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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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185349 77288550 1 NSO4C23H37 ABC4D23E37 -209.29 5.27 -8.79 0.13 0
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185350 77288551 1 FN3O3C21H24 AB3C3D21E24 -97.93 3.89 -8.94 -1.0 0
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185351 77288610 1 FN4O8C37H51 AB4C8D37E51 -360.81 9.35 -8.06 -0.62 0
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185352 77288692 1 O2F3N4H9C18 A2B3C4D9E18 -101.59 8.33 -9.65 -1.97 0
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185353 77288693 2 O2C13H20 A2B13C20 -205.29 3.76 -9.34 0.18 0
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185354 77288694 2 ON2C5H9 AB2C5D9 -76.19 5.57 -9.56 0.05 0
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185355 77288996 1 ClF3N3O4C37H39 AB3C3D4E37F39 -238.98 5.3 -9.13 -0.72 0
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185356 77288997 1 SO6C20H28 AB6C20D28 -246.37 5.85 -9.09 0.19 0
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185357 77289048 1 O2N4C25H28 A2B4C25D28 4.99 6.0 -9.01 -0.64 0
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185358 77289049 1 O3C20H32 A3B20C32 -183.69 3.68 -9.48 0.34 0
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185359 77289050 1 O2F3N4H25C29 A2B3C4D25E29 -89.73 3.28 -8.9 -0.89 0
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185360 77289051 1 F3N4O9C45H45 A3B4C9D45E45 -313.71 4.61 -8.89 -1.18 0
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185361 77289052 1 N4O7C43H44 A4B7C43D44 -84.58 8.25 -8.75 -1.16 0
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185362 77289053 1 F3N4O4H13C18 A3B4C4D13E18 -161.21 10.06 -9.86 -1.34 0
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185363 77289054 1 F3N4O4H13C18 A3B4C4D13E18 -158.04 6.9 -9.54 -1.85 0
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185364 77289380 1 SN4O7C34H52 AB4C7D34E52 -275.86 6.63 -8.23 0.22 0
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185365 77289412 2 ON3C12H13 AB3C12D13 -16.73 5.96 -8.21 -0.36 0
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185366 77289413 1 O3C24H40 A3B24C40 -201.57 3.89 -9.94 0.45 0
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185367 77289414 1 N2C33H52 A2B33C52 -57.45 0.93 -8.13 0.4 0
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185368 77289862 1 O7C33H38 A7B33C38 -228.1 3.88 -9.25 0.12 0
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185369 77290057 1 FN2O2C19H27 AB2C2D19E27 -116.84 6.53 -9.13 0.07 0
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185370 77290058 1 O3N5C19H23 A3B5C19D23 -70.23 4.53 -9.8 -1.16 0
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185371 77290305 1 O3N5C23H29 A3B5C23D29 -85.81 4.36 -8.43 -0.19 0
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185372 77290809 1 BrClSN5C15H17 ABCD5E15F17 32.47 2.63 -8.31 -1.0 0
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185373 77290810 1 N2O3C16H24 A2B3C16D24 -128.87 3.22 -9.43 0.22 0
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185374 77290811 1 O2N3C8H9 A2B3C8D9 29.9 5.71 -8.99 -0.93 0
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185375 77290812 1 ClN2O4C20H21 AB2C4D20E21 -113.54 2.78 -8.97 -0.69 0
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185376 77291688 1 PN5O8C24H32 AB5C8D24E32 -350.27 7.98 -8.84 -0.4 1
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185377 77291712 1 SN3O14C42H44 AB3C14D42E44 -356.57 3.71 0.0 0.0 0
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185378 77292042 1 OCl2N3C27H27 AB2C3D27E27 5.08 4.02 -9.25 -0.33 0
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185379 77292170 1 SF3N3O4C27H30 AB3C3D4E27F30 -266.82 7.65 -9.34 -1.2 0
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185380 77292343 2 NO2C16H19 AB2C16D19 -137.38 4.05 -8.85 -0.03 0
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185381 77292491 1 N2O3C30H42 A2B3C30D42 -117.68 2.45 -9.16 0.31 1
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185382 77292492 1 PN2O5C6H6 AB2C5D6E6 -147.79 8.86 0.0 0.0 0
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185383 77292493 1 O2N4F5C22H25 A2B4C5D22E25 -272.27 9.94 -9.77 -1.01 0
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185384 77292494 1 FeNO2C23H33 ABC2D23E33 93.53 4.55 -7.81 -0.55 0
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185385 77292646 1 ClFPN3O9C23H31 ABCD3E9F23G31 -451.3 8.81 0.0 0.0 0
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185386 77292647 1 FPN3O9C24H28 ABC3D9E24F28 -399.56 5.25 0.0 0.0 0
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185387 77293550 1 ClSN2O2H15C20 ABC2D2E15F20 28.69 6.01 -9.38 -2.58 0
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185388 77293864 1 SN3O4H21C23 AB3C4D21E23 7.35 7.02 -9.03 -1.74 0
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185389 77294087 1 NSF2O3H7C17 ABC2D3E7F17 -90.75 4.26 -8.96 -2.6 0
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185390 77294201 1 FSN2O4H25C26 ABC2D4E25F26 -122.85 7.73 -8.91 -1.99 0
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185391 77294454 1 BrSN2O2H19C21 ABC2D2E19F21 141.69 4.27 -8.34 -1.26 0
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185392 77294969 1 ClO4N8C25H33 AB4C8D25E33 -120.45 4.69 -8.73 -0.96 0
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185393 77295218 1 SO3N5C22H27 AB3C5D22E27 -52.01 6.37 -8.54 -0.48 0
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185394 77295219 1 F3N4O6H25C28 A3B4C6D25E28 -311.01 4.65 -8.47 -0.98 0
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185395 77295220 2 N2O2H12C13 A2B2C12D13 -75.61 8.43 -8.51 -1.03 0
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185396 77295409 1 ClSO3N5C24H30 ABC3D5E24F30 -101.11 5.46 -8.94 -0.58 0
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185397 77296039 1 SN2O4C27H28 AB2C4D27E28 -55.05 6.37 -8.93 -2.03 0
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185398 77296056 1 SO6C24H26 AB6C24D26 -190.43 4.05 -8.71 -0.21 0