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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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397320 135030035 1 N2O3C20H22 A2B3C20D22 -86.1 3.35 -9.69 -0.71 0
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397321 135030036 1 ON2C16H16 AB2C16D16 12.91 4.8 -9.51 -0.34 0
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397322 135030040 1 NO6C15H19 AB6C15D19 -238.34 5.01 -8.68 -0.14 0
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397323 135030042 1 NO6C16H19 AB6C16D19 -240.41 4.91 -9.42 -0.82 0
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397324 135030043 1 NO5C17H23 AB5C17D23 -228.0 3.27 -8.82 0.03 0
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397325 135030044 1 NO5C20H29 AB5C20D29 -233.58 3.64 -9.3 0.04 0
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397326 135030045 1 NO5C18H27 AB5C18D27 -260.3 3.0 -9.85 0.16 0
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397327 135030046 1 O3C18H20 A3B18C20 -82.1 2.93 -9.06 -0.2 0
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397328 135030053 1 NO2C11H13 AB2C11D13 -30.73 3.75 -9.2 -0.61 0
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397329 135030058 1 NO2F3H16C18 AB2C3D16E18 -183.77 5.05 -9.63 -0.29 0
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397330 135030059 1 BrNO2S2H10C12 ABC2D2E10F12 -25.76 3.94 -9.47 -1.52 0
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397331 135030060 1 NOH17C19 ABC17D19 19.32 3.92 -8.7 -1.21 0
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397332 135030061 1 ClNOH16C19 ABCD16E19 9.53 4.71 -8.9 -1.41 0
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397333 135030062 1 NOH15C18 ABC15D18 23.7 3.86 -8.72 -1.22 0
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397334 135030063 1 ClNOH14C18 ABCD14E18 13.75 4.76 -8.91 -1.42 0
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397335 135030065 1 ClO3N4C25H33 AB3C4D25E33 -87.71 8.28 -9.59 -1.08 0
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397336 135030067 1 SiO4C25H52 AB4C25D52 -315.88 2.36 -8.75 1.28 0
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397337 135030068 1 O4C19H36 A4B19C36 -236.94 5.57 -10.02 0.69 0
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397338 135030069 1 SiO2C22H30 AB2C22D30 -104.51 1.51 -9.02 0.11 0
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397339 135030071 1 SiO4C36H50 AB4C36D50 -214.81 5.49 -8.88 0.24 0
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397340 135030072 1 IC7H13 AB7C13 -3.56 1.98 -9.52 -0.75 0
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397341 135030073 1 NOSC7H11 ABCD7E11 -55.23 3.32 -9.14 -0.13 0
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397342 135030075 1 OSiC19H22 ABC19D22 6.78 3.52 -8.99 -0.33 0
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397343 135030076 1 O2Si2C27H40 A2B2C27D40 -117.86 2.89 -8.86 -0.44 0
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397346 135030081 1 NO3C11H17 AB3C11D17 -145.94 2.18 -9.99 -0.25 0
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397347 135030084 1 O2H12C19 A2B12C19 4.88 0.32 -8.42 -0.73 0
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397348 135030085 2 NO3H8C9 AB3C8D9 -173.96 5.52 -8.99 -1.57 0
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397349 135030086 1 BSiS2C3H11O12 ABC2D3E11F12 -692.29 4.15 -10.66 -1.1 1
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397352 135030091 1 SN2O4C20H20 AB2C4D20E20 -103.75 4.01 -8.47 -0.2 0
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397353 135030092 1 ClSN2O3H17C19 ABC2D3E17F19 -73.26 3.69 -8.74 -0.56 0
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397354 135030096 1 SN2O3C20H20 AB2C3D20E20 -72.02 4.52 -8.4 -0.16 0
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397355 135030103 1 NSSiO6C15H31 ABCD6E15F31 -353.08 7.05 -8.9 -1.06 0
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397356 135030104 1 SiN2O5C21H38 AB2C5D21E38 -300.48 2.29 -8.81 -0.3 0
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397357 135030105 1 F2N3O5H25C29 A2B3C5D25E29 -164.88 5.04 -8.79 -0.98 0
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397358 135030106 1 H8C11 A8B11 143.57 1.97 -8.8 -0.64 0
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397359 135030107 1 LiC29H37 AB29C37 9.13 7.2 -7.6 0.42 0
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397360 135030108 1 C29H38 A29B38 -7.78 0.9 -8.51 -0.21 0
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397361 135030110 2 NOC6H8 ABC6D8 3.03 4.02 -10.24 -0.77 0
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397362 135030113 1 ON2C20H30 AB2C20D30 -0.01 1.12 -8.17 0.33 1
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397363 135030114 1 H11C13 A11B13 86.26 0.73 0.0 0.0 0
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397364 135030115 1 NO4C20H21 AB4C20D21 -136.91 3.84 -8.69 -0.8 0
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397365 135030116 1 NSO4C17H19 ABC4D17E19 -60.16 7.58 -8.61 -0.77 0
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397366 135030117 1 SN2O3C21H26 AB2C3D21E26 -63.36 6.37 -9.15 -0.34 0
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397367 135030119 1 ON3H19C22 AB3C19D22 105.19 9.01 -9.02 -0.59 0
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397368 135030120 1 ON3H19C22 AB3C19D22 105.51 8.84 -8.92 -0.84 0
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397369 135030121 1 N3O3H19C22 A3B3C19D22 43.11 7.94 -8.83 -0.84 0
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397370 135030122 1 N3O3H19C22 A3B3C19D22 44.17 8.03 -9.02 -0.82 0
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397371 135030123 1 NS2F3O5C17H18 AB2C3D5E17F18 -328.55 7.27 -9.94 -0.91 0
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397372 135030124 1 FN2O3C20H21 AB2C3D20E21 -124.23 6.33 -9.22 -1.06 0
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397373 135030125 1 NO4C11H13 AB4C11D13 -143.73 4.92 -9.49 0.13 0
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397374 135030126 1 N2O5C21H24 A2B5C21D24 -92.18 3.79 -9.25 -0.93 0
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397375 135030127 1 N3O3H9C10 A3B3C9D10 2.18 7.85 -9.42 -1.16 0
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397376 135030128 1 NO4C29H29 AB4C29D29 -123.87 3.36 -9.21 -0.34 0
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397377 135030130 1 NO4C25H29 AB4C25D29 -167.01 1.3 -8.89 -0.06 0
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397378 135030131 1 FNO5C24H26 ABC5D24E26 -235.27 2.19 -9.0 -0.47 0
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397379 135030132 1 NO4C18H23 AB4C18D23 -183.45 2.09 -9.21 -0.18 0
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397380 135030133 1 OSiC15H22 ABC15D22 -38.39 3.85 -8.8 -0.04 0
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397381 135030134 1 PN2O12C43H71 AB2C12D43E71 -670.45 8.71 -9.18 0.04 0
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397382 135030135 1 PSiN3O13C45H86 ABC3D13E45F86 -811.59 4.92 -9.26 -0.22 0
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397383 135030136 1 NSO4C22H27 ABC4D22E27 -113.72 8.6 -9.11 -0.44 0
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397384 135030137 1 O9C22H28 A9B22C28 -348.72 3.64 -8.8 -0.04 0
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397385 135030138 1 ON2C22H26 AB2C22D26 -9.24 3.64 -9.11 0.15 0
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397386 135030139 1 FOH15C21 ABC15D21 -20.19 1.4 -8.85 -1.11 0
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397387 135030145 1 SN2O3H12C17 AB2C3D12E17 -19.89 4.03 -9.38 -1.24 0
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397388 135030146 1 SN2O3H12C17 AB2C3D12E17 -29.0 6.55 -9.42 -0.99 0
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397389 135030147 1 IO2C12H13 AB2C12D13 -50.04 0.62 -9.01 -1.08 0
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397390 135030148 1 NSO3H15C16 ABC3D15E16 -58.26 5.59 -9.46 -0.71 0
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397391 135030149 1 ClNSO3H12C15 ABCD3E12F15 -56.18 5.5 -9.65 -1.27 0
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397392 135030150 1 BrNSO3H12C15 ABCD3E12F15 -43.65 5.52 -9.66 -1.32 0
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397393 135030151 1 BrNO2H12C16 ABC2D12E16 7.5 3.52 -8.83 -0.86 0
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397395 135030156 1 N3O6C11H18 A3B6C11D18 -263.24 2.83 0.0 0.0 0
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397396 135030157 1 N3O6C11H17 A3B6C11D17 -259.36 4.46 -9.91 0.47 0
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397397 135030158 1 ClN2C18H19 AB2C18D19 53.94 5.24 -8.27 -0.02 0
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397398 135030160 2 NC9H10 AB9C10 59.28 2.86 -7.99 0.23 0
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397399 135030163 2 NOC9H11 ABC9D11 15.69 6.94 -9.59 -0.44 0
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397400 135030165 1 SiN5O9C51H57 AB5C9D51E57 -234.09 4.07 -8.95 -1.4 0
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397401 135030166 1 OF3C17H21 AB3C17D21 -187.81 6.52 -9.31 -0.23 0
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397402 135030167 2 NOC5H6 ABC5D6 -59.93 3.39 -10.06 -0.7 0
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397403 135030170 1 ON2C35H42 AB2C35D42 16.03 5.87 -8.6 0.15 0
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397404 135030173 1 ClFON2H14C15 ABCD2E14F15 -45.76 5.21 -9.34 -1.08 0
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397405 135030174 1 FON2H13C15 ABC2D13E15 -8.04 6.8 -9.03 -0.93 0
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397406 135030175 1 BrON2S2C18H19 ABC2D2E18F19 33.32 3.94 -8.76 -1.14 0
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397407 135030177 1 BrOSN2C18H23 ABCD2E18F23 -33.39 3.33 -8.99 -0.91 0
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397408 135030178 1 N2C21H24 A2B21C24 37.15 2.42 -8.24 0.34 0
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397409 135030179 1 NO5C18H19 AB5C18D19 -30.85 3.88 -9.6 -0.84 0
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397410 135030180 1 SSiO3C20H28 ABC3D20E28 -134.14 4.92 -9.19 -0.57 0
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397411 135030183 1 ClO2N4C26H35 AB2C4D26E35 -41.02 6.08 -9.48 -1.03 0
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397412 135030184 1 ClO3N4C26H37 AB3C4D26E37 -109.19 2.08 -9.26 -1.03 0
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397413 135030185 1 O3C21H34 A3B21C34 -159.63 1.17 -9.24 1.35 0
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397414 135030187 1 BrOC15H19 ABC15D19 -3.06 3.53 -9.25 0.1 0
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397415 135030188 2 NO2C11H11 AB2C11D11 -155.35 0.03 -9.9 -2.32 0
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397416 135030189 1 S2F6O8H10C13 A2B6C8D10E13 -603.6 5.69 -9.62 -2.0 0
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397424 135030200 1 NOSH23C25 ABCD23E25 31.24 2.7 -8.98 -0.71 0
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397425 135030201 1 OSiC20H22 ABC20D22 42.64 2.81 -9.09 -0.4 0
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397426 135030202 1 SiO2C21H24 AB2C21D24 -24.41 3.57 -9.36 -0.37 0
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397427 135030203 1 OSiH24C28 ABC24D28 98.6 1.11 -8.57 -0.45 0
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397428 135030204 1 F3O3H13C18 A3B3C13D18 -216.73 4.87 -10.06 -1.03 0
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397429 135030206 1 SO3C7H8N8 AB3C7D8E8 -2.44 3.26 -9.21 -1.68 0
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397430 135030208 1 O2N5H9C13 A2B5C9D13 51.89 9.17 -8.65 -1.38 0
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397431 135030209 1 O3N6H12C13 A3B6C12D13 -11.45 7.72 -8.71 -1.39 0