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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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125327 50920078 1 ZnN6O6C28H44 AB6C6D28E44 -131.17 24.48 -8.85 -4.41 0
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125335 50920220 1 NiO2N4H52C60 AB2C4D52E60 322.18 11.19 -7.65 -3.76 0
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125336 50920221 1 NiN2O3C13H19 AB2C3D13E19 -4.34 2.86 0.0 0.0 -2
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125338 50920273 1 PtN2O4C9H20 AB2C4D9E20 69.04 4.8 -9.36 -4.77 0
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125339 50920389 1 ZnN2O4C21H46 AB2C4D21E46 -268.11 5.62 -8.31 0.82 -1
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125351 50920493 1 CuN2O4C19H42 AB2C4D19E42 -217.24 4.49 0.0 0.0 -6
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125354 50920497 1 Co2O4N7C18H34 A2B4C7D18E34 -127.83 20.14 0.0 0.0 0
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125355 50920613 1 CuC8O10H12 AB8C10D12 -424.54 6.45 0.0 0.0 1
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125356 50920639 1 NOSSnH18C19 ABCDE18F19 98.5 3.23 0.0 0.0 0
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125357 50920698 1 HgN2O4F6C14H22 AB2C4D6E14F22 -442.48 20.8 -8.8 -1.38 0
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125362 50921078 1 Cd4N4O5C12H26 A4B4C5D12E26 -247.56 14.75 -5.71 0.46 2
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125363 50921099 1 CuN9C44H47 AB9C44D47 315.44 5.1 0.0 0.0 0
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125364 50921164 1 SC2Cu2N2O7H14 AB2C2D2E7F14 -300.85 12.01 -8.65 -0.73 6
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125365 50921165 1 NiC2N2O4H20 AB2C2D4E20 -165.57 7.07 -6.86 0.78 -2
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125366 50921166 1 CuN4C14H26 AB4C14D26 124.82 1.49 0.0 0.0 -2
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125368 50921248 1 RuN3O6C12H19 AB3C6D12E19 -47.58 5.12 -7.91 -2.26 0
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125371 50921251 1 Zn4O8C10H21 A4B8C10D21 -234.97 2.5 0.0 0.0 0
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125372 50921351 1 PtC4Cl4H4N4O4 AB4C4D4E4F4 123.15 6.33 -9.15 -2.37 0
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125373 50921415 1 NiO2N5C48H55 AB2C5D48E55 208.57 7.97 -6.95 -1.55 0
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125376 50921500 2 NOC10H11 ABC10D11 2.69 5.02 -8.23 -0.5 2
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125377 50921511 1 CuSN5C16H19 ABC5D16E19 122.31 1.72 0.0 0.0 2
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125378 50921512 1 CuO4N8C16H28 AB4C8D16E28 -28.92 2.86 0.0 0.0 6
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125380 50921865 1 PdCl2N2O2C13H19 AB2C2D2E13F19 48.34 7.41 0.0 0.0 0
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125382 50921867 1 NiO2N8C16H26 AB2C8D16E26 167.27 4.62 -7.55 -0.28 12
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125385 50921928 1 Cu3O4N8C12H32 A3B4C8D12E32 59.95 4.23 0.0 0.0 0
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125386 50922086 1 CuN2O4S4F24C62H64 AB2C4D4E24F62G64 -1306.75 10.69 0.0 0.0 2
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125387 50922094 1 MnN2S2O8C12H26 AB2C2D8E12F26 -283.27 7.76 0.0 0.0 2
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125388 50922095 1 FeN2S2O8C12H26 AB2C2D8E12F26 -307.37 6.07 -6.82 -0.48 3
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125390 50922199 1 S2Zn4O8C14H23 A2B4C8D14E23 -291.0 3.99 0.0 0.0 -2
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125395 50922433 1 ZnN6O6C36H76 AB6C6D36E76 -165.86 12.8 -8.47 -2.05 -2
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125397 50922472 1 OCu2N3C10H14 AB2C3D10E14 84.83 5.51 0.0 0.0 -6
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125401 50922712 1 N4O9C34H60 A4B9C34D60 -400.24 8.6 -9.73 -0.56 0
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125402 50922713 1 ClOSN2H9C16 ABCD2E9F16 48.14 8.05 -9.2 -1.26 0
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125403 50922721 1 NO2C12H21 AB2C12D21 -70.64 2.34 -9.63 0.37 0
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125404 50923007 1 O4H16C19 A4B16C19 -69.04 2.29 -8.84 -0.22 0
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125405 50923118 1 O2N5C23H29 A2B5C23D29 -39.14 1.89 -8.53 -0.68 0
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125406 50923119 1 SO3N6C24H30 AB3C6D24E30 -60.92 6.23 -8.59 -0.81 0
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125407 50923120 1 F3N4O5H23C26 A3B4C5D23E26 -186.57 4.94 -9.54 -1.94 0
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125408 50923121 1 F3N5O5H22C25 A3B5C5D22E25 -172.73 3.49 -9.48 -1.98 0
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125409 50923122 1 F3N4O5H25C27 A3B4C5D25E27 -198.7 6.89 -9.27 -2.11 0
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125410 50923172 2 OC9H11 AB9C11 -64.58 1.35 -8.12 -0.5 0
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125411 50923239 1 BN3O5C14H14 AB3C5D14E14 -213.78 3.66 -9.48 -0.63 0
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125412 50923267 1 SO3N6C25H34 AB3C6D25E34 -79.2 4.11 -8.41 -0.84 0
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125413 50923308 1 O2N9C24H25 A2B9C24D25 56.11 4.11 -8.81 -0.94 0
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125414 50923324 1 NO2F3H10C11 AB2C3D10E11 -207.44 2.84 -9.61 -0.64 0
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125415 50923373 1 SnO2C43H48 AB2C43D48 153.89 41.92 -6.94 -2.65 0
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125416 50923397 1 FO2S2N3H12C17 AB2C2D3E12F17 -12.28 7.12 -9.22 -1.43 0
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125418 50923428 1 FNSeO3H16C18 ABCD3E16F18 -61.73 2.37 -8.11 -0.74 0
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125419 50923503 1 N3O12C90H95 A3B12C90D95 -6.78 13.1 -6.66 -1.67 0
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125420 50923512 1 NSSiCl2C15H15 ABCD2E15F15 -13.9 2.66 -8.73 -0.69 0
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125421 50923531 1 OSCl2N3H13C16 ABC2D3E13F16 19.18 2.28 -9.23 -1.56 0
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125422 50923571 1 NSeO5C19H19 ABC5D19E19 -79.63 5.9 -7.78 -1.46 0
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125423 50923597 1 BO5C17H17 AB5C17D17 -204.59 2.19 -9.05 -1.14 0
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125424 50923869 2 CrC6O10H11 AB6C10D11 -880.86 16.25 -7.29 -0.84 0
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125425 50923870 1 FON3H22C23 ABC3D22E23 -8.25 1.36 -7.74 -0.39 0
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125426 50923871 1 FO2N4C30H33 AB2C4D30E33 -68.44 5.27 -7.79 -0.48 0
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125427 50923872 1 FO2N4C29H31 AB2C4D29E31 -64.45 3.68 -7.8 -0.48 0
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125428 50923874 1 FN7C20H20 AB7C20D20 65.7 2.24 -8.75 -0.87 0
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125429 50923895 1 Si2O5C26H50 A2B5C26D50 -351.67 2.52 -8.72 0.03 0
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125430 50923950 1 ClN2O5H25C28 AB2C5D25E28 -110.8 6.17 -9.2 -0.59 0
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125431 50923951 2 NO3H13C14 AB3C13D14 -139.46 7.88 -9.13 -0.84 0
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125432 50923993 1 OSN6C20H20 ABC6D20E20 67.41 1.55 -8.48 -1.1 0
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125433 50924027 1 FOH13C15 ABC13D15 -33.46 1.48 -9.23 -0.33 0
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125434 50924028 1 FOH17C18 ABC17D18 -11.95 1.02 -9.18 -0.21 0
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125435 50924046 2 OC8H9 AB8C9 -34.02 4.07 -9.64 0.1 0
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125436 50924138 1 ClOSN4H17C20 ABCD4E17F20 40.97 3.33 -8.39 -0.94 0
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125437 50924159 1 N7C18H19 A7B18C19 114.52 3.29 -8.62 -0.62 0
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125438 50924160 1 O2N7C22H25 A2B7C22D25 43.31 5.19 -8.16 -0.69 0
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125439 50924247 1 ClN3O5H20C25 AB3C5D20E25 -87.88 7.82 -9.48 -1.4 0
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125440 50924271 1 FON5C22H24 ABC5D22E24 -11.51 3.87 -8.8 -1.0 0
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125441 50924280 1 F3N4O5H27C28 A3B4C5D27E28 -200.13 6.51 -9.26 -2.03 0
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125442 50924281 1 F3N4O5C29H29 A3B4C5D29E29 -205.72 5.38 -9.7 -2.09 0
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125443 50924475 1 N6H20C23 A6B20C23 139.02 2.23 -8.58 -0.7 0
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125444 50924508 1 NSO4C28H33 ABC4D28E33 -88.76 8.16 -8.76 -0.15 0
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125445 50924600 1 F3O4N7C42H60 A3B4C7D42E60 -193.54 32.7 -7.91 -1.8 0
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125446 50924601 1 F3O4N6H25C26 A3B4C6D25E26 -162.28 8.45 -9.12 -1.7 0
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125447 50924602 1 SO2N4C31H38 AB2C4D31E38 -4.8 7.04 -8.4 -0.8 0
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125448 50924650 1 N3O4H17C20 A3B4C17D20 1.56 5.94 -8.93 -1.52 0
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125449 50924651 1 N2O3H20C21 A2B3C20D21 -36.88 2.5 -8.64 -0.52 0
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125450 50924675 1 NO12C19H25 AB12C19D25 -511.18 8.62 -10.8 0.28 0
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125451 50924688 1 O5C24H40 A5B24C40 -291.86 5.44 -10.14 0.64 0
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125452 50924840 1 O7C22H38 A7B22C38 -275.75 2.66 -9.06 -0.01 0
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125453 50924977 1 NSO5C26H29 ABC5D26E29 -137.65 5.89 -7.98 -0.29 0
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125454 50924978 1 NSO4C24H33 ABC4D24E33 -144.97 5.65 -8.1 -0.4 0
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125455 50924986 1 NC26H31 AB26C31 82.96 2.4 -8.0 0.34 0
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125456 50924987 1 NC24H27 AB24C27 81.45 3.88 -8.02 0.37 0
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125457 50924988 1 NC21H21 AB21C21 93.46 2.78 -8.1 0.02 0
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125458 50924995 4 O5C13H21 A5B13C21 -960.3 5.35 -9.25 0.29 0
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125459 50924996 1 N3O5C56H87 A3B5C56D87 -316.24 7.66 -8.96 0.24 0
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125460 50925103 1 O2F3H11C12 A2B3C11D12 -217.42 3.73 -9.89 -0.68 0
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125461 50925109 1 NOC19H21 ABC19D21 20.92 1.39 -8.82 0.28 0
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125462 50925197 1 FOSN5H18C20 ABCD5E18F20 8.17 4.41 -8.47 -1.03 0
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125463 50925314 1 ClN2O5H27C29 AB2C5D27E29 -118.61 9.28 -9.29 -0.72 0
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125464 50925335 1 N4O5C29H32 A4B5C29D32 -63.67 6.97 -9.23 -1.29 0
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125465 50925366 1 ClN3O3F4C25H26 AB3C3D4E25F26 -289.72 3.66 -9.04 -1.09 0
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125466 50925385 1 N3O4C23H25 A3B4C23D25 -35.24 7.79 -9.08 -1.72 0
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125467 50925386 1 SO3N6C23H26 AB3C6D23E26 38.24 7.94 -9.55 -1.51 0
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125469 50925479 1 N4O4C7H10 A4B4C7D10 -112.99 5.12 -10.71 -1.42 0
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125470 50925480 1 ClNOF3H11C13 ABCD3E11F13 -188.14 4.36 -8.77 -0.65 0
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125471 50925481 1 NOCl2F3H8C12 ABC2D3E8F12 -182.57 2.44 -9.01 -1.02 0