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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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393987 135022112 2 C12H13 A12B13 101.0 1.74 -7.52 -0.75 0
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393988 135022118 1 SiO3C28H28 AB3C28D28 -62.84 3.74 -9.4 -0.27 0
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393989 135022124 2 N2O2C19H22 A2B2C19D22 135.57 4.54 -8.1 0.19 0
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393990 135022132 1 O3C17H24 A3B17C24 -106.05 3.29 -8.86 0.45 0
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393991 135022134 1 ClSO2H7C10 ABC2D7E10 -41.08 4.07 -9.57 -1.38 0
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393992 135022135 1 OS2H22C23 AB2C22D23 35.07 2.88 -8.12 -0.19 0
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393993 135022137 2 NO2H4C6 AB2C4D6 -32.97 0.02 -9.92 -1.78 0
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393995 135022141 1 O3H20C23 A3B20C23 -40.6 4.01 -8.81 -0.48 0
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393996 135022142 1 FSO2H17C21 ABC2D17E21 -49.81 1.27 -9.1 -0.59 0
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393997 135022143 3 OC6H8 AB6C8 -105.99 3.22 -8.96 -0.52 0
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393998 135022144 1 BKCl2F3C5H7 ABC2D3E5F7 -357.93 8.99 -9.2 0.05 -1
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393999 135022145 1 BCl2F3C5H7 AB2C3D5E7 -239.13 9.3 0.0 0.0 0
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394000 135022146 1 NSO6C13H25 ABC6D13E25 -309.54 5.74 -10.01 0.07 0
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394001 135022147 1 N2H18C25 A2B18C25 190.63 3.06 -9.17 -0.87 0
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394002 135022148 1 SiO6C27H32 AB6C27D32 -244.04 3.91 -9.06 -1.1 0
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394003 135022149 1 SiO5C29H38 AB5C29D38 -198.96 3.95 -8.94 0.13 0
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394005 135022153 1 PS2C14H31 AB2C14D31 -127.8 5.03 -8.75 -0.25 0
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394006 135022154 1 SiO5C27H34 AB5C27D34 -211.98 4.16 -8.89 0.08 0
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394007 135022163 1 Cl2O3H16C21 A2B3C16D21 -63.72 1.21 -8.72 -1.2 0
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394008 135022164 2 ClOH6C10 ABC6D10 -13.21 3.67 -9.1 -0.97 0
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394009 135022165 1 BrO2H13C20 AB2C13D20 14.01 3.49 -8.93 -0.89 0
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394010 135022166 1 NSO7C29H37 ABC7D29E37 -272.57 2.86 -9.04 -0.62 0
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394011 135022167 1 NO3C17H25 AB3C17D25 -149.16 2.46 -9.6 0.02 0
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394012 135022168 1 NOSH15C18 ABCD15E18 51.47 3.95 -8.35 -0.34 0
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394013 135022169 1 ClNO2H8C11 ABC2D8E11 -37.63 6.63 -9.68 -1.17 0
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394014 135022170 1 OF3H13C18 AB3C13D18 -141.81 4.72 -9.12 -0.75 0
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394015 135022171 1 ClS2H19C22 AB2C19D22 64.63 2.78 -8.49 -0.32 0
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394016 135022172 1 PF2O4H23C24 AB2C4D23E24 -234.0 8.68 -8.43 -0.46 0
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394017 135022173 1 SO2H16C17 AB2C16D17 -35.73 2.36 -8.89 -0.3 0
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394018 135022174 1 NSO2H7C9 ABC2D7E9 -25.67 6.08 -9.64 -1.55 0
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394019 135022175 1 NOH13C18 ABC13D18 51.28 5.8 -9.23 -0.88 0
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394020 135022176 1 NO3C18H23 AB3C18D23 -88.33 2.76 -7.86 0.42 0
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394021 135022177 1 NOSSiC17H27 ABCDE17F27 -32.82 3.07 -8.24 0.24 0
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394022 135022178 1 NOSSiC17H27 ABCDE17F27 -25.6 3.54 -8.19 0.44 0
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394023 135022179 1 BrO3C19H19 AB3C19D19 -20.3 1.88 -8.4 -0.15 0
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394024 135022180 1 O3C19H20 A3B19C20 -65.8 3.18 -8.21 -0.18 0
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394025 135022187 1 N2O4C15H22 A2B4C15D22 -135.38 4.14 -9.78 -0.95 1
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394026 135022188 1 N2O4C15H23 A2B4C15D23 -127.62 4.45 0.0 0.0 0
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394029 135022191 2 O3C9H11 A3B9C11 -210.48 2.27 -10.05 -1.01 0
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394030 135022195 1 NOPC19H24 ABCD19E24 -32.98 3.82 -8.59 0.08 0
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394031 135022196 1 O2H14C19 A2B14C19 37.21 4.12 -9.41 -1.51 0
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394032 135022197 2 OH8C10 AB8C10 33.1 4.11 -9.36 -1.46 0
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394033 135022198 1 O4C15H24 A4B15C24 -192.46 5.32 -10.29 -0.36 0
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394034 135022200 1 H22C25 A22B25 84.63 1.02 -8.81 0.27 0
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394035 135022201 20 CH AB 53.06 1.13 -8.62 0.4 0
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394036 135022202 20 CH AB 51.52 0.92 -8.68 0.41 0
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394037 135022203 20 CH AB 51.8 0.74 -8.76 0.34 0
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394038 135022204 1 O3H18C25 A3B18C25 18.45 3.59 -9.02 -0.95 0
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394039 135022205 2 OH10C13 AB10C13 57.64 1.47 -9.12 -0.26 0
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394040 135022206 2 OH10C13 AB10C13 56.72 1.5 -8.63 -0.59 0
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394041 135022207 2 OH10C13 AB10C13 53.95 1.33 -8.45 -0.63 0
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394042 135022208 1 OS2H18C25 AB2C18D25 89.28 4.05 -9.12 -1.14 0
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394043 135022209 2 SH10C13 AB10C13 127.7 1.16 -8.73 -0.35 0
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394044 135022210 2 SH10C13 AB10C13 126.78 1.55 -8.78 -0.36 0
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394045 135022211 1 N2O2H10C13 A2B2C10D13 41.96 2.36 -8.9 -1.29 0
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394046 135022212 1 O5C16H20 A5B16C20 -155.77 2.85 -9.44 -0.05 0
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394047 135022213 1 SO2C18H24 AB2C18D24 -56.91 1.02 -8.24 0.3 0
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394048 135022215 2 N2C6H7 A2B6C7 99.85 4.57 -8.44 0.1 0
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394049 135022216 1 NC14H19 AB14C19 8.48 1.39 -8.6 0.31 0
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394050 135022217 1 ON3C4H6 AB3C4D6 79.76 2.34 0.0 0.0 0
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394051 135022218 2 ON2C8H8 AB2C8D8 31.51 5.43 -9.36 -0.97 0
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394052 135022220 1 ON4C15H16 AB4C15D16 67.0 3.46 -8.78 0.05 0
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394053 135022244 1 S2O3H14C18 A2B3C14D18 -33.19 8.14 -9.57 -1.41 0
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394054 135022247 1 ClNOH14C18 ABCD14E18 35.97 2.7 -8.85 -1.11 0
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394055 135022248 1 ClNO5C15H16 ABC5D15E16 -178.13 1.81 -9.91 -0.7 0
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394056 135022255 1 ClO2H15C18 AB2C15D18 -3.96 2.18 -9.31 -0.31 0
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394057 135022259 1 SO2C18H24 AB2C18D24 -61.7 3.03 -8.63 0.02 0
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394058 135022260 1 O3C23H34 A3B23C34 -140.24 0.68 -9.33 -0.08 0
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394059 135022264 1 NO2C16H19 AB2C16D19 -69.91 3.32 -8.87 0.24 0
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394060 135022265 1 SN2H24C25 AB2C24D25 83.31 6.09 -8.38 -0.75 0
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394061 135022267 1 OSN2H32C33 ABC2D32E33 66.61 5.48 -8.43 -0.73 0
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394062 135022268 1 SO2N6H8C11 AB2C6D8E11 92.32 2.89 -8.97 -1.95 0
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394063 135022270 1 N2O6C15H18 A2B6C15D18 -248.76 2.9 -9.92 -1.27 0
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394064 135022271 1 ClN3O3H24C26 AB3C3D24E26 17.03 3.89 -8.34 -0.53 0
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394066 135022282 1 ClON3H12C14 ABC3D12E14 47.54 2.06 -9.41 -0.69 0
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394067 135022284 1 O4C19H20 A4B19C20 -98.21 2.79 -8.26 -0.22 0
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394068 135022285 1 BrSO3H15C16 ABC3D15E16 -6.02 1.06 -8.44 -0.62 0
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394069 135022286 1 SO3C16H16 AB3C16D16 -51.73 1.56 -8.3 -0.43 0
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394070 135022287 1 BrO3H21C24 AB3C21D24 1.56 1.08 -8.37 -0.35 0
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394071 135022288 1 O3H22C24 A3B22C24 -24.3 1.59 -8.29 -0.15 0
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394072 135022289 1 BrO3H23C25 AB3C23D25 4.94 0.94 -8.41 -0.23 0
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394073 135022292 1 O4H24C25 A4B24C25 -66.46 3.21 -8.32 -0.14 0
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394076 135022295 1 NO6C14H19 AB6C14D19 -215.64 2.91 -9.61 0.01 0
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394077 135022296 1 O6C23H26 A6B23C26 -211.95 1.95 -9.31 -0.31 0
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394078 135022297 1 O3C8H16 A3B8C16 -129.8 1.05 -10.17 0.55 0
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394079 135022298 1 O6C25H30 A6B25C30 -195.33 3.7 -9.31 -0.23 0
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394080 135022299 1 ClNOPC2H7 ABCDE2F7 -87.95 1.33 -9.15 0.32 0
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394081 135022300 1 O3C24H28 A3B24C28 -81.5 1.05 -8.19 -0.02 0
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394082 135022303 1 O4C19H28 A4B19C28 -207.85 4.15 -9.7 0.69 0
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394087 135022309 1 BrO4C24H27 AB4C24D27 -87.92 2.03 -8.34 -0.11 0
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394088 135022310 1 BrO3C23H27 AB3C23D27 -54.45 1.5 -8.36 0.04 0
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394089 135022311 1 O3C23H28 A3B23C28 -83.74 1.66 -8.12 0.01 0
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394090 135022312 1 BrO3C19H19 AB3C19D19 -20.43 1.6 -8.41 -0.25 0
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394091 135022313 1 O3C19H20 A3B19C20 -67.64 2.96 -8.28 -0.25 0
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394092 135022314 1 N3O4H29C33 A3B4C29D33 -20.92 4.88 -8.8 -0.76 0
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394093 135022315 1 N2O3C18H26 A2B3C18D26 -105.64 4.42 -8.78 0.12 0
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394094 135022316 1 N2O3C18H28 A2B3C18D28 -141.04 5.35 -9.26 0.17 0
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394095 135022317 1 N2O5C19H28 A2B5C19D28 -236.02 2.22 -9.67 -0.12 0
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394096 135022318 1 O5C20H24 A5B20C24 -188.63 2.67 -8.59 -0.21 0
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394097 135022322 1 N2H14C17 A2B14C17 86.35 4.38 -9.17 -0.93 0