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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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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
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397432 135030210 1 INSO2H18C22 ABCD2E18F22 15.32 6.85 -8.52 -0.85 0
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397433 135030211 1 ISN2O2H15C22 ABC2D2E15F22 55.32 6.83 -8.92 -1.13 0
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397434 135030214 1 ISN2O4C19H19 ABC2D4E19F19 -34.17 9.31 -9.09 -1.27 0
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397435 135030215 1 INSO2H16C18 ABCD2E16F18 9.6 7.08 -8.6 -0.83 0
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397436 135030218 1 O6C19H20 A6B19C20 -172.89 2.82 -8.42 -0.68 0
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397437 135030219 1 NO3C12H13 AB3C12D13 -81.98 5.07 -10.2 -0.9 0
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397438 135030220 2 O2C9H13 A2B9C13 -157.37 3.96 -8.66 0.32 0
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397439 135030221 1 N2O5C22H24 A2B5C22D24 -118.6 4.09 -9.61 -0.6 0
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397440 135030222 1 N2O4C15H16 A2B4C15D16 -85.38 6.01 -9.66 -0.53 0
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397441 135030223 1 O2N3H9C12 A2B3C9D12 1.29 4.11 -10.41 -0.99 0
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397442 135030224 1 SN6O6C26H34 AB6C6D26E34 -175.22 4.73 -8.32 -0.85 0
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397443 135030225 1 ON4C18H22 AB4C18D22 20.64 6.8 -8.52 -0.22 0
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397444 135030226 1 ON3H9C10 AB3C9D10 55.81 6.06 -9.75 -0.94 0
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397445 135030227 1 SN2O3H12C17 AB2C3D12E17 -41.47 2.91 -9.02 -1.32 0
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397446 135030228 1 SO2N3H21C29 AB2C3D21E29 88.4 5.24 -8.49 -1.51 0
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397447 135030230 1 N2O2F3C27H27 A2B2C3D27E27 -162.54 5.04 -9.15 -0.97 0
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397448 135030232 1 N2O4H18C19 A2B4C18D19 -127.06 4.19 -8.72 -0.3 1
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397449 135030233 1 NO2C11H16 AB2C11D16 -18.67 6.78 0.0 0.0 0
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397450 135030234 8 C2H3 A2B3 -24.09 1.05 -8.97 0.55 0
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397451 135030236 1 BrClO8N9C29H33 ABC8D9E29F33 -291.44 9.68 -9.13 -0.78 0
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397452 135030237 1 PO6C16H19 AB6C16D19 -258.75 0.55 -8.19 -0.14 0
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397453 135030238 1 ClO6H25C26 AB6C25D26 -186.55 4.33 -9.01 -0.68 0
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397454 135030239 1 ClO6H25C26 AB6C25D26 -184.77 3.9 -8.95 -0.58 0
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397455 135030240 1 ClO6H23C25 AB6C23D25 -193.81 6.08 -8.84 -0.5 0
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397456 135030241 1 ClO5H21C23 AB5C21D23 -147.41 1.97 -8.58 -0.27 -1