List Systems

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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
303037 124489131 1 ClNSO3C16H22 ABCD3E16F22 -125.45 6.57 -8.93 0.04 0
303038 124489133 1 SO3N5H13C14 AB3C5D13E14 30.83 5.36 -9.12 -1.58 0
303039 124489134 1 SO3N5H13C14 AB3C5D13E14 30.86 6.04 -9.28 -1.57 0
303040 124489135 1 N2O2C15H20 A2B2C15D20 -64.95 2.71 -9.03 -0.15 0
303041 124489136 1 N2O2C15H20 A2B2C15D20 -65.49 4.39 -8.81 0.09 0
303042 124489137 2 NC3H7 AB3C7 -4.55 0.87 -8.5 2.61 0
303043 124489138 2 NC3H7 AB3C7 -6.57 0.56 -8.48 2.61 0
303044 124489139 1 O2N3C9H17 A2B3C9D17 -80.02 5.26 -9.11 0.78 0
303045 124489140 1 O2N3C9H17 A2B3C9D17 -82.59 1.31 -9.01 0.74 0
303046 124489141 1 N2O3C10H18 A2B3C10D18 -121.22 2.41 -9.12 0.55 0
303047 124489144 1 NO2C12H17 AB2C12D17 -65.97 3.64 -9.39 0.16 0
303048 124489148 1 NOC10H15 ABC10D15 -7.31 1.21 -9.24 0.54 0
303049 124489149 1 NOC10H15 ABC10D15 -8.75 2.22 -9.07 0.73 0
303050 124489150 1 OC13H18 AB13C18 -30.39 2.27 -9.1 0.33 0
303051 124489151 1 OC13H18 AB13C18 -30.57 1.8 -8.84 0.55 0
303052 124489152 1 NO3C12H17 AB3C12D17 -132.73 8.11 -9.07 0.2 0
303053 124489153 1 NO3C12H17 AB3C12D17 -130.38 9.53 -8.91 0.38 0
303054 124489155 1 FSN2O3H15C18 ABC2D3E15F18 -96.2 4.38 -8.71 -0.93 0
303055 124489156 1 NOC14H21 ABC14D21 -44.44 2.05 -8.63 0.34 0
303056 124489157 1 NOC14H21 ABC14D21 -50.94 3.09 -8.07 0.51 0
303057 124489158 1 NOC14H21 ABC14D21 -46.12 2.88 -7.91 0.62 0
303058 124489159 1 NOC14H21 ABC14D21 -48.18 1.25 -7.95 0.61 0
303059 124489161 1 ON3C15H19 AB3C15D19 -3.01 5.52 -9.38 -0.76 0
303060 124489162 1 NC13H19 AB13C19 -4.89 2.39 -8.09 0.58 0
303061 124489163 1 NC13H19 AB13C19 -6.84 2.43 -8.18 0.57 0
303062 124489164 1 ClNC10H20 ABC10D20 -45.26 2.57 -8.6 0.82 0
303063 124489165 1 ClNC10H20 ABC10D20 -44.22 1.23 -8.66 0.88 0
303064 124489166 1 ClNC9H18 ABC9D18 -38.55 1.02 -8.65 0.82 0
303065 124489167 1 ClNC9H18 ABC9D18 -37.63 1.15 -8.66 0.88 0
303066 124489169 1 ClNC10H20 ABC10D20 -44.13 3.35 -8.7 1.06 0
303067 124489170 1 ClNC8H16 ABC8D16 -31.95 2.33 -8.58 0.84 0
303068 124489171 1 ClNC8H16 ABC8D16 -31.95 2.25 -8.57 0.8 0
303069 124489172 1 ClNC8H14 ABC8D14 -5.28 2.94 -9.0 0.74 0
303070 124489173 1 ClNC8H14 ABC8D14 -5.29 2.81 -9.0 0.75 0
303071 124489175 2 OSN2C5H6 ABC2D5E6 16.57 6.0 -9.34 -0.97 0
303072 124489176 1 SO2N4C15H18 AB2C4D15E18 14.53 5.03 -9.44 -1.01 0
303073 124489177 1 SO2N4C15H18 AB2C4D15E18 14.12 4.98 -9.28 -0.9 0
303074 124489178 1 SO2N4C15H18 AB2C4D15E18 13.57 5.06 -9.4 -0.74 0
303075 124489179 1 SO2N4C15H18 AB2C4D15E18 13.32 4.99 -9.42 -0.9 0
303076 124489181 1 ON2C19H22 AB2C19D22 -6.07 3.41 -8.67 -0.01 0
303077 124489182 1 ClNOC12H14 ABCD12E14 -34.79 3.0 -9.44 -0.17 0
303078 124489183 1 ClNOC12H14 ABCD12E14 -34.57 3.88 -9.57 -0.3 0
303079 124489184 1 ClNSO2C6H12 ABCD2E6F12 -107.48 4.19 -9.9 0.41 0
303080 124489185 1 ClNSO2C6H12 ABCD2E6F12 -101.94 6.69 -9.4 0.33 0
303081 124489186 1 BrClFH9C13 ABCD9E13 -10.88 2.68 -9.82 -0.66 0
303082 124489187 1 BrClFH9C13 ABCD9E13 -11.02 2.78 -9.82 -0.66 0
303083 124489188 1 FCl2H9C13 AB2C9D13 -22.88 2.72 -9.76 -0.65 0
303084 124489189 1 FCl2H9C13 AB2C9D13 -23.11 2.78 -9.76 -0.64 0
303085 124489190 1 BrClH10C13 ABC10D13 36.99 2.14 -9.65 -0.49 0
303086 124489191 1 BrClH10C13 ABC10D13 37.0 2.19 -9.65 -0.49 0
303087 124489194 1 ClC15H15 AB15C15 14.52 2.47 -9.25 -0.1 0
303088 124489195 1 ClC15H15 AB15C15 14.62 2.39 -9.23 -0.08 0
303089 124489196 1 ClC15H15 AB15C15 16.09 2.64 -9.24 -0.1 0
303090 124489197 1 ClC15H15 AB15C15 15.89 2.98 -9.25 -0.09 0
303091 124489198 1 ClOH13C14 ABC13D14 -8.42 2.19 -9.02 -0.32 0
303092 124489199 1 ClOH13C14 ABC13D14 -8.42 3.33 -8.99 -0.29 0
303093 124489200 1 NO3C13H17 AB3C13D17 -104.92 2.74 -9.09 0.17 0
303094 124489201 1 NO3C13H17 AB3C13D17 -105.79 2.64 -9.21 0.13 0
303095 124489202 1 BrClH10C13 ABC10D13 36.49 2.16 -9.61 -0.78 0
303096 124489203 1 BrClH10C13 ABC10D13 36.55 2.25 -9.63 -0.81 0
303097 124489204 1 BrClH10C13 ABC10D13 35.98 2.15 -9.61 -0.89 0
303098 124489205 1 BrClH10C13 ABC10D13 35.99 1.82 -9.64 -0.93 0
303099 124489206 1 BrC13H17 AB13C17 -4.29 2.28 -9.53 -0.32 0
303100 124489207 1 BrC13H17 AB13C17 -4.72 2.39 -9.47 -0.36 0
303101 124489209 1 BrC13H17 AB13C17 -1.6 2.78 -9.07 -0.29 0
303102 124489210 1 BrC13H17 AB13C17 3.49 2.44 -9.23 -0.34 0
303103 124489211 1 BrC13H17 AB13C17 3.48 2.42 -9.23 -0.36 0
303104 124489213 1 BrC14H19 AB14C19 -1.26 2.45 -9.18 -0.37 0
303105 124489214 1 BrC12H17 AB12C17 -12.34 2.8 -9.22 -0.36 0
303106 124489215 1 BrC12H17 AB12C17 -11.06 2.62 -9.25 -0.22 0
303107 124489216 1 BrC14H19 AB14C19 -1.8 2.52 -9.23 -0.37 0
303108 124489218 1 BrCl2C9H9 AB2C9D9 -11.63 2.22 -9.67 -0.96 0
303109 124489219 1 BrCl2C9H9 AB2C9D9 -11.66 2.12 -9.68 -0.94 0
303110 124489220 1 BrCl2F3H4C8 AB2C3D4E8 -156.41 1.71 -10.05 -1.51 0
303111 124489221 1 BrCl2F3H4C8 AB2C3D4E8 -156.36 1.68 -10.04 -1.52 0
303112 124489223 1 BrC13H19 AB13C19 -11.73 2.18 -9.59 -0.31 0
303113 124489224 1 NO2C13H19 AB2C13D19 -96.79 4.75 -9.06 0.02 0
303114 124489226 1 FON3H18C20 ABC3D18E20 -2.8 2.75 -8.61 -1.02 0
303115 124489227 1 N2O3C22H26 A2B3C22D26 -98.38 4.23 -8.24 0.05 0
303116 124489229 1 ClN2O3C19H19 AB2C3D19E19 -90.03 3.43 -8.44 -0.38 0
303117 124489231 1 N2O3C21H24 A2B3C21D24 -90.44 3.65 -8.46 -0.1 0
303118 124489232 1 N2O3C21H24 A2B3C21D24 -89.48 4.45 -8.26 0.11 0
303119 124489234 1 N2O3C21H24 A2B3C21D24 -88.84 5.46 -8.18 -0.02 0
303120 124489235 1 H3N3C6O7 A3B3C6D7 -28.81 1.92 -11.48 -2.76 0
303121 124489236 2 NOC7H14 ABC7D14 -139.08 2.66 -8.77 1.19 0
303122 124489237 1 BrON2C13H17 ABC2D13E17 -15.95 4.81 -9.13 -0.52 0
303123 124489240 1 ON2F3C13H15 AB2C3D13E15 -155.28 5.43 -9.41 -0.96 0
303124 124489241 1 FON2C14H19 ABC2D14E19 -77.04 5.68 -9.28 -0.29 0
303125 124489243 1 ClON2C14H19 ABC2D14E19 -40.35 3.96 -9.21 -0.28 0
303126 124489244 1 ClON2C14H19 ABC2D14E19 -40.0 6.41 -9.18 -0.26 0
303127 124489245 1 OCl2N2C14H18 AB2C2D14E18 -45.57 4.38 -9.33 -0.46 0
303128 124489247 1 OSN2C15H18 ABC2D15E18 -2.4 3.41 -8.85 -0.74 0
303129 124489250 1 OSN2C13H20 ABC2D13E20 -30.13 5.36 -8.92 -0.3 0
303130 124489251 2 NOC7H10 ABC7D10 -58.24 4.09 -9.15 0.03 0
303131 124489252 2 NOC7H10 ABC7D10 -58.01 4.12 -9.1 0.08 0
303132 124489254 1 BrN2O2C15H17 AB2C2D15E17 -29.37 3.02 -9.24 -0.99 0
303133 124489255 1 BrON2C14H19 ABC2D14E19 -28.5 3.24 -9.29 -0.28 0
303134 124489256 1 BrON2C14H19 ABC2D14E19 -28.31 2.98 -9.28 -0.26 0
303135 124489257 1 BrFON2C13H16 ABCD2E13F16 -62.89 4.69 -9.36 -0.81 0
303136 124489258 1 BrFON2C13H16 ABCD2E13F16 -63.09 5.21 -9.36 -0.84 0