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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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42554 8149698 1 ClOS2N3H17C19 ABC2D3E17F19 50.85 8.11 0.0 0.0 0
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42555 8149699 1 ClOS2N3H16C19 ABC2D3E16F19 38.12 5.19 -8.67 -1.03 1
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42556 8149700 1 O2N3C19H22 A2B3C19D22 -0.56 6.73 0.0 0.0 0
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42557 8149701 1 O2N3C19H21 A2B3C19D21 -16.57 3.81 -9.09 -0.6 1
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42558 8149702 1 ClOS2N3H17C19 ABC2D3E17F19 53.0 8.16 0.0 0.0 0
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42559 8149703 1 ClOS2N3H16C19 ABC2D3E16F19 40.04 3.28 -8.73 -1.15 0
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42560 8149705 1 O2N3C19H21 A2B3C19D21 -17.84 3.12 -8.94 -0.53 1
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42561 8149706 1 OSN3C16H22 ABC3D16E22 1.35 6.43 0.0 0.0 0
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42562 8149707 1 OSN3C16H21 ABC3D16E21 -15.45 2.34 -8.62 -0.87 1
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42563 8149708 1 OSN3C16H22 ABC3D16E22 2.07 6.0 0.0 0.0 0
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42564 8149709 1 OSN3C16H21 ABC3D16E21 -14.29 2.34 -8.61 -0.88 1
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42565 8149710 1 OSN3C16H22 ABC3D16E22 4.13 4.17 0.0 0.0 0
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42566 8149711 1 OSN3C16H21 ABC3D16E21 -17.1 2.74 -8.55 -0.78 0
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42567 8149713 1 O2N3C19H21 A2B3C19D21 -16.8 1.53 -8.81 -0.52 0
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42568 8149715 1 OSN3C16H21 ABC3D16E21 -12.55 0.3 -8.69 -0.98 1
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42569 8149716 1 OS2N3C15H16 AB2C3D15E16 60.58 5.38 0.0 0.0 0
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42570 8149717 1 OS2N3C15H15 AB2C3D15E15 39.43 4.39 -8.61 -0.98 0
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42571 8149718 1 SN2O2C20H28 AB2C2D20E28 -108.52 2.71 -8.76 -0.04 1
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42572 8149719 1 OS2N3C15H16 AB2C3D15E16 60.68 5.35 0.0 0.0 0
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42573 8149721 1 SN3O3C18H19 AB3C3D18E19 -54.13 0.87 -8.15 -1.06 0
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42574 8149723 1 SN3O3C21H25 AB3C3D21E25 -82.95 1.43 -8.39 -0.94 0
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42575 8149725 1 SN2O2C20H28 AB2C2D20E28 -102.91 4.37 -8.58 -0.1 0
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42576 8149728 1 SN3O3C21H25 AB3C3D21E25 -82.0 3.65 -8.23 -0.93 0
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42577 8149729 1 SN3O5C20H23 AB3C5D20E23 -163.31 4.38 -8.2 -1.32 0
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42578 8149730 1 SN3O5C20H23 AB3C5D20E23 -164.29 5.29 -8.41 -1.29 0
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42579 8149731 1 S2N3O3H19C20 A2B3C3D19E20 -26.88 3.63 -8.23 -1.05 0
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42580 8149733 1 SN3O3C21H27 AB3C3D21E27 -86.29 1.29 -8.45 -1.11 2
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42581 8149735 1 SO2N4C16H26 AB2C4D16E26 1.44 19.14 -5.29 -0.98 0
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42582 8149736 1 SO2N4C16H24 AB2C4D16E24 -60.63 6.26 -9.13 -0.45 0
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42583 8149737 1 SN3O3C23H23 AB3C3D23E23 -43.99 3.34 -8.31 -0.76 2
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42584 8149738 1 SO2N4C16H26 AB2C4D16E26 2.44 17.93 -5.31 -0.79 0
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42585 8149739 1 SO2N4C16H24 AB2C4D16E24 -60.69 7.16 -9.1 -0.42 1
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42586 8149740 1 OSN3C17H26 ABC3D17E26 -36.23 10.7 0.0 0.0 1
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42587 8149742 1 OSN3C17H26 ABC3D17E26 -35.47 6.77 0.0 0.0 0
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42588 8149743 1 OSN3C17H25 ABC3D17E25 -48.59 2.76 -8.57 -0.82 1
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42589 8149744 1 N4C14H19 A4B14C19 86.99 3.27 0.0 0.0 0
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42590 8149745 2 N2C7H9 A2B7C9 67.21 2.1 -8.89 -0.12 1
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42591 8149746 1 OSN3C17H26 ABC3D17E26 -36.62 6.76 0.0 0.0 0
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42592 8149747 1 OSN3C17H25 ABC3D17E25 -51.66 2.84 -8.52 -0.74 1
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42593 8149748 1 OSN3C17H26 ABC3D17E26 -35.37 6.83 0.0 0.0 0
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42594 8149749 1 OSN3C17H25 ABC3D17E25 -48.69 3.02 -8.58 -0.82 1
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42595 8149750 1 SO2N3C21H26 AB2C3D21E26 -34.72 8.34 0.0 0.0 0
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42596 8149751 1 SO2N3C21H25 AB2C3D21E25 -47.85 1.89 -8.59 -0.84 1
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42597 8149752 1 N4C14H19 A4B14C19 74.72 2.82 0.0 0.0 0
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42598 8149753 2 N2C7H9 A2B7C9 69.39 2.64 -8.72 0.12 1
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42599 8149754 1 SO2N3C21H26 AB2C3D21E26 -40.06 3.01 0.0 0.0 0
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42600 8149755 1 SO2N3C21H25 AB2C3D21E25 -46.64 1.89 -8.58 -0.84 0
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42601 8149757 1 SO2N3C21H25 AB2C3D21E25 -47.83 1.76 -8.67 -0.96 1
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42602 8149758 1 SO2N3C21H26 AB2C3D21E26 -31.28 8.67 0.0 0.0 0
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42603 8149759 1 SO2N3C21H25 AB2C3D21E25 -48.43 1.6 -8.52 -0.74 0
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42604 8149761 1 O2S2N3H19C20 A2B2C3D19E20 7.19 5.38 -8.63 -0.98 1
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42605 8149762 1 O2S2N3C20H20 A2B2C3D20E20 21.51 10.85 0.0 0.0 0
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42606 8149764 1 ClFOSN3H13C16 ABCDE3F13G16 -33.57 3.24 -8.82 -1.25 0
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42607 8149765 1 ClFSN3O3H17C18 ABCD3E3F17G18 -140.9 0.85 -9.13 -1.7 0
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42608 8149766 1 ClFSN3O3H17C18 ABCD3E3F17G18 -143.3 4.28 -9.18 -1.5 0
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42609 8149767 1 NF2O3H15C23 AB2C3D15E23 -106.08 6.19 -9.43 -1.47 0
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42610 8149768 1 ClFOS2N3H13C18 ABCD2E3F13G18 -6.33 3.57 -8.76 -1.2 0
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42611 8149771 1 ClNSO5C15H20 ABCD5E15F20 -214.88 4.45 -10.21 -1.25 0
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42612 8149773 1 SO2N4C23H28 AB2C4D23E28 -44.89 4.33 -8.53 -0.75 1
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42613 8149774 1 SO2N4C23H29 AB2C4D23E29 -27.53 7.27 0.0 0.0 0
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42614 8149775 1 SO2N4C23H28 AB2C4D23E28 -43.61 4.38 -8.52 -0.75 0
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42615 8149776 1 ClNSO5C15H20 ABCD5E15F20 -211.03 5.28 -10.14 -1.27 1
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42616 8149777 1 SO2N4C23H29 AB2C4D23E29 -28.95 6.62 0.0 0.0 0
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42617 8149778 1 SO2N4C23H28 AB2C4D23E28 -44.88 4.41 -8.52 -0.74 1
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42618 8149779 1 SO2N4C23H29 AB2C4D23E29 -27.74 6.79 0.0 0.0 0
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42619 8149780 1 SO2N4C23H28 AB2C4D23E28 -43.74 4.33 -8.52 -0.75 1
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42620 8149781 1 SO2N4C23H31 AB2C4D23E31 -35.51 7.03 0.0 0.0 0
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42621 8149782 1 SO2N4C23H30 AB2C4D23E30 -52.2 4.53 -8.59 -0.75 1
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42622 8149783 1 SO2N4C23H31 AB2C4D23E31 -36.1 7.18 0.0 0.0 0
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42623 8149785 1 OSN3C18H19 ABC3D18E19 -0.79 2.68 -8.52 -0.86 0
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42624 8149786 1 NO3C21H23 AB3C21D23 -82.1 2.56 -8.67 -0.7 0
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42625 8149787 1 SN3O4C20H23 AB3C4D20E23 -136.64 4.95 -8.97 -1.39 0
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42626 8149788 1 NO3C21H23 AB3C21D23 -78.95 3.2 -8.77 -0.84 0
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42627 8149789 1 OSN3C21H25 ABC3D21E25 -29.85 2.42 -8.56 -0.8 0
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42628 8149790 1 OSN3C21H25 ABC3D21E25 -29.31 2.54 -8.61 -0.87 0
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42629 8149791 1 OSN3C21H25 ABC3D21E25 -27.84 2.31 -8.66 -0.94 0
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42630 8149792 1 OSN3C21H25 ABC3D21E25 -28.22 2.52 -8.61 -0.87 0
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42631 8149793 1 SN3O3C20H23 AB3C3D20E23 -108.26 4.18 -8.89 -1.37 0
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42632 8149794 1 SN3O3C20H23 AB3C3D20E23 -110.22 5.84 -8.91 -1.27 0
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42633 8149795 1 OS2N3H19C20 AB2C3D19E20 27.46 4.04 -8.67 -1.08 0
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42634 8149796 1 OS2N3H19C20 AB2C3D19E20 27.33 4.05 -8.64 -1.02 0
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42635 8149797 1 OSN3C23H23 ABC3D23E23 10.48 1.79 -8.74 -0.9 1
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42636 8149798 1 ON3C17H24 AB3C17D24 -12.92 6.58 0.0 0.0 1
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42637 8149799 1 SO2N4C19H27 AB2C4D19E27 -71.36 10.24 0.0 0.0 0
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42638 8149800 1 SO2N4C19H26 AB2C4D19E26 -87.69 5.28 -8.6 -0.83 1
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42639 8149801 1 SO2N4C19H27 AB2C4D19E27 -70.17 9.98 0.0 0.0 0
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42640 8149802 1 SO2N4C19H26 AB2C4D19E26 -86.74 5.21 -8.56 -0.79 0
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42641 8149804 1 SO2N4C19H26 AB2C4D19E26 -87.81 5.85 -8.55 -0.77 1
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42642 8149805 1 SO2N4C19H27 AB2C4D19E27 -70.17 9.82 0.0 0.0 0
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42643 8149808 1 ClSO2N4C19H19 ABC2D4E19F19 -36.72 6.47 -8.73 -0.91 1
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42644 8149809 1 SO2N4C19H29 AB2C4D19E29 -78.91 9.87 0.0 0.0 1
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42645 8149811 1 SO2N4C19H29 AB2C4D19E29 -78.41 9.8 0.0 0.0 0
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42646 8149812 1 SO2N4C19H28 AB2C4D19E28 -94.71 5.81 -8.62 -0.78 1
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42647 8149813 1 SO2N4C21H25 AB2C4D21E25 -34.24 9.63 0.0 0.0 0
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42648 8149814 1 SO2N4C21H24 AB2C4D21E24 -50.54 5.01 -8.55 -0.82 0
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42649 8149815 1 SN3O4C20H23 AB3C4D20E23 -128.01 5.03 -8.86 -1.54 0
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42650 8149816 1 OSN3C21H25 ABC3D21E25 -21.74 2.32 -8.57 -0.82 0
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42651 8149817 1 OSN3C21H25 ABC3D21E25 -21.33 2.93 -8.55 -0.8 0
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42652 8149818 1 OSN3C21H25 ABC3D21E25 -19.85 2.5 -8.56 -0.81 0
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42653 8149819 1 OSN3C21H25 ABC3D21E25 -20.0 2.78 -8.58 -0.84 0