List Systems

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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
294100 117427122 1 ClFNO3H9C12 ABCD3E9F12 -97.05 3.57 -9.9 -1.57 0
294101 117427129 1 ClFO2N3H9C11 ABC2D3E9F11 -51.28 1.58 -8.93 -0.75 0
294102 117427147 1 ClNO4C12H12 ABC4D12E12 -112.38 6.61 -9.06 -1.02 0
294103 117427152 1 ClNO4C12H12 ABC4D12E12 -131.68 4.61 -9.29 -0.84 0
294104 117427157 1 ClNO4C12H12 ABC4D12E12 -137.31 3.77 -9.02 -0.51 0
294105 117427167 1 ClNO4C12H12 ABC4D12E12 -128.46 6.31 -8.84 -1.5 0
294106 117427180 1 ClN3O3C11H12 AB3C3D11E12 -29.93 3.99 -8.76 -0.77 0
294107 117427188 1 ClN3O3C11H12 AB3C3D11E12 -27.06 3.82 -8.57 -1.6 0
294108 117427193 1 ClN3O3C11H12 AB3C3D11E12 -33.99 5.77 -8.28 -1.84 0
294109 117427194 1 ClN3O3C11H12 AB3C3D11E12 -23.2 3.75 -8.82 -0.94 0
294110 117427206 1 ClNSO3H8C11 ABCD3E8F11 -37.0 5.54 -9.07 -1.29 0
294111 117427220 1 ClFON3C12H13 ABCD3E12F13 -32.75 1.67 -8.81 -0.32 0
294112 117427228 1 ClFNO2C13H13 ABCD2E13F13 -105.15 3.88 -9.27 -0.56 0
294113 117427235 1 ClFNO2C13H13 ABCD2E13F13 -100.91 4.71 -9.44 -0.68 0
294114 117427240 1 ClFNO2C13H13 ABCD2E13F13 -103.68 4.72 -9.3 -0.77 0
294115 117427243 1 ClFNO2C13H13 ABCD2E13F13 -105.97 4.89 -9.21 -0.54 0
294116 117427246 1 ClFNO2C13H13 ABCD2E13F13 -92.27 5.7 -9.7 -0.63 0
294117 117427247 1 ClFNO2C13H13 ABCD2E13F13 -92.74 3.57 -9.71 -0.66 0
294118 117427276 1 ClNO3C13H16 ABC3D13E16 -79.95 2.72 -8.63 -0.37 0
294119 117427282 1 ClNO3C13H16 ABC3D13E16 -103.24 3.37 -8.78 -0.22 0
294120 117427305 1 ClNO3C13H16 ABC3D13E16 -77.66 3.33 -8.65 -0.32 0
294121 117427314 1 ClNO3C13H16 ABC3D13E16 -126.61 3.92 -8.62 0.01 0
294122 117427321 1 ClNO3C13H16 ABC3D13E16 -102.91 3.44 -9.18 -0.27 0
294123 117427324 1 ClNO3C13H16 ABC3D13E16 -132.89 6.06 -8.89 -0.3 0
294124 117427325 1 ClNO3C13H16 ABC3D13E16 -136.26 7.71 -8.93 -0.27 0
294125 117427363 1 ClNO3C13H16 ABC3D13E16 -140.73 5.75 -9.01 -0.26 0
294126 117427373 1 ClNO3C13H16 ABC3D13E16 -109.73 1.47 -8.65 -0.48 0
294127 117427378 1 ClNO3C13H16 ABC3D13E16 -109.73 3.48 -8.99 -0.47 0
294128 117427386 1 ClNO3C13H16 ABC3D13E16 -119.7 3.82 -9.12 -0.62 0
294129 117427399 1 ClNO3C13H16 ABC3D13E16 -123.42 6.17 -9.07 -0.3 0
294130 117427405 1 ClNO3C13H16 ABC3D13E16 -122.11 4.33 -8.86 -0.16 0
294131 117427455 1 ClNO3C13H16 ABC3D13E16 -101.15 4.08 -8.98 -0.45 0
294132 117427476 1 ClNO3C13H16 ABC3D13E16 -92.66 5.53 -8.97 -0.79 0
294133 117427479 1 ClNO3C13H16 ABC3D13E16 -105.39 5.39 -9.33 -0.91 0
294134 117427485 1 ClNO3C13H16 ABC3D13E16 -114.81 5.69 -9.0 -0.41 0
294135 117427487 1 ClNO3C13H16 ABC3D13E16 -57.12 3.8 -8.79 -0.19 0
294136 117427506 1 ClNO3C13H16 ABC3D13E16 -108.88 2.41 -8.65 -0.55 0
294137 117427528 1 ClNO3C13H16 ABC3D13E16 -89.31 5.77 -9.13 -0.89 0
294138 117427560 1 ClOSN3C11H12 ABCD3E11F12 20.27 4.39 -8.66 -0.71 0
294139 117427612 1 ClNO2C14H20 ABC2D14E20 -77.63 0.83 -8.72 -0.1 0
294140 117427670 1 ClNO2C14H20 ABC2D14E20 -70.52 2.62 -8.5 -0.12 0
294141 117427676 1 ClNO2C14H20 ABC2D14E20 -78.49 3.11 -8.3 -0.02 0
294142 117427683 1 ClNO2C14H20 ABC2D14E20 -73.33 5.51 -8.51 -0.13 0
294143 117427717 1 ClNO2C14H20 ABC2D14E20 -61.77 2.54 -8.72 -0.1 0
294144 117427770 1 ClNO2C14H20 ABC2D14E20 -78.44 4.78 -8.38 -0.07 0
294145 117427830 1 ClNO2C14H20 ABC2D14E20 -81.02 5.13 -8.32 -0.02 0
294146 117427846 1 ClNO2C14H20 ABC2D14E20 -88.07 5.31 -8.53 -0.09 0
294147 117427898 1 ClNO2C14H20 ABC2D14E20 -83.89 0.73 -8.57 -0.06 0
294148 117428183 1 BrFNOH9C11 ABCDE9F11 -48.61 3.8 -9.07 -0.6 0
294149 117428184 1 BrFNOH9C11 ABCDE9F11 -48.68 2.66 -9.05 -0.65 0
294150 117428329 1 BrNOC12H16 ABCD12E16 -6.12 2.13 -9.03 -0.19 0
294151 117428340 1 BrNOC12H16 ABCD12E16 -9.74 3.13 -8.96 -0.21 0
294152 117428347 1 BrNOC12H16 ABCD12E16 -27.8 5.04 -8.7 -0.14 0
294153 117428348 1 BrNOC12H16 ABCD12E16 -3.67 2.66 -8.94 -0.31 0
294154 117428804 1 F2N2O2C13H16 A2B2C2D13E16 -155.09 7.88 -9.27 -0.94 0
294155 117428826 1 O6C13H18 A6B13C18 -231.36 5.82 -9.12 -0.03 0
294156 117428858 1 N2O3H14C15 A2B3C14D15 -17.24 6.55 -8.24 -0.66 0
294157 117428871 1 N2O3H14C15 A2B3C14D15 -10.41 5.53 -9.3 -1.32 0
294158 117428881 2 ON2C7H7 AB2C7D7 8.68 9.28 -8.78 -0.65 0
294159 117428886 2 ON2C7H7 AB2C7D7 19.79 2.68 -8.47 -0.82 0
294160 117428948 1 SO5C12H14 AB5C12D14 -181.47 3.83 -8.5 -0.74 0
294161 117429223 1 SO4C13H18 AB4C13D18 -153.56 6.15 -8.56 -0.44 0
294162 117429290 2 OC9H11 AB9C11 -65.19 1.36 -9.1 0.07 0
294163 117429304 1 ON2C17H22 AB2C17D22 -4.08 2.93 -8.41 -0.65 0
294164 117429313 1 ON2C17H22 AB2C17D22 -13.56 3.58 -8.5 -0.02 0
294165 117429347 1 ON2C17H22 AB2C17D22 -15.76 4.49 -8.75 -0.02 0
294166 117429400 2 N2C8H11 A2B8C11 58.52 1.3 -8.65 -0.19 0
294167 117429523 1 ClN2O4C11H11 AB2C4D11E11 -77.64 5.52 -8.84 -0.97 0
294168 117429720 1 ClO4C13H15 AB4C13D15 -162.99 4.56 -8.98 -0.48 0
294169 117430198 1 BrFON2H8C10 ABCD2E8F10 -2.62 4.59 -9.29 -0.92 0
294170 117430503 1 BrOC13H19 ABC13D19 -52.91 3.66 -9.35 -0.06 0
294171 117430639 1 FNO5C12H14 ABC5D12E14 -222.98 4.96 -8.89 -0.59 0
294172 117430641 1 FNO5C12H14 ABC5D12E14 -227.38 4.21 -9.54 -0.97 0
294173 117430643 1 FNO5C12H14 ABC5D12E14 -228.59 7.8 -9.26 -0.98 0
294174 117430723 1 N3O3H13C14 A3B3C13D14 -64.02 8.05 -8.7 -0.79 0
294175 117430899 1 NF2O2C14H19 AB2C2D14E19 -160.74 2.71 -8.58 -0.11 0
294176 117431066 1 O2N3C15H17 A2B3C15D17 -17.1 7.74 -10.11 -0.96 0
294177 117431419 1 NO2C17H21 AB2C17D21 -55.03 4.23 -9.1 -0.31 0
294178 117431427 1 NO2C17H21 AB2C17D21 -26.55 1.69 -9.01 0.15 0
294179 117431598 1 ON3C16H21 AB3C16D21 33.91 2.66 -8.65 -0.22 0
294180 117431602 1 ON3C16H21 AB3C16D21 33.21 4.88 -8.63 -0.11 0
294181 117431619 1 N5C15H21 A5B15C21 76.93 2.5 -8.72 -0.37 0
294182 117431651 1 NO2S2C12H17 AB2C2D12E17 -53.88 5.01 -8.74 -0.8 0
294183 117431662 1 NOC18H25 ABC18D25 -45.08 3.56 -9.18 0.08 0
294184 117433758 1 SO5C12H16 AB5C12D16 -205.46 10.75 -9.74 -0.73 0
294185 117433845 2 NOC8H10 ABC8D10 -49.61 4.58 -8.42 0.1 0
294186 117433892 2 NOC8H10 ABC8D10 -11.93 6.0 -8.58 -0.41 0
294187 117433893 2 NOC8H10 ABC8D10 -21.71 6.37 -8.81 -0.46 0
294188 117433954 1 ON4C15H20 AB4C15D20 43.44 3.14 -8.59 -0.71 0
294189 117434023 2 OC9H12 AB9C12 -83.65 5.39 -9.48 0.0 0
294190 117434034 2 OC9H12 AB9C12 -106.44 5.0 -9.25 0.12 0
294191 117434144 2 NC9H14 AB9C14 -6.74 2.76 -8.63 0.48 0
294192 117434150 2 NC9H14 AB9C14 -7.73 2.39 -8.65 0.41 0
294193 117434401 1 ClFO3C13H14 ABC3D13E14 -150.85 6.51 -9.19 -0.51 0
294194 117434405 1 ClFO3C13H14 ABC3D13E14 -147.03 5.75 -9.02 -0.41 0
294195 117434472 1 ClFO3C13H14 ABC3D13E14 -142.68 5.08 -9.18 -0.64 0
294196 117434491 1 ClFO3C13H14 ABC3D13E14 -177.41 3.29 -9.55 -0.87 0
294197 117434562 1 ClO4C13H17 AB4C13D17 -172.65 5.6 -8.97 -0.23 0
294198 117434576 1 ClO4C13H17 AB4C13D17 -169.15 8.57 -8.69 -0.25 0
294199 117434582 1 ClO4C13H17 AB4C13D17 -163.92 3.93 -8.56 -0.25 0