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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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40653 8144478 1 N3O3C14H23 A3B3C14D23 -144.66 3.22 -8.98 0.2 1
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40654 8144479 1 SO2N4C18H21 AB2C4D18E21 57.61 8.64 0.0 0.0 0
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40655 8144480 1 SO2N4C18H20 AB2C4D18E20 32.11 4.31 -8.4 -0.76 1
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40656 8144481 1 N3O5C22H26 A3B5C22D26 -122.62 3.35 0.0 0.0 0
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40657 8144482 1 N3O5C22H25 A3B5C22D25 -144.58 4.71 -8.9 -0.15 1
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40658 8144483 1 ClOSN4C18H24 ABCD4E18F24 36.18 6.3 0.0 0.0 1
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40659 8144485 1 ClOSN4C20H22 ABCD4E20F22 68.41 4.31 0.0 0.0 1
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40660 8144487 1 ClOSN4C14H18 ABCD4E14F18 44.45 3.81 0.0 0.0 0
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40661 8144488 1 ClOSN4C14H17 ABCD4E14F17 28.53 3.01 -8.4 -0.96 0
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40662 8144490 1 SO3N4C21H24 AB3C4D21E24 -8.24 4.28 -8.28 -0.63 1
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40663 8144491 1 OSN3C22H22 ABC3D22E22 60.6 4.72 0.0 0.0 0
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40664 8144492 1 OSN3H21C22 ABC3D21E22 49.49 8.78 -8.99 -0.42 1
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40665 8144493 1 SO3N4C21H23 AB3C4D21E23 14.73 5.25 0.0 0.0 0
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40666 8144494 1 SO3N4C21H22 AB3C4D21E22 -3.61 4.65 -8.41 -0.6 1
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40667 8144497 1 OSN3C22H22 ABC3D22E22 49.7 6.09 0.0 0.0 0
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40668 8144498 1 OSN3H21C22 ABC3D21E22 54.91 7.33 -8.89 -0.68 1
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40669 8144499 1 SO2N4C23H27 AB2C4D23E27 54.29 2.65 0.0 0.0 0
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40670 8144500 1 SO2N4C23H26 AB2C4D23E26 36.79 4.6 -8.48 -0.44 0
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40671 8144501 1 O2N7C22H25 A2B7C22D25 44.93 5.36 -8.57 -0.39 1
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40672 8144502 1 SO2N3C20H24 AB2C3D20E24 7.16 3.06 0.0 0.0 0
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40673 8144503 1 SO2N3C20H23 AB2C3D20E23 -8.91 5.14 -8.15 -0.53 0
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40674 8144505 1 OSN3C23H23 ABC3D23E23 41.49 6.74 -9.12 -0.54 1
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40675 8144506 1 SO2N4C17H25 AB2C4D17E25 -0.33 6.31 0.0 0.0 0
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40676 8144511 1 OSN3C23H23 ABC3D23E23 42.88 7.43 -9.05 -0.68 1
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40677 8144514 1 N3O5C18H26 A3B5C18D26 -161.6 4.23 0.0 0.0 1
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40678 8144516 1 ClOSN4C15H20 ABCD4E15F20 37.0 4.11 0.0 0.0 1
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40679 8144518 1 SO3N4C20H21 AB3C4D20E21 21.34 5.39 0.0 0.0 0
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40680 8144519 1 SO3N4C20H20 AB3C4D20E20 3.1 4.39 -8.39 -0.85 0
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40681 8144521 1 OSN3C23H23 ABC3D23E23 38.82 7.59 -9.05 -0.46 1
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40682 8144522 1 SO2N5C21H22 AB2C5D21E22 47.85 4.59 0.0 0.0 0
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40683 8144523 1 SO2N5C21H21 AB2C5D21E21 31.02 1.66 -8.57 -1.17 0
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40684 8144525 1 OSN3C23H23 ABC3D23E23 42.07 7.38 -9.07 -0.56 0
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40685 8144526 1 N3O7H13C20 A3B7C13D20 -24.4 6.88 -9.09 -2.31 1
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40686 8144527 1 SO2N5C22H24 AB2C5D22E24 38.64 4.36 0.0 0.0 1
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40687 8144529 1 OSN5C18H20 ABC5D18E20 95.54 2.85 0.0 0.0 0
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40688 8144530 1 OSN5C18H19 ABC5D18E19 77.7 3.78 -8.45 -1.03 1
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40689 8144531 1 FOSN4C16H20 ABCD4E16F20 28.24 5.57 0.0 0.0 0
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40690 8144533 1 N3O5C22H23 A3B5C22D23 -147.57 5.15 -8.6 -0.16 1
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40691 8144534 3 NOC7H8 ABC7D8 -47.95 2.93 0.0 0.0 1
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40692 8144537 3 NOC7H8 ABC7D8 -48.34 3.19 0.0 0.0 0
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40693 8144540 1 F2N3O4C18H23 A2B3C4D18E23 -258.71 2.71 -9.13 -0.28 0
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40694 8144543 1 F2N3O4C18H23 A2B3C4D18E23 -258.84 5.13 -9.08 -0.24 1
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40695 8144544 1 SO2N3C18H18 AB2C3D18E18 40.83 8.96 0.0 0.0 1
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40696 8144546 1 OSN4C14H19 ABC4D14E19 53.75 5.54 0.0 0.0 0
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40697 8144547 1 OSN4C14H18 ABC4D14E18 34.87 4.54 -8.32 -0.31 1
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40698 8144548 1 OSN4C16H21 ABC4D16E21 73.43 5.23 0.0 0.0 0
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40699 8144549 1 OSN4C16H20 ABC4D16E20 54.97 4.41 -8.36 -0.34 1
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40700 8144550 1 SO3N4C18H23 AB3C4D18E23 0.35 4.0 0.0 0.0 0
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40701 8144551 1 SO3N4C18H22 AB3C4D18E22 -13.77 2.92 -8.46 -0.42 1
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40702 8144552 1 SO3N4C18H23 AB3C4D18E23 5.14 4.5 0.0 0.0 0