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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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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