96.97 1.23 -9.96 1.89 0
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18081 537464 1 O4C9H14 A4B9C14 -189.1 3.39 -10.15 0.34 0
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18082 537523 1 ClON3H14C19 ABC3D14E19 68.85 9.61 -9.65 -1.12 0
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18083 537666 1 O9C29H40 A9B29C40 -410.19 5.58 -9.42 0.48 0
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18084 537708 1 OCl3C7H9 AB3C7D9 -71.29 4.16 -9.99 -0.38 0
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18085 537719 2 SC4H9 AB4C9 -43.18 2.48 -8.74 -0.74 0
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18086 537722 1 OSC5H10 ABC5D10 -58.46 1.15 -9.3 0.24 0
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18087 537723 2 SC4H9 AB4C9 -42.46 2.18 -8.79 -0.77 0
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18088 537724 1 N2O2C7H12 A2B2C7D12 -31.93 7.3 -9.33 -0.74 0
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18089 537725 1 N2O2C7H13 A2B2C7D13 -34.92 7.11 0.0 0.0 1
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18090 537726 1 NO2C12H23 AB2C12D23 -51.79 3.09 -8.75 -0.52 0
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18091 537734 1 BrFO2C10H10 ABC2D10E10 -115.25 2.61 -9.59 -0.65 0
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18092 537765 2 C6H13 A6B13 -64.91 0.09 -10.53 4.11 0
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18093 537936 1 N2O5C11H12 A2B5C11D12 -124.6 7.58 -10.46 -1.63 0
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18094 537995 1 SO3C12H12 AB3C12D12 -55.44 2.92 -10.19 -0.58 0
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18095 538071 1 O5C26H40 A5B26C40 -283.81 4.92 -9.8 0.61 0
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18096 538074 1 SO6C36H54 AB6C36D54 -329.74 6.91 -9.44 -0.6 0
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18097 538084 2 OC8H14 AB8C14 -118.38 2.25 -8.99 0.73 0
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18098 538165 1 O6C19H26 A6B19C26 -273.93 4.58 -9.74 0.65 0
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18099 538179 2 O4C12H17 A4B12C17 -346.69 3.3 -9.95 0.52 0
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18100 538186 1 O11C26H34 A11B26C34 -441.88 3.64 -9.77 -0.58 0
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18101 538218 1 ClNOC15H22 ABCD15E22 -53.4 2.79 -8.9 -0.17 0
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18102 538237 1 NO2C10H19 AB2C10D19 -125.59 3.45 -9.34 1.21 0
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18103 538239 1 NO6C11H19 AB6C11D19 -290.44 4.46 -10.11 0.49 0
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18104 538240 1 OC8H18 AB8C18 -88.8 2.15 -10.1 2.96 0
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18105 538241 1 NO5C24H43 AB5C24D43 -292.26 3.71 -9.77 0.34 0
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18106 538242 1 O3C7H14 A3B7C14 -152.58 3.28 -10.05 1.63 0
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18107 538243 1 NO5C8H13 AB5C8D13 -233.07 1.27 -10.1 0.22 0
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18108 538244 1 O3C13H24 A3B13C24 -177.3 2.74 -9.86 1.83 0
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18109 538245 1 O3C10H18 A3B10C18 -160.65 2.84 -10.44 0.2 0
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18110 538246 1 OSC8H16 ABC8D16 -76.92 1.55 -9.34 0.23 0
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18111 538248 1 NO11C18H27 AB11C18D27 -526.33 6.91 -10.01 0.26 0
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18112 538254 1 NO7C26H47 AB7C26D47 -400.82 5.03 -10.02 0.64 0
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18113 538267 1 O2C9H16 A2B9C16 -99.44 2.22 -9.95 0.38 0
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18114 538281 1 O6C25H38 A6B25C38 -288.0 3.54 -9.8 -0.01 0
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18115 538289 1 O3C14H26 A3B14C26 -176.05 3.56 -10.05 0.72 0
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18116 538323 1 BO3C9H17 AB3C9D17 -220.24 1.04 -10.04 0.36 0
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18117 538345 1 O3C8H14 A3B8C14 -86.52 1.74 -9.81 1.36 0
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18118 538346 1 N4O4C17H24 A4B4C17D24 -69.1 5.48 -9.57 -1.45 0
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18119 538347 1 O6C19H32 A6B19C32 -299.3 1.51 -10.18 0.22 0
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18120 538349 2 ClOC3H4 ABC3D4 -96.62 3.18 -10.58 0.13 0
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18121 538365 1 NO3C7H13 AB3C7D13 -85.44 1.46 -9.89 0.38 0
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18122 538394 1 ClNO2C5H6 ABC2D5E6 -71.08 2.69 -11.01 -0.1 0