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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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173336 75624922 1 SN2O2C14H14 AB2C2D14E14 -11.09 3.79 -9.2 -1.06 0
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173337 75624923 1 FN2O2H15C16 AB2C2D15E16 -63.5 2.7 -9.24 -0.86 0
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173338 75625375 1 SO2N5C14H21 AB2C5D14E21 -45.4 4.9 -8.87 -0.46 0
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173339 75625376 1 NF2O4C20H21 AB2C4D20E21 -199.54 4.8 -9.03 -0.78 0
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173340 75625377 1 FO2N5H16C20 AB2C5D16E20 18.38 3.66 -9.48 -1.7 0
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173341 75625500 1 ClO2N5C18H20 AB2C5D18E20 8.99 5.38 -9.46 -1.96 0
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173342 75625591 1 ClFON3C17H19 ABCD3E17F19 -33.0 2.37 -9.15 -0.44 0
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173343 75625592 1 OSN2C17H20 ABC2D17E20 6.79 3.65 -9.22 -0.92 0
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173344 75625593 1 ClN3O3C18H20 AB3C3D18E20 -49.26 5.0 -8.83 -0.32 0
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173345 75625594 1 OSF3N5H10C14 ABC3D5E10F14 -64.93 3.51 -9.49 -2.17 0
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173346 75625759 4 ON2C4H6 AB2C4D6 -84.96 9.43 -10.09 -0.98 0
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173347 75625760 4 ON2C4H6 AB2C4D6 -87.02 7.89 -10.23 -1.04 0
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173348 75625761 1 O3N8C16H24 A3B8C16D24 -49.23 3.43 -10.34 -1.33 0
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173349 75625762 1 ClOSN6H13C16 ABCD6E13F16 88.67 6.43 -9.1 -1.13 0
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173350 75625780 1 ClN3O3C20H26 AB3C3D20E26 -152.18 5.44 -9.68 -0.47 0
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173351 75625900 1 ClO2N3H14C16 AB2C3D14E16 2.07 4.23 -8.91 -1.38 0
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173352 75626396 1 O2S2N3H13C14 A2B2C3D13E14 19.2 3.71 -9.1 -2.01 0
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173353 75626397 1 ClFSO2N3H11C15 ABCD2E3F11G15 -36.07 3.76 -9.5 -1.87 0
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173354 75626531 1 SO4N5C17H23 AB4C5D17E23 -84.85 6.52 -8.82 -0.23 1
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173355 75626979 1 N4O4C19H23 A4B4C19D23 -83.82 1.13 0.0 0.0 1
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173356 75626980 1 BrO4N6C11H14 AB4C6D11E14 -132.09 6.86 0.0 0.0 0
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173357 75627153 1 O2N3C23H25 A2B3C23D25 -8.37 1.7 -9.19 -1.41 0
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173358 75627157 1 N2O2H20C21 A2B2C20D21 2.69 3.6 -9.24 -1.19 1
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173359 75627158 1 N3O3C22H22 A3B3C22D22 -40.55 2.17 0.0 0.0 0
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173360 75627159 1 SO2N3C22H23 AB2C3D22E23 -4.73 6.29 -9.06 -1.9 0
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173361 75627798 1 NO6H47C53 AB6C47D53 -68.31 3.49 -8.31 -0.27 0
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173362 75627799 1 N5O7C36H37 A5B7C36D37 -113.01 3.79 -8.77 -1.08 0
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173363 75627800 1 NO5H39C45 AB5C39D45 -77.23 4.94 -8.88 -0.43 0
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173364 75628611 1 ClSN5O8C21H30 ABC5D8E21F30 -370.33 7.32 -9.56 -0.62 0
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173365 75628652 1 SN13O14C50H83 AB13C14D50E83 -674.95 7.27 -8.23 -0.29 0
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173366 75628710 1 NO4C32H51 AB4C32D51 -207.0 3.86 -9.6 0.7 0
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173367 75628711 1 O3C28H46 A3B28C46 -188.96 2.96 -9.11 0.58 0
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173368 75629483 1 F2N4O8C27H30 A2B4C8D27E30 -374.3 6.28 -9.77 -0.79 0
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173369 75629484 1 F2N4O8C29H34 A2B4C8D29E34 -386.74 7.94 -9.84 -0.79 0
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173370 75629536 1 NO8C23H35 AB8C23D35 -144.63 3.88 -9.24 0.24 -1
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173371 75629657 1 CoP2N21O21C68H95 AB2C21D21E68F95 -834.11 45.68 0.0 0.0 0
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173372 75630203 1 ClSF3O4N5C21H29 ABC3D4E5F21G29 -259.19 4.82 -8.52 -0.98 0
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173373 75630410 1 ClN4O5C23H35 AB4C5D23E35 -256.19 4.99 -9.12 -0.79 0
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173374 75630496 1 NSO2C8H15 ABC2D8E15 -93.25 4.92 -9.11 0.01 0
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173375 75630510 1 FON6C29H29 ABC6D29E29 79.96 10.84 -8.67 -1.44 0
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173376 75630532 1 ClF3N4O6C25H36 AB3C4D6E25F36 -445.12 5.5 -9.11 -1.24 0
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173377 75631029 1 ClNO10C25H32 ABC10D25E32 -445.25 7.01 -9.45 -1.17 0
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173379 75631457 1 Cl3N10O32C92H103 A3B10C32D92E103 -868.74 73.51 -7.66 -3.63 0
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173380 75631571 1 Cl3N11O37C102H118 A3B11C37D102E118 -1047.19 13.33 -7.93 -2.4 0
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173381 75631777 1 F3N3C14H14 A3B3C14D14 -97.31 1.02 -9.03 -0.67 0
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173382 75631820 1 N2O11C21H34 A2B11C21D34 -488.02 1.64 -9.18 -0.06 0
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173383 75631821 1 N4O23C45H70 A4B23C45D70 -1034.44 6.38 -9.56 0.33 0
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173384 75632270 1 ClSN2O5H31C32 ABC2D5E31F32 -136.39 3.99 -9.02 -0.37 0
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173385 75632668 2 N2O3C13H16 A2B3C13D16 -224.97 7.14 -8.94 -0.6 0
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173386 75632735 1 O5N6C13H18 A5B6C13D18 -156.03 4.25 -9.12 -0.55 0