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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
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40703 8144553 1 SO3N4C18H22 AB3C4D18E22 -15.05 3.71 -8.42 -0.24 0
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40704 8144554 1 N3O4C16H21 A3B4C16D21 -106.31 6.62 -9.08 -0.4 0
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40705 8144556 1 FOSN4C14H17 ABCD4E14F17 -9.59 3.07 -8.41 -0.83 1
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40706 8144557 1 SO2N3C22H26 AB2C3D22E26 -1.31 7.45 0.0 0.0 0
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40707 8144558 1 SO2N3C22H25 AB2C3D22E25 -16.35 1.61 -8.56 -0.79 0
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40708 8144559 1 ClN4O4H17C18 AB4C4D17E18 -26.94 10.22 -9.66 -1.6 0
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40709 8144563 1 SO3N4C16H22 AB3C4D16E22 -39.9 3.93 -8.37 -0.22 0
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40710 8144565 1 ClOSN4C20H21 ABCD4E20F21 56.23 2.67 -8.42 -1.07 1
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40711 8144566 1 SO2N3C24H24 AB2C3D24E24 44.08 7.96 0.0 0.0 0
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40712 8144567 1 SO2N3H23C24 AB2C3D23E24 28.35 4.96 -8.69 -0.91 0
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40713 8144568 2 NOC12H13 ABC12D13 -5.78 6.12 -8.56 -0.64 1
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40714 8144569 1 OSN4C17H23 ABC4D17E23 67.48 5.85 0.0 0.0 0
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40715 8144570 1 OSN4C17H22 ABC4D17E22 48.38 4.3 -8.35 -0.26 1
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40716 8144576 1 SO2N5C21H22 AB2C5D21E22 56.9 9.11 0.0 0.0 0
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40717 8144579 1 OSN4C21H30 ABC4D21E30 0.58 5.29 -8.22 -0.37 1
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40718 8144580 1 ClO2N3C20H21 AB2C3D20E21 14.28 7.66 0.0 0.0 1
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40719 8144582 1 OSN4C21H31 ABC4D21E31 23.91 6.06 0.0 0.0 0
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40720 8144583 1 OSN4C21H30 ABC4D21E30 7.34 5.35 -8.2 -0.43 1
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40721 8144585 1 OSN4C21H31 ABC4D21E31 22.84 6.42 0.0 0.0 0
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40722 8144586 1 OSN4C21H30 ABC4D21E30 3.76 5.5 -8.24 -0.4 0
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40723 8144588 1 OSN4C21H30 ABC4D21E30 7.7 5.51 -8.22 -0.46 0
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40724 8144591 1 ClO4N5H14C16 AB4C5D14E16 -8.67 11.52 -9.72 -1.73 1
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40725 8144592 1 BrOSN4C13H16 ABCD4E13F16 50.95 10.73 0.0 0.0 0
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40726 8144593 1 BrOSN4C13H15 ABCD4E13F15 51.18 7.07 -8.33 -1.42 1
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40727 8144594 1 OSN3C16H22 ABC3D16E22 20.82 4.09 0.0 0.0 0
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40728 8144595 1 OSN3C16H21 ABC3D16E21 2.11 4.93 -8.04 -0.12 0
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40729 8144597 1 BrO2N3C19H20 AB2C3D19E20 3.07 3.33 -9.14 -0.49 0
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40730 8144599 1 N3O4C22H25 A3B4C22D25 -68.38 6.25 -8.55 -0.5 1
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40731 8144600 1 OS2N4C15H21 AB2C4D15E21 16.21 3.65 0.0 0.0 1
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40732 8144603 1 SO2N5C22H24 AB2C5D22E24 39.53 3.72 0.0 0.0 0
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40733 8144604 1 SO2N5C22H23 AB2C5D22E23 24.85 0.58 -8.59 -1.17 0
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40734 8144608 1 N3O3C18H25 A3B3C18D25 -112.18 3.26 -8.97 -0.06 0
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40735 8144613 1 OSN4C20H22 ABC4D20E22 56.72 4.64 -8.28 -0.58 1
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40736 8144616 1 O2N3C21H24 A2B3C21D24 20.81 9.81 0.0 0.0 0
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40737 8144617 1 O2N3C21H23 A2B3C21D23 3.25 7.2 -8.88 -0.55 0
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40738 8144619 1 SO2N4C15H20 AB2C4D15E20 -1.5 3.43 -8.42 -0.54 1
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40739 8144620 1 SO2N4C17H23 AB2C4D17E23 34.19 7.21 0.0 0.0 0
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40740 8144621 1 SO2N4C17H22 AB2C4D17E22 12.32 6.21 -8.14 -0.57 0
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40741 8144622 1 ClO2N3H20C23 AB2C3D20E23 10.4 3.36 -9.29 -0.66 0
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40742 8144626 1 ClSO2N4C20H21 ABC2D4E20F21 17.65 6.15 -8.35 -0.67 0
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40743 8144628 1 SO2N4C15H20 AB2C4D15E20 -3.62 6.35 -8.24 -0.46 1
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40744 8144629 1 SO2N3C24H24 AB2C3D24E24 42.07 9.21 0.0 0.0 0
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40745 8144630 1 SO2N3H23C24 AB2C3D23E24 23.97 5.02 -8.81 -1.04 1
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40746 8144634 1 SN3O4C21H24 AB3C4D21E24 -83.68 12.93 0.0 0.0 0
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40747 8144635 1 SN3O4C21H23 AB3C4D21E23 -96.35 6.06 -8.82 -1.2 1
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40748 8144636 1 OSN4C18H27 ABC4D18E27 29.19 6.55 0.0 0.0 0
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40749 8144638 1 OS2N3C21H23 AB2C3D21E23 31.08 7.76 -8.13 -1.37 1
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40750 8144639 1 OSN4C15H21 ABC4D15E21 44.44 5.69 0.0 0.0 1
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40751 8144641 1 ClSO2N4C20H22 ABC2D4E20F22 39.84 3.83 0.0 0.0 0
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40752 8144644 1 SN3O3H21C22 AB3C3D21E22 -0.34 5.28 -8.57 -0.95 0