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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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125294 50918860 1 O7C19H24 A7B19C24 -141.24 2.54 -9.43 -0.2 0
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125295 50918861 1 NO2C22H33 AB2C22D33 -105.98 2.86 -9.42 -0.02 0
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125296 50918862 1 N3O3C20H27 A3B3C20D27 -115.1 5.51 -8.77 -0.08 0
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125299 50918865 1 O5C19H22 A5B19C22 -184.09 6.02 -10.39 -0.26 0
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125300 50918889 1 NO2C20H25 AB2C20D25 -53.81 2.46 -8.61 0.29 0
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125301 50918890 1 ClNO8C24H26 ABC8D24E26 -309.57 1.69 -9.13 -1.83 0
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125302 50918943 1 NiN2C10H24 AB2C10D24 128.68 3.47 -7.67 -3.78 -2
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125303 50918944 1 BrReO3H10C14 ABC3D10E14 109.93 4.25 -8.24 -2.44 0
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125304 50918947 1 BrNO2H8C9 ABC2D8E9 -37.55 5.14 -7.96 -1.58 0
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125305 50918964 2 NC5H8 AB5C8 67.37 0.72 -8.96 0.56 -2
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125307 50919066 1 NO2C13H13 AB2C13D13 13.46 2.73 -9.79 -1.3 0
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125308 50919133 1 BrSN2O3C21H23 ABC2D3E21F23 -71.91 3.77 -9.02 -1.01 0
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125309 50919215 1 O2N5H15C21 A2B5C15D21 107.09 6.22 -10.17 -0.9 0
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125310 50919328 1 Cl2N10O33C95H102 A2B10C33D95E102 -1201.4 22.15 -7.83 -1.88 1
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125311 50919563 1 CoN4O4C6H22 AB4C4D6E22 -213.38 11.54 0.0 0.0 -4
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125312 50919568 2 ClPtN3C4H13 ABC3D4E13 -0.22 6.71 -8.79 -1.22 0
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125313 50919649 1 FeO48C120H174 AB48C120D174 -1939.38 20.33 -7.2 -1.86 2
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125314 50919706 1 NiN2O8C10H16 AB2C8D10E16 -217.06 7.87 -7.37 -1.8 9
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125317 50919714 1 CoS3N9C33H44 AB3C9D33E44 31.78 5.31 -10.38 -3.56 4
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125318 50919750 1 NiO4F14C20H26 AB4C14D20E26 -715.03 3.57 -7.76 -1.63 4
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125319 50919885 1 CuO6C26H38 AB6C26D38 -168.43 4.92 0.0 0.0 0
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125320 50919959 1 PLi2N4C8O9H11 AB2C4D8E9F11 -408.03 2.77 -9.72 -0.83 0
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125322 50919961 1 NiN4S4C22H28 AB4C4D22E28 184.21 3.74 -7.64 -0.9 3
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125323 50919962 1 CuOSN4C10H11 ABCD4E10F11 353.38 24.38 -8.15 -2.51 3
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125325 50920040 1 OZnN6C40H52 ABC6D40E52 201.9 29.13 -6.04 -2.25 2
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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