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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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381350 134972060 1 NO3C16H19 AB3C16D19 13.27 6.85 -10.13 -1.28 0
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381351 134972061 1 NSiO5C43H51 ABC5D43E51 -67.16 4.66 -8.99 -1.35 0
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381352 134972062 1 NO18C33H39 AB18C33D39 -758.5 1.74 -10.01 -1.3 0
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381353 134972063 2 O3C10H12 A3B10C12 -206.0 2.16 -9.34 -0.62 0
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381354 134972064 2 O2C11H17 A2B11C17 -186.86 2.05 -8.9 0.59 0
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381355 134972065 1 OC11H16 AB11C16 -5.16 2.04 -9.73 1.25 -1
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381356 134972067 1 NOC12H16 ABC12D16 9.64 1.55 0.0 0.0 0
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381357 134972068 1 NOC12H17 ABC12D17 -11.74 6.42 -8.17 0.07 0
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381358 134972069 1 NSi2O5C32H65 AB2C5D32E65 -374.64 9.31 -8.65 0.33 0
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381359 134972070 1 NO2C10H17 AB2C10D17 -41.51 2.59 -9.87 0.67 0
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381360 134972073 1 NSiO3C20H31 ABC3D20E31 -184.67 2.96 -8.63 -0.37 0
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381361 134972075 1 N2O5C22H22 A2B5C22D22 -136.38 3.85 -9.12 -1.09 0
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381362 134972077 1 NOC12H21 ABC12D21 -40.59 1.66 -8.18 1.38 0
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381363 134972080 1 ClO6H29C31 AB6C29D31 -150.36 2.25 -9.28 -1.91 0
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381364 134972081 1 PN2O6H39C40 AB2C6D39E40 -140.39 3.24 -8.93 -0.48 0
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381365 134972082 2 O3C10H12 A3B10C12 -207.42 4.71 -9.04 -0.58 0
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381366 134972083 1 O7C21H26 A7B21C26 -241.21 5.41 -8.81 -0.46 0
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381367 134972084 1 O9C23H30 A9B23C30 -327.45 6.12 -8.6 -0.12 0
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381368 134972085 1 N2O5C22H24 A2B5C22D24 -135.41 6.11 -9.6 -0.88 0
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381369 134972086 1 PN2O6H39C40 AB2C6D39E40 -131.24 5.59 -8.45 -0.54 1
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381370 134972087 1 PN2O6C40H40 AB2C6D40E40 -152.12 2.8 0.0 0.0 0
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381371 134972088 2 NO2C7H12 AB2C7D12 -175.11 2.48 -9.38 -0.2 0
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381372 134972089 1 NO2C25H25 AB2C25D25 -4.13 2.84 -8.5 -0.43 1
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381373 134972090 1 NO2C26H30 AB2C26D30 -16.55 4.22 0.0 0.0 0
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381374 134972091 1 NO2C26H29 AB2C26D29 -38.74 3.16 -8.39 0.05 0
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381377 134972094 4 H4C5 A4B5 117.86 2.44 -8.52 -0.61 0
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381378 134972095 1 ON2C24H28 AB2C24D28 11.29 1.28 -8.68 -0.71 0
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381379 134972096 1 SiO4C18H32 AB4C18D32 -241.22 2.52 -9.02 0.04 0
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381380 134972097 1 N5O5C29H33 A5B5C29D33 -178.2 9.53 -8.74 -0.27 0
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381381 134972098 1 NO2C13H17 AB2C13D17 -53.58 2.24 -8.86 0.03 0
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381382 134972099 1 N2O3C21H22 A2B3C21D22 -55.54 3.34 -7.98 -1.6 0
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381383 134972100 1 N3O5H17C19 A3B5C17D19 -49.14 7.76 -8.93 -2.01 0
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381384 134972101 1 N4O9C32H36 A4B9C32D36 -310.03 2.52 -8.6 -0.98 0
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381385 134972102 2 N2O5C16H18 A2B5C16D18 -348.88 2.07 -8.29 -0.98 0
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381386 134972104 2 BrPO2C10H10 ABC2D10E10 -202.26 4.8 -8.31 -1.13 0
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381387 134972105 1 BrH19C21 AB19C21 59.91 2.78 -8.33 -1.12 1
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381388 134972106 1 PO4C21H22 AB4C21D22 -112.22 4.58 0.0 0.0 0
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381389 134972107 1 ClP2O6C24H31 AB2C6D24E31 -351.34 3.63 -9.15 -0.24 0
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381390 134972108 1 O4C17H22 A4B17C22 -157.63 3.1 -9.74 -0.19 0
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381391 134972109 1 O7C23H30 A7B23C30 -295.84 2.02 -9.66 -0.07 0
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381392 134972110 1 O7C23H30 A7B23C30 -293.87 0.93 -9.67 -0.06 0
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381393 134972111 2 O2C14H15 A2B14C15 -107.99 1.53 -9.26 0.04 0
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381394 134972113 1 O2N3H17C22 A2B3C17D22 28.32 4.51 -7.97 -1.67 0
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381395 134972114 1 ClO2N3H16C22 AB2C3D16E22 17.79 6.02 -8.05 -1.78 0
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381396 134972116 1 Cl2P2O5C25H30 A2B2C5D25E30 -307.63 9.3 -9.15 -0.7 0
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381397 134972117 1 PO3C20H21 AB3C20D21 -142.97 3.63 -8.14 -0.86 0
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381398 134972118 1 Cl2O3H8C15 A2B3C8D15 -47.97 3.46 -9.21 -1.41 0
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381399 134972119 1 ON2H10C11 AB2C10D11 31.71 5.79 -8.81 -0.44 0
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381400 134972120 1 ISnO2C19H35 ABC2D19E35 -125.71 3.02 -9.16 -0.67 0
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381401 134972121 1 OSC13H20 ABC13D20 -53.24 1.1 -8.76 0.48 0
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381402 134972122 2 O3C8H10 A3B8C10 -254.18 2.64 -10.08 -0.65 0
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381403 134972123 1 O8C31H40 A8B31C40 -322.61 1.79 -9.39 -0.5 0
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381404 134972124 1 O9C14H20 A9B14C20 -416.64 2.42 -10.75 0.44 0
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381405 134972125 1 SO4C9H10 AB4C9D10 -134.44 4.86 -8.68 -0.32 0
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381406 134972126 1 Cl2O2C9H14 A2B2C9D14 -128.19 4.65 -10.84 -0.36 0
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381407 134972127 1 ClIO3C5H6 ABC3D5E6 -106.0 6.01 -10.26 -2.05 0
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381408 134972132 1 OBr2N4H16C20 AB2C4D16E20 50.18 4.64 -8.67 -0.69 0
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381409 134972133 1 BrN3O6C26H26 AB3C6D26E26 -212.33 4.98 -9.16 -0.86 0
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381410 134972135 1 NO10C33H33 AB10C33D33 -336.12 2.66 -9.15 -1.82 0
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381411 134972136 1 NO6C15H15 AB6C15D15 -222.93 5.92 -9.58 -1.18 0
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381412 134972137 1 O4H26C29 A4B26C29 -98.69 3.88 -8.53 -0.4 0
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381413 134972138 1 O18C27H38 A18B27C38 -808.31 1.08 -10.29 0.43 0
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381414 134972139 1 O26C39H54 A26B39C54 -1156.86 5.27 -10.24 0.09 0
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381415 134972140 1 N2O5C22H24 A2B5C22D24 -121.33 6.59 -9.33 -0.99 1
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381416 134972141 1 N2O5C22H25 A2B5C22D25 -141.68 3.24 0.0 0.0 0
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381417 134972142 1 N2O4C19H30 A2B4C19D30 -161.7 1.17 -8.89 -0.38 0
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381418 134972143 1 O3C14H20 A3B14C20 -111.23 2.64 -9.74 -0.05 0
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381419 134972145 1 N5O9C18H25 A5B9C18D25 -368.73 4.02 -10.32 -1.46 0
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381420 134972146 1 NO3C31H51 AB3C31D51 -214.34 4.65 -9.39 -0.22 0
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381421 134972147 1 ClN3O3H18C24 AB3C3D18E24 -30.56 2.39 -8.27 -2.02 0
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381422 134972148 1 ClN2O2H15C22 AB2C2D15E22 28.56 1.48 -8.16 -1.94 0
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381423 134972149 2 NO2H8C11 AB2C8D11 -52.02 2.86 -8.8 -2.04 0
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381424 134972150 1 ON2C24H24 AB2C24D24 30.25 2.7 -8.31 -0.08 0
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381425 134972151 1 O2C19H22 A2B19C22 -5.94 4.92 -9.02 -1.3 0
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381426 134972152 1 ISnO2C17H33 ABC2D17E33 -128.4 2.09 -7.94 -0.76 0
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381427 134972153 1 IPdSnO2C17H33 ABCD2E17F33 14.41 18.58 -5.47 -2.46 0
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381428 134972154 1 SnO2C17H34 AB2C17D34 -141.79 1.5 -9.7 0.29 0
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381429 134972155 1 PdSnO2C19H34 ABC2D19E34 88.0 5.74 -4.62 -2.97 0
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381430 134972156 1 N2O6C45H60 A2B6C45D60 -262.42 3.7 -8.0 -0.88 0
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381432 134972162 1 NSiO8C31H51 ABC8D31E51 -415.95 3.89 -8.87 0.12 0
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381433 134972164 1 N2O6C25H42 A2B6C25D42 -286.43 2.4 -8.61 -0.54 0
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381434 134972165 1 SO3H8C13 AB3C8D13 -30.26 3.96 -8.96 -1.38 0
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381435 134972166 1 O3C12H20 A3B12C20 -173.7 2.95 -9.66 0.8 -1
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381436 134972167 1 NOH8C9 ABC8D9 56.59 3.76 0.0 0.0 0
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381437 134972171 1 SiO2C27H32 AB2C27D32 -76.82 1.27 -8.92 -0.02 0
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381438 134972172 1 SiO2C27H32 AB2C27D32 -90.05 2.79 -8.61 0.05 -1
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381439 134972173 1 NPO8C14H25 ABC8D14E25 -333.25 7.62 0.0 0.0 0
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381440 134972176 1 NO3H13C16 AB3C13D16 -66.91 3.65 -9.57 -1.02 0
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381441 134972178 1 O2C19H24 A2B19C24 -57.98 0.44 -9.28 -0.21 0
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381442 134972179 1 SeSiO3C21H34 ABC3D21E34 -184.45 2.31 -8.69 -0.69 0
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381443 134972180 1 F2N2O5C24H26 A2B2C5D24E26 -250.17 4.92 -9.51 -1.06 0
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381444 134972181 1 N2Cl4O5C24H24 A2B4C5D24E24 -186.92 6.12 -9.55 -1.16 0
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381445 134972182 1 NC9H17 AB9C17 -9.47 2.32 -8.01 1.63 0
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381446 134972186 1 BrC7H11 AB7C11 1.77 1.75 -9.46 0.02 0
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381447 134972187 1 O6H16C21 A6B16C21 -139.35 3.0 -8.86 -1.64 0
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381448 134972190 1 N4O5C22H24 A4B5C22D24 -169.83 2.51 -8.76 -0.63 0
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381449 134972191 1 N4O5C22H24 A4B5C22D24 -175.65 3.84 -8.9 -0.47 0
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381450 134972192 4 O2C4H5 A2B4C5 -313.22 6.16 -9.25 -0.14 0
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381451 134972195 4 H5C7 A5B7 173.16 0.27 -8.02 -1.01 0
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381452 134972196 1 NSSi2O4C25H43 ABC2D4E25F43 -259.81 1.78 -8.68 -0.51 0