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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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81093 49854344 1 BrSF2O3N5H16C18 ABC2D3E5F16G18 -134.64 6.25 -8.68 -0.6 0
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81094 49854345 1 ClSF3O4N5C22H23 ABC3D4E5F22G23 -251.67 4.97 -8.68 -0.42 0
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81095 49854346 1 SCl2O4N6C18H18 AB2C4D6E18F18 -69.71 6.04 -8.82 -0.79 0
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81096 49854347 1 ClSN5O6C21H24 ABC5D6E21F24 -156.22 5.56 -8.38 -0.61 0
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81097 49854349 1 BrFO2N4C22H28 ABC2D4E22F28 -103.62 7.02 -8.62 -0.87 0
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81098 49854350 1 FIO2N4C22H28 ABC2D4E22F28 -88.75 5.58 -8.82 -1.19 0
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81099 49854351 1 S2N8O12C29H36 A2B8C12D29E36 -356.47 10.05 -8.6 -2.31 0
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81100 49854352 1 S2N8O12C29H36 A2B8C12D29E36 -426.23 4.43 -8.85 -1.52 0
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81101 49854353 1 S2N9O12C27H35 A2B9C12D27E35 -400.93 8.35 -8.31 -1.55 0
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81102 49854354 1 SN7O10C33H47 AB7C10D33E47 -370.31 3.85 -9.19 -0.75 0
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81103 49854355 1 SN4O5H24C25 AB4C5D24E25 -52.76 8.3 -8.98 -1.12 0
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81104 49854356 1 SN4O5C26H26 AB4C5D26E26 -69.39 5.38 -9.04 -1.14 0
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81105 49854357 1 SN4O4H22C24 AB4C4D22E24 -15.79 4.43 -9.06 -1.2 0
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81106 49854358 1 SO4N5C24H25 AB4C5D24E25 -21.05 8.34 -9.07 -1.25 0
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81107 49854359 1 SN4O4C26H26 AB4C4D26E26 -39.84 7.16 -9.26 -1.12 0
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81108 49854360 1 O2S2N5C18H23 A2B2C5D18E23 -47.2 4.86 -8.51 -0.96 0
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81109 49854361 1 O2S2N5C19H25 A2B2C5D19E25 -54.59 4.43 -8.48 -0.93 0
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81110 49854362 1 O2S2N5C17H21 A2B2C5D17E21 -26.87 4.15 -8.49 -0.94 0
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81111 49854363 2 OSN3C10H14 ABC3D10E14 -49.3 3.58 -8.2 -0.65 0
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81112 49854364 1 FO2S2N5C18H22 AB2C2D5E18F22 -90.72 2.82 -8.62 -1.07 0
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81113 49854365 1 O2S2N5C18H21 A2B2C5D18E21 -12.82 3.94 -8.39 -0.8 0
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81114 49854366 2 NO2C12H14 AB2C12D14 -113.53 5.82 -8.93 -0.28 0
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81115 49854367 1 FN2O4C24H27 AB2C4D24E27 -160.64 2.46 -8.83 -0.29 0
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81116 49854368 1 N2O4C25H30 A2B4C25D30 -129.89 4.7 -8.37 0.12 0
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81117 49854370 1 FN2O3C24H27 AB2C3D24E27 -139.57 3.56 -8.92 -0.61 0
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81118 49854371 1 N2O3C24H30 A2B3C24D30 -109.59 8.16 -8.6 0.14 0
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81119 49854372 1 ON3C19H23 AB3C19D23 -7.67 5.6 -8.23 -0.05 0
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81120 49854373 2 NOC12H12 ABC12D12 -6.15 1.92 -8.26 -0.03 0
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81121 49854374 1 N3O3C17H17 A3B3C17D17 -3.93 1.25 -8.22 -1.41 0
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81122 49854375 1 N2O3C19H20 A2B3C19D20 -82.44 2.99 -8.24 -0.81 0
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81123 49854376 1 FON2C17H17 ABC2D17E17 -43.7 2.59 -8.12 -0.31 0
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81124 49854377 1 ON2H22C23 AB2C22D23 29.47 3.69 -8.21 -0.04 0
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81125 49854378 2 ClON2C4H10 ABC2D4E10 -160.94 8.51 -9.53 -1.31 0
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81126 49854379 2 ON2C4H9 AB2C4D9 -74.78 5.41 -9.25 0.44 0
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81127 49854380 1 ClSN3O5C25H26 ABC3D5E25F26 -124.55 9.97 -8.81 -1.16 0
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81128 49854381 1 BrSN3O5C25H26 ABC3D5E25F26 -114.2 3.97 -8.88 -1.08 0
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81129 49854382 1 ClS2N4O5H25C26 AB2C4D5E25F26 -124.19 9.12 -8.3 -1.22 0
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81130 49854383 1 ClSO4N5H24C27 ABC4D5E24F27 -64.98 10.01 -8.88 -1.72 0
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81131 49854384 1 SO4N5H27C28 AB4C5D27E28 -64.92 7.26 -8.52 -1.58 0
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81132 49854385 1 ClS2F3O3N5H23C28 AB2C3D3E5F23G28 -168.22 5.67 -8.97 -1.7 0
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81133 49854386 1 SN5O6C27H31 AB5C6D27E31 -188.99 8.34 -8.76 -1.66 0
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81134 49854388 1 N3O5C41H55 A3B5C41D55 -180.91 2.91 -8.5 -0.33 0
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81135 49854389 1 N3O6H25C26 A3B6C25D26 -166.43 5.39 -8.59 -0.68 0
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81136 49854390 1 N3O4C33H39 A3B4C33D39 -110.54 5.94 -8.42 -0.21 0
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81137 49854391 1 N3O5C36H45 A3B5C36D45 -165.75 6.42 -8.61 -0.37 0
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81138 49854392 1 ON3C13H23 AB3C13D23 -48.25 2.24 -9.0 1.22 0
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81139 49854393 1 OF3N9H22C23 AB3C9D22E23 -78.98 9.05 -8.61 -0.73 0
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81140 49854394 1 O2N10C21H28 A2B10C21D28 1.73 3.36 -8.36 -0.5 0
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81141 49854395 1 O2N10C23H32 A2B10C23D32 -15.42 3.19 -8.34 -0.46 0
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81142 49854396 1 ON9C19H25 AB9C19D25 41.41 4.33 -8.3 -0.31 0
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81143 49854397 1 ON9C18H23 AB9C18D23 50.01 4.23 -8.27 -0.37 0
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81144 49854398 2 OF2N2C10H11 AB2C2D10E11 -238.88 2.44 -9.1 -0.52 0
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81145 49854400 1 O2F3N4C19H21 A2B3C4D19E21 -196.57 3.85 -8.93 -0.26 0
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81146 49854401 1 ClO2F3N4C18H18 AB2C3D4E18F18 -197.3 2.02 -9.07 -0.62 0
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81147 49854402 1 O2N4F6H18C19 A2B4C6D18E19 -348.57 1.38 -9.12 -1.01 0
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81148 49854404 1 BrN2O3H19C22 AB2C3D19E22 -13.2 3.05 -8.75 -0.62 0
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81149 49854405 1 FN2O3H19C22 AB2C3D19E22 -56.82 5.47 -8.75 -0.51 0
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81150 49854406 1 FSN3O5C21H26 ABC3D5E21F26 -174.7 3.62 -9.31 -0.64 0
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81151 49854407 1 SN3O5C22H29 AB3C5D22E29 -133.74 4.95 -8.61 -0.52 0
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81152 49854408 1 SN3O5C25H29 AB3C5D25E29 -110.85 4.27 -9.13 -0.72 0
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81153 49854409 1 SCl2N3O5C21H25 AB2C3D5E21F25 -144.43 5.04 -9.35 -0.78 0
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81154 49854411 1 SCl2N3O5C21H25 AB2C3D5E21F25 -142.37 8.81 -9.36 -1.01 0
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81155 49854412 1 N5O5H23C28 A5B5C23D28 -53.07 7.76 -9.46 -1.34 0
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81156 49854413 5 NOC7H7 ABC7D7 -83.24 4.35 -8.64 -0.9 0
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81157 49854414 1 F2O3N5H37C40 A2B3C5D37E40 -86.14 8.81 -8.95 -0.83 0
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81158 49854415 1 F2O3N5H33C38 A2B3C5D33E38 -95.46 6.15 -9.2 -0.84 0
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81159 49854416 1 ON2C19H20 AB2C19D20 37.07 0.73 -8.23 -0.09 0
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81160 49854417 1 SN2C17H24 AB2C17D24 39.75 1.25 -8.54 0.15 0
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81161 49854418 1 OSN2C17H20 ABC2D17E20 21.97 1.59 -8.25 -0.51 0
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81162 49854419 1 O2N3C23H27 A2B3C23D27 -12.37 3.58 -8.39 0.14 0
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81163 49854420 1 N2O3C20H28 A2B3C20D28 -109.76 2.25 -8.42 0.19 0
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81164 49854421 1 O2N3C18H25 A2B3C18D25 -40.13 3.12 -8.31 0.26 0
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81165 49854422 1 ON2C18H24 AB2C18D24 21.33 1.43 -8.27 0.28 0
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81166 49854423 1 N2O3C18H24 A2B3C18D24 -92.25 3.15 -8.36 0.2 0
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81167 49854424 1 O3N4C19H22 A3B4C19D22 -75.76 7.93 -9.12 -0.4 0
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81168 49854425 1 O3N4C19H22 A3B4C19D22 -78.12 7.7 -9.16 -0.4 0
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81169 49854426 1 O3N4C20H24 A3B4C20D24 -87.49 5.88 -8.88 -0.56 0
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81170 49854427 4 NOC5H6 ABC5D6 -115.19 5.62 -9.11 -0.44 0
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81171 49854428 4 NOC5H6 ABC5D6 -113.97 9.44 -9.13 -0.42 0
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81172 49854429 1 O4N5C19H21 A4B5C19D21 -107.53 11.19 -9.08 -0.64 0
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81173 49854430 1 O3N4C20H24 A3B4C20D24 -86.73 6.53 -8.94 -0.37 0
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81174 49854431 1 O3N4H22C25 A3B4C22D25 -33.94 4.86 -9.41 -0.9 0
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81175 49854432 1 O3N4H24C26 A3B4C24D26 -43.23 7.25 -9.17 -0.68 0
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81176 49854433 1 ON4C18H18 AB4C18D18 16.86 7.43 -9.24 -0.68 0
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81177 49854434 1 N5O5C27H33 A5B5C27D33 -200.8 8.94 -9.0 -0.84 0
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81178 49854435 1 O3N5C22H25 A3B5C22D25 -90.88 11.6 -8.72 -0.66 0
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81179 49854436 1 O3N5C22H25 A3B5C22D25 -89.38 9.17 -8.91 -0.77 0
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81180 49854437 1 NaS2N6O11C19H27 AB2C6D11E19F27 -457.46 5.74 -8.91 -0.96 0
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81181 49854438 1 O7C27H34 A7B27C34 -261.11 5.97 -9.71 -1.39 2
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81182 49854439 1 MgSO2F3N3H14C16 ABC2D3E3F14G16 -146.83 6.88 -5.87 -0.73 2
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81183 49854440 1 MgSO2F3N3H14C16 ABC2D3E3F14G16 -150.07 4.43 -6.07 -0.86 0
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81184 49854441 2 NO12C25H47 AB12C25D47 -1154.87 6.99 -8.61 -0.53 0
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81185 49854442 1 SF2O2N5H15C17 AB2C2D5E15F17 -72.68 4.05 -8.66 -0.53 0
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81186 49854443 1 BrSO4N5C19H20 ABC4D5E19F20 -65.73 6.27 -8.44 -0.79 0
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81187 49854444 1 FSO3N5C18H18 ABC3D5E18F18 -66.22 3.4 -8.38 -0.38 0
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81188 49854445 1 BrSO4N5C19H20 ABC4D5E19F20 -62.26 5.41 -8.45 -0.51 0
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81189 49854446 1 SO2F3N5H14C17 AB2C3D5E14F17 -121.15 7.09 -8.83 -0.75 0
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81190 49854447 1 SO2F3N5H14C17 AB2C3D5E14F17 -119.29 4.92 -8.82 -0.66 0
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81191 49854448 1 O2N7C30H43 A2B7C30D43 -25.6 1.56 -8.67 0.08 0
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81192 49854449 1 O2N7C31H45 A2B7C31D45 -25.07 7.94 -8.62 0.04 0