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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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218482 85089519 1 N2S2O6C21H32 A2B2C6D21E32 -249.68 7.24 -8.61 -0.39 0
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218483 85089520 2 O2C15H24 A2B15C24 -168.23 6.2 -8.95 0.48 0
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218484 85089521 3 ClNOC7H8 ABCD7E8 -62.96 6.27 -9.46 -1.55 0
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218485 85089522 1 ClF3O4N5C19H23 AB3C4D5E19F23 -255.93 11.17 -7.92 -0.49 0
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218486 85089523 1 ClO2N5C17H22 AB2C5D17E22 -43.84 6.12 -8.16 -0.08 1
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218487 85089524 1 ClO2N5C17H23 AB2C5D17E23 -35.39 5.41 0.0 0.0 0
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218488 85089525 1 Si2O4C25H52 A2B4C25D52 -353.79 1.83 -9.65 0.77 0
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218489 85089526 1 ClN2O9C20H25 AB2C9D20E25 -397.69 2.02 -8.48 -0.28 0
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218490 85089528 1 Cl2N6O6C17H18 A2B6C6D17E18 -198.17 5.99 -9.09 -1.04 0
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218491 85089529 1 BNO8C24H31 ABC8D24E31 -207.34 5.09 0.0 0.0 0
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218492 85089530 1 BrO4C25H29 AB4C25D29 -143.41 5.68 -9.17 -1.06 0
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218493 85089531 1 S2F3N3O5H14C18 A2B3C3D5E14F18 -248.46 7.55 -9.86 -2.0 0
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218494 85089532 1 PS2N5O6C16H20 AB2C5D6E16F20 -244.86 4.34 -8.99 -0.45 0
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218495 85089533 1 N5O5C25H27 A5B5C25D27 -102.81 8.21 -9.46 -0.99 0
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218496 85089535 1 SO4N5H19C24 AB4C5D19E24 108.19 2.24 -8.85 -2.22 0
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218497 85089536 1 NO5C29H31 AB5C29D31 -125.22 5.61 -9.07 -0.89 0
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218498 85089537 1 SN3O5C24H31 AB3C5D24E31 -140.97 4.77 -8.68 -0.83 0
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218499 85089538 1 SO4N5C23H31 AB4C5D23E31 -109.97 6.42 -9.68 -0.36 0
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218500 85089539 1 SiN3O6C23H31 AB3C6D23E31 -270.13 3.55 -9.09 -0.74 0
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218501 85089540 1 NS2O4C25H31 AB2C4D25E31 -145.73 3.4 -8.96 -0.66 0
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218502 85089541 1 ON3C31H43 AB3C31D43 -36.13 5.07 -8.13 0.02 0
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218503 85089542 1 N4O4F6C19H20 A4B4C6D19E20 -454.27 5.67 -10.56 -1.09 0
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218504 85089543 1 SCl2N5O5C17H17 AB2C5D5E17F17 -103.04 5.93 -9.05 -0.77 0
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218505 85089544 1 N2F3O5C24H29 A2B3C5D24E29 -329.41 3.58 -9.25 -0.42 0
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218506 85089545 1 N4O6C25H28 A4B6C25D28 -214.17 8.28 -9.13 -0.79 0