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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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396577 135028794 1 BrNO2H18C20 ABC2D18E20 -25.63 3.92 -8.64 -0.74 0
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396578 135028795 1 OSN4C30H36 ABC4D30E36 35.14 4.78 -8.27 -0.59 0
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396579 135028796 1 N2F3O4C25H25 A2B3C4D25E25 -285.59 5.64 -8.66 -0.64 0
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396580 135028797 1 N2O5C26H30 A2B5C26D30 -156.96 2.42 -8.33 -0.43 0
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396581 135028798 1 NO2C11H17 AB2C11D17 -65.51 1.36 -9.17 0.79 0
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396582 135028799 1 NO3C17H23 AB3C17D23 -138.56 3.07 -9.06 -0.69 0
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396583 135028800 1 O5H14C16 A5B14C16 -131.51 2.1 -9.81 -0.98 0
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396584 135028801 1 NO3H19C24 AB3C19D24 -9.43 6.34 -8.79 -0.78 0
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396585 135028802 1 NO2H13C17 AB2C13D17 -2.4 4.2 -8.76 -0.88 0
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396586 135028803 1 ON4C12H16 AB4C12D16 10.43 3.88 -9.02 -0.38 0
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396587 135028804 1 O3H16C19 A3B16C19 -9.4 2.91 -9.52 -0.96 0
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396588 135028806 1 NO4H13C20 AB4C13D20 -36.09 7.2 -9.74 -1.65 0
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396589 135028807 1 FON2H9C15 ABC2D9E15 -16.63 1.38 -9.19 -1.24 0
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396590 135028808 1 FON2H11C16 ABC2D11E16 -27.74 1.72 -9.16 -1.18 0
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396591 135028809 1 OF2N2H10C15 AB2C2D10E15 -72.64 6.91 -9.61 -1.06 0
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396592 135028810 1 BrNO4H8C15 ABC4D8E15 4.36 7.24 -9.79 -1.78 0
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396593 135028812 1 N2O6C21H28 A2B6C21D28 -246.72 2.96 -9.66 -0.07 0
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396594 135028813 1 NOC19H19 ABC19D19 15.24 6.59 -8.64 -0.38 0
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396595 135028814 1 SeC14H14 AB14C14 31.33 1.76 -8.4 -0.08 1
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396596 135028815 1 AgNH19C21 ABC19D21 14.26 19.93 0.0 0.0 0
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396597 135028816 1 NH19C21 AB19C21 87.7 1.93 -8.91 -0.56 0
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396598 135028818 1 NF3O3C15H16 AB3C3D15E16 -259.29 4.86 -9.15 -0.31 0
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396599 135028819 1 SO6C24H28 AB6C24D28 -208.99 0.59 -8.93 -0.02 0
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396600 135028820 2 NOC5H6 ABC5D6 -31.14 2.24 -10.08 -0.73 0
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396601 135028821 1 NO2C23H31 AB2C23D31 -55.82 3.23 -8.18 0.1 0
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396602 135028826 1 SN2O3H18C19 AB2C3D18E19 -58.1 8.44 -8.79 -0.67 0
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396603 135028827 1 SN2O4H22C24 AB2C4D22E24 -94.6 6.63 -8.28 -0.85 0
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396604 135028829 1 NO3C18H21 AB3C18D21 -117.98 4.22 -9.68 -0.56 0
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396607 135028837 1 ON3C10H13 AB3C10D13 69.37 3.17 -9.45 -0.27 1
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396608 135028840 1 SN2O7C25H31 AB2C7D25E31 -146.83 7.2 0.0 0.0 0
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396609 135028841 1 SN2O7C25H32 AB2C7D25E32 -188.13 7.49 -9.72 -1.9 0
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396610 135028846 1 O3C17H26 A3B17C26 -155.83 2.61 -9.58 0.37 0
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396611 135028847 1 NO3C20H25 AB3C20D25 -109.76 1.56 -8.0 0.16 1
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396612 135028850 1 N5O5C9H18 A5B5C9D18 -196.88 6.92 0.0 0.0 0
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396613 135028851 1 N5O5C9H17 A5B5C9D17 -212.0 2.09 -9.25 0.01 0
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396614 135028855 1 ClNO2H12C17 ABC2D12E17 -3.86 6.92 -9.0 -0.95 0
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396615 135028856 1 FNO3H14C18 ABC3D14E18 -82.18 7.64 -8.5 -0.9 0
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396616 135028862 1 SO2H14C20 AB2C14D20 7.08 3.89 -8.97 -1.19 0
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396617 135028873 1 N2O5C20H28 A2B5C20D28 -210.11 2.75 -9.68 -0.07 0
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396618 135028886 1 NOC28H29 ABC28D29 15.46 1.65 -8.31 0.05 0
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396619 135028887 1 N2O5C31H36 A2B5C31D36 -122.72 4.94 -8.18 -0.12 0
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396620 135028891 1 N2O3C21H26 A2B3C21D26 -33.57 3.55 -8.58 -0.76 0
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396622 135028900 1 NO5C19H19 AB5C19D19 -70.48 6.76 -9.93 -1.53 0
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396623 135028902 1 ClNO5C19H20 ABC5D19E20 -123.09 7.17 -10.01 -1.56 0
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396624 135028904 2 OPN2H12C14 ABC2D12E14 3.68 8.5 -8.65 -0.46 0
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396625 135028909 1 BrH13C24 AB13C24 164.03 1.5 -8.07 -2.41 0
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396626 135028912 1 O5H34C40 A5B34C40 -48.91 6.96 -8.55 -0.59 0
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396627 135028924 1 NSO3H13C16 ABC3D13E16 -27.55 6.83 -8.44 -0.85 1
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396628 135028940 1 NOSiC20H26 ABCD20E26 -36.88 1.53 0.0 0.0 0
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396629 135028942 1 SN2O3C29H32 AB2C3D29E32 -2.95 5.4 -8.88 -0.22 0
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396631 135028950 1 INOF3H5C7 ABCD3E5F7 -103.29 4.95 -9.97 -1.6 0
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396632 135028954 1 O5H28C47 A5B28C47 -7.75 8.88 -7.75 -1.34 0
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396633 135028963 1 ClNC8H12 ABC8D12 -0.11 2.73 -9.4 0.44 0
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396634 135028964 1 FSN2O2H23C27 ABC2D2E23F27 2.85 3.29 -8.23 -0.59 0
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396635 135028965 2 OC8H8 AB8C8 -40.65 1.89 -8.9 -0.06 0
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396636 135028967 1 ON5C12H13 AB5C12D13 60.84 4.41 -8.74 -0.37 0
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396637 135028969 1 OSiC27H34 ABC27D34 -53.21 2.47 -8.88 0.16 0
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396638 135028971 1 O11C20H24 A11B20C24 -455.56 4.82 -10.45 -1.12 0
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396639 135028973 1 O13C22H28 A13B22C28 -531.91 8.87 -9.85 -0.9 0
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396640 135028974 2 O6C11H14 A6B11C14 -510.34 1.57 -9.14 0.12 0
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396641 135028975 1 O9C37H40 A9B37C40 -287.02 5.12 -9.18 0.02 0
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396642 135028976 1 O11C35H40 A11B35C40 -384.73 9.18 -9.02 -0.94 0
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396643 135028977 1 OSC14H22 ABC14D22 -41.92 5.55 -8.27 0.84 0
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396644 135028978 1 SN2O3C30H34 AB2C3D30E34 -12.59 4.1 -8.79 -0.35 0
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396645 135028980 1 OSH16C20 ABC16D20 66.0 4.2 -8.5 -0.2 0
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396646 135028981 1 SO2C13H14 AB2C13D14 -52.44 1.95 -9.25 -0.96 0
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396647 135028982 1 NO3C11H15 AB3C11D15 -105.44 2.01 -9.14 -0.29 0
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396648 135028983 1 FO7C22H25 AB7C22D25 -289.95 4.86 -8.7 -0.74 0
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396649 135028984 1 ON2C24H28 AB2C24D28 35.29 5.14 -8.55 -0.41 0
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396650 135028985 2 BrH13C24 AB13C24 275.18 5.43 -7.97 -2.39 0
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396651 135028986 1 NSiO4C15H27 ABC4D15E27 -184.76 3.06 -9.24 0.57 0
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396652 135028987 1 SO2N4C19H24 AB2C4D19E24 34.12 7.52 -9.0 -0.61 0
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396653 135028988 1 SO2H12C18 AB2C12D18 12.49 2.96 -8.83 -1.33 0
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396654 135028989 1 INOSF3H3C8 ABCDE3F3G8 -86.4 5.31 -9.64 -1.68 1
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396655 135028991 1 N2C8H19 A2B8C19 27.21 1.36 0.0 0.0 0
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396656 135028992 2 NC4H9 AB4C9 5.11 2.9 -7.99 1.52 0
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396657 135028993 1 N2C29H30 A2B29C30 80.27 3.21 -8.03 0.18 0
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396658 135028994 1 N2C31H34 A2B31C34 69.77 3.95 -8.0 0.25 0
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396659 135028995 1 N2O3C28H28 A2B3C28D28 -13.27 3.96 -7.6 0.07 0
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396660 135028996 1 N2O3C30H32 A2B3C30D32 -28.0 4.45 -7.67 0.09 0
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396661 135028997 1 BrCuHC2F2O2 ABCD2E2F2 -143.0 3.49 0.0 0.0 0
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396662 135028998 2 O2H6C9 A2B6C9 -34.02 4.2 -9.97 -1.46 0
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396663 135028999 1 NO4H9C16 AB4C9D16 47.04 6.81 -10.11 -2.03 0
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396664 135029000 1 N3O4C16H19 A3B4C16D19 -121.2 3.66 -9.25 -0.32 0
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396665 135029002 2 OH6C10 AB6C10 65.55 4.69 -9.27 -1.15 0
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396666 135029004 1 NO3H19C23 AB3C19D23 -18.61 4.6 -8.21 -0.08 0
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396667 135029005 2 O2C5H9 A2B5C9 -186.86 4.06 -9.49 0.51 0
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396668 135029006 1 IH15C16 AB15C16 68.75 1.55 -9.05 -0.87 0
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396669 135029007 1 FOSH9C15 ABCD9E15 -16.49 2.38 -8.99 -1.16 0
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396670 135029008 1 NO4C15H17 AB4C15D17 -115.13 3.73 -9.77 -0.22 0
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396671 135029014 1 O7C26H26 A7B26C26 -214.59 2.42 -8.77 -0.44 0
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396672 135029015 1 O7C26H26 A7B26C26 -213.37 2.53 -8.73 -0.44 0
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396673 135029016 1 FNOH12C19 ABCD12E19 19.83 1.96 -8.99 -1.12 0
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396674 135029018 1 O2H22C25 A2B22C25 -15.94 4.9 -9.12 -0.69 0
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396675 135029020 2 FOC6H6 ABC6D6 -161.53 3.11 -10.32 -0.72 0
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396676 135029022 1 NO4C23H25 AB4C23D25 -141.17 2.82 -8.87 -0.56 0
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396677 135029023 1 N2O3H18C24 A2B3C18D24 -25.48 3.11 -9.32 -1.63 0
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396678 135029024 1 N2O3H16C23 A2B3C16D23 7.01 4.86 -9.14 -1.38 0
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396679 135029025 1 N2O3H20C25 A2B3C20D25 -35.06 3.88 -9.02 -1.47 0
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396680 135029026 1 N4C9H10 A4B9C10 130.3 5.59 -10.19 0.03 0