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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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41653 8146700 1 N3O3H16C17 A3B3C16D17 12.96 14.78 0.0 0.0 0
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41654 8146706 1 O2N3C19H27 A2B3C19D27 -83.32 1.83 -8.94 0.34 0
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41655 8146708 1 N3O3H15C17 A3B3C15D17 -14.17 8.5 -9.01 -0.94 0
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41656 8146710 1 O2N3C19H27 A2B3C19D27 -80.32 2.43 -8.96 0.23 1
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41657 8146711 1 SO2N3C19H22 AB2C3D19E22 38.18 7.64 0.0 0.0 0
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41658 8146712 1 SO2N3C19H21 AB2C3D19E21 20.09 3.73 -8.57 -0.81 1
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41659 8146713 1 O2N3C21H26 A2B3C21D26 -21.05 1.64 0.0 0.0 0
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41660 8146714 1 O2N3C21H25 A2B3C21D25 -40.83 1.63 -9.09 -0.06 -1
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41661 8146715 1 NSO4H20C23 ABC4D20E23 22.21 3.93 0.0 0.0 1
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41662 8146719 1 O2N3C24H26 A2B3C24D26 2.59 3.24 0.0 0.0 1
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41663 8146721 1 SN3O6C18H20 AB3C6D18E20 -177.57 11.2 0.0 0.0 0
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41664 8146726 1 O2N3C24H25 A2B3C24D25 -18.15 2.75 -9.08 -0.84 0
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41665 8146728 2 N2O2C10H11 A2B2C10D11 -40.08 4.97 -9.28 -1.61 1
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41666 8146733 1 ClO2N3C21H25 AB2C3D21E25 -37.15 3.9 0.0 0.0 0
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41667 8146741 1 N3O3C21H25 A3B3C21D25 -76.78 3.11 -8.99 -0.3 0
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41668 8146742 1 O4H18C21 A4B18C21 -77.66 2.45 -8.72 -0.91 1
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41669 8146747 1 N3O3C25H28 A3B3C25D28 -41.69 4.36 0.0 0.0 0
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41670 8146755 1 BrFSN2O2H14C16 ABCD2E2F14G16 -84.88 2.81 -9.08 -0.7 1
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41671 8146756 1 OSN3C24H32 ABC3D24E32 -16.81 8.02 0.0 0.0 0
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41672 8146757 1 OSN3C24H31 ABC3D24E31 -30.16 3.03 -8.56 -0.8 0
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41673 8146759 1 Cl2O2N3C20H21 A2B2C3D20E21 -54.72 0.47 -9.18 -0.85 0
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41674 8146769 1 O2N3C25H25 A2B3C25D25 -4.36 3.75 -9.13 -0.37 0
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41675 8146771 1 N2O2C21H24 A2B2C21D24 -22.73 6.35 -8.89 -1.03 0
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41676 8146773 1 OSN4C22H28 ABC4D22E28 42.59 5.54 -8.16 -0.36 0
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41677 8146777 1 ClSN4C19H21 ABC4D19E21 87.95 2.56 -8.35 -0.94 0
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41678 8146783 1 ClON3C22H26 ABC3D22E26 -14.38 6.7 -9.38 -0.87 1
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41679 8146784 1 N3O4C23H30 A3B4C23D30 -102.93 5.15 0.0 0.0 0
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41680 8146787 1 SN5C23H23 AB5C23D23 139.96 3.52 -8.35 -0.98 0
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41681 8146792 1 N3O3C24H31 A3B3C24D31 -81.47 9.03 -8.62 -0.42 1
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41682 8146793 1 ON3C23H30 AB3C23D30 5.74 7.81 0.0 0.0 1
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41683 8146798 1 O2N3C26H28 A2B3C26D28 11.36 2.06 0.0 0.0 0
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41684 8146799 1 O2N3C26H27 A2B3C26D27 -6.98 2.24 -8.97 -0.17 0
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41685 8146808 1 ON3C23H29 AB3C23D29 -9.82 6.78 -9.04 -0.65 0
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41686 8146818 1 SN3O3C23H29 AB3C3D23E29 -106.6 5.07 -9.05 -1.34 0
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41687 8146822 1 SN3O3C23H29 AB3C3D23E29 -108.94 7.21 -8.94 -1.21 1
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41688 8146829 1 SO2N3C24H28 AB2C3D24E28 1.95 9.5 0.0 0.0 0
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41689 8146830 1 SO2N3C24H27 AB2C3D24E27 -16.34 5.38 -8.49 -0.98 1
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41690 8146832 1 O2N3C24H28 A2B3C24D28 7.52 7.59 0.0 0.0 0
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41691 8146833 1 O2N3C24H27 A2B3C24D27 -11.07 7.82 -8.99 -0.92 1
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41692 8146834 1 BrSN4C18H20 ABC4D18E20 103.26 3.83 0.0 0.0 1
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41693 8146836 1 O2N3C24H28 A2B3C24D28 8.39 9.07 0.0 0.0 1
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41694 8146838 1 SN4C18H21 AB4C18D21 104.8 4.71 0.0 0.0 0
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41695 8146839 1 SN4C18H20 AB4C18D20 110.53 8.38 -8.25 -1.2 0
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41696 8146841 1 ON4C17H18 AB4C17D18 56.43 1.55 -9.07 -1.06 1
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41697 8146842 1 N3O4H18C20 A3B4C18D20 -24.16 8.14 0.0 0.0 0
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41698 8146845 1 OSN4C20H24 ABC4D20E24 57.82 5.71 -8.15 -0.58 1
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41699 8146851 1 N3O3H22C24 A3B3C22D24 15.52 10.84 0.0 0.0 0
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41700 8146853 1 N2O6C21H26 A2B6C21D26 -253.29 4.89 -9.8 -0.76 1
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41701 8146854 1 OSN4C21H27 ABC4D21E27 65.26 6.31 0.0 0.0 1
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41702 8146886 1 OS2N4C17H21 AB2C4D17E21 74.39 6.61 0.0 0.0 0
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41703 8146889 1 SF2O2N3H9C14 AB2C2D3E9F14 -23.61 5.75 -9.56 -1.65 1
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41704 8146890 1 SN4C19H23 AB4C19D23 112.49 4.73 0.0 0.0 0
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41705 8146891 1 SN4C19H22 AB4C19D22 93.33 4.84 -8.26 -0.4 0
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41706 8146892 1 ClF2N2O4H17C19 AB2C2D4E17F19 -230.92 1.3 -9.25 -0.51 0
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41707 8146893 1 SF2N2O2H10C17 AB2C2D2E10F17 -63.94 6.46 -9.2 -1.26 1
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41708 8146894 1 SN4C20H25 AB4C20D25 102.17 5.35 0.0 0.0 0
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41709 8146895 1 SN4C20H24 AB4C20D24 82.85 4.08 -8.2 -0.16 1
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41710 8146896 1 N2O4C20H21 A2B4C20D21 -75.85 8.23 0.0 0.0 0
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41711 8146897 2 NO2C10H10 AB2C10D10 -79.56 7.42 -8.78 -1.21 1
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41712 8146905 1 OSN4C22H27 ABC4D22E27 51.09 6.47 0.0 0.0 0
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41713 8146907 1 SF2O4H12C15 AB2C4D12E15 -215.67 4.35 -9.17 -0.92 0
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41714 8146909 1 ON3C22H27 AB3C22D27 -3.56 6.04 -8.9 -0.77 1
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41715 8146910 1 SO2N5C21H26 AB2C5D21E26 36.01 10.26 0.0 0.0 0
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41716 8146913 1 SO2N5C21H25 AB2C5D21E25 16.28 3.2 -8.25 -0.89 0
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41717 8146917 1 BrOSN4C15H19 ABCD4E15F19 27.88 4.31 -8.31 -0.88 1
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41718 8146925 1 N2O3C14H17 A2B3C14D17 -73.92 7.54 0.0 0.0 1
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41719 8146932 1 ClON3C22H27 ABC3D22E27 0.68 8.09 0.0 0.0 0
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41720 8146943 1 ON3C23H29 AB3C23D29 -9.25 6.66 -9.01 -0.7 0
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41721 8146946 1 SN2O3C22H26 AB2C3D22E26 -94.69 3.83 -8.41 -0.16 0
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41722 8146956 1 SO2N3C24H27 AB2C3D24E27 -16.3 5.01 -8.53 -1.06 0
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41723 8146966 1 BrSO2N3H14C17 ABC2D3E14F17 36.69 7.86 -8.98 -0.91 0
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41724 8146970 1 FSO3N4H17C19 ABC3D4E17F19 -55.25 4.09 -8.97 -0.84 0
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41725 8146977 1 O2N5C19H21 A2B5C19D21 26.02 9.25 -9.22 -1.22 1
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41726 8146978 1 OS2N4C21H23 AB2C4D21E23 56.94 17.19 0.0 0.0 1
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41727 8146988 1 OSN4C22H23 ABC4D22E23 54.45 13.42 0.0 0.0 0