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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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20945 586337 1 SO2C14H14 AB2C14D14 -49.22 5.75 -9.17 -0.77 0
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20946 586338 1 O5C17H22 A5B17C22 -202.88 5.27 -9.2 -0.33 0
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20947 586340 1 OC15H24 AB15C24 -38.08 1.91 -9.26 0.83 0
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20948 586341 1 NO4C14H19 AB4C14D19 -92.77 6.53 -9.14 -0.26 0
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20949 586342 1 NO4C13H17 AB4C13D17 -89.33 5.98 -9.06 -0.38 0
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20950 586343 1 N3O4C20H23 A3B4C20D23 -132.64 2.86 -8.88 -0.85 0
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20951 586344 1 O6C13H14 A6B13C14 -226.69 5.27 -9.22 -0.25 0
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20952 586345 2 O2C7H10 A2B7C10 -182.58 3.55 -8.85 0.21 0
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20953 586346 1 OSiC19H32 ABC19D32 -99.13 2.31 -9.09 0.42 0
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20954 586348 2 NOC8H10 ABC8D10 -61.74 3.55 -9.43 -0.25 0
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20955 586361 1 OSN4C17H18 ABC4D17E18 68.56 6.1 -8.37 -0.68 0
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20956 586375 1 BrSiC6H15 ABC6D15 -76.67 2.48 -9.21 0.2 0
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20957 586380 2 ClHNC3 ABCD3 80.42 4.13 -10.29 -2.09 0
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20958 586386 1 ClN3O4H10C14 AB3C4D10E14 8.79 5.79 -9.88 -1.89 0
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20959 586394 1 O3C16H16 A3B16C16 -93.86 5.29 -9.31 -0.49 0
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20960 586400 1 SC9H12 AB9C12 4.6 2.16 -8.63 0.1 0
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20961 586413 2 NOSC6H8 ABCD6E8 -53.69 4.32 -8.56 -0.52 0
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20962 586434 1 ON4C8H12 AB4C8D12 -29.22 3.4 -9.18 -0.23 0
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20963 586437 1 OC12H20 AB12C20 -56.74 0.32 -8.72 0.9 0
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20964 586438 1 O3C10H12 A3B10C12 -90.04 3.73 -8.57 -0.69 0
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20965 586452 2 NO2C9H9 AB2C9D9 -144.48 2.2 -9.28 -1.06 0
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20966 586459 2 O2C5H6 A2B5C6 -144.82 2.83 -8.89 -0.28 0
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20967 586480 1 ON3C12H21 AB3C12D21 -44.81 3.54 -8.48 -0.14 0
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20968 586481 1 NO3C12H17 AB3C12D17 -104.53 1.68 -8.24 0.01 0
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20969 586494 2 BrSO2H5C8 ABC2D5E8 -15.43 5.31 -8.18 -1.05 0
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20970 586498 1 NSO2H13C14 ABC2D13E14 -13.04 4.6 -8.43 -1.02 0
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20971 586504 1 N3O3H13C14 A3B3C13D14 33.21 5.35 -8.6 -1.29 0
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20972 586505 1 OSiC20H32 ABC20D32 -105.31 2.13 -8.94 0.42 0
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20973 586514 1 N2O3H14C17 A2B3C14D17 -52.39 4.06 -9.24 -0.74 0
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20974 586519 1 O2C21H36 A2B21C36 -146.11 0.9 -9.42 0.86 0
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20975 586520 1 ClSN3H10C16 ABC3D10E16 122.66 5.63 -8.82 -1.47 0
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20976 586528 1 ClSN2O3H13C16 ABC2D3E13F16 -58.8 4.37 -8.98 -1.03 0
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20977 586561 1 NF3C9H16 AB3C9D16 -170.63 2.96 -8.88 0.24 0
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20978 586566 1 O2C11H16 A2B11C16 -87.71 1.54 -10.04 -0.33 0
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20979 586583 1 ON2C18H28 AB2C18D28 -45.39 4.99 -8.48 -0.06 0
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20980 586584 1 O4N5C13H15 A4B5C13D15 31.45 3.32 -9.14 -1.91 0
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20981 586588 1 N2O5C16H28 A2B5C16D28 -272.23 6.0 -10.02 0.18 0
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20982 586599 1 N2O5C25H34 A2B5C25D34 -170.92 2.91 -8.06 -0.04 0
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20983 586600 1 BOC16H31 ABC16D31 -143.77 1.42 -9.15 1.49 0
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20984 586603 1 ON2C25H28 AB2C25D28 14.95 5.38 -8.74 -0.74 0
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20985 586607 1 NOC11H19 ABC11D19 -68.2 4.17 -9.94 1.01 0
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20986 586621 1 OC9H14 AB9C14 -59.73 2.1 -9.48 2.61 0
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20987 586625 1 NC10H19 AB10C19 -16.08 1.37 -8.03 1.57 0
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20988 586628 1 ClSiO2C21H41 ABC2D21E41 -283.93 3.34 -10.06 0.78 0
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20989 586634 2 O3C8H10 A3B8C10 -236.55 1.27 -10.5 -1.09 0
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20990 586636 1 OSN3C7H11 ABC3D7E11 0.0 3.91 -9.14 -0.43 0
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20991 586638 1 N2O2C15H24 A2B2C15D24 -116.91 2.94 -8.43 0.11 0
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20992 586654 2 C7H13 A7B13 -46.09 0.75 -9.0 1.62 0
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20993 586667 1 BOC13H25 ABC13D25 -131.07 1.37 -9.09 1.58 0
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20994 586669 1 BrSN2C19H27 ABC2D19E27 14.95 5.03 -8.83 -0.6 0
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20995 586672 1 ClSO2C9H11 ABC2D9E11 -79.43 3.87 -9.61 -0.04 0
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20996 586676 1 O3C10H12 A3B10C12 -118.92 2.58 -9.25 -0.12 0
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20997 586677 1 N3O3C8H9 A3B3C8D9 -28.04 9.47 -9.62 -1.21 0
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20998 586682 1 N2O2C9H12 A2B2C9D12 -92.11 3.38 -8.7 -0.28 0
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20999 586692 1 ClN2O2C20H25 AB2C2D20E25 -62.12 6.31 -8.84 -0.95 0
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21000 586694 1 FON4C15H19 ABC4D15E19 -34.17 3.6 -9.07 -0.3 0
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21001 586699 2 O3C10H15 A3B10C15 -221.8 7.55 -9.89 -0.34 0
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21002 586700 1 O3N4C16H20 A3B4C16D20 -71.53 0.89 -9.34 -0.75 0
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21003 586703 1 ON2C11H18 AB2C11D18 -40.58 2.07 -9.74 -0.56 0
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21004 586708 1 O3C16H24 A3B16C24 -149.61 3.15 -9.59 -0.57 0
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21005 586710 1 ON2C7H10 AB2C7D10 -22.51 1.84 -8.65 0.33 0
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21006 586711 1 FO2N4H11C17 AB2C4D11E17 29.36 8.12 -10.04 -1.31 0
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21007 586718 2 O2C5H7 A2B5C7 -113.67 6.19 -9.22 -0.28 0
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21008 586725 1 ClN2O2C20H23 AB2C2D20E23 -43.41 3.37 -8.77 -1.18 0
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21010 586729 1 ON2C11H18 AB2C11D18 -45.16 2.88 -9.74 -0.49 0
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21011 586730 1 N2O5C25H34 A2B5C25D34 -155.32 5.07 -7.77 0.34 0
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21012 586735 3 OC4H6 AB4C6 -137.95 4.24 -8.98 -0.19 0
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21013 586761 1 ON6C19H28 AB6C19D28 40.36 6.51 -8.68 -1.41 0
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21014 586762 2 O2C14H21 A2B14C21 -227.97 1.06 -10.23 -1.09 0
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21015 586768 1 ON3C7H11 AB3C7D11 -23.97 1.36 -9.11 0.16 0
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21016 586769 1 NO5C13H17 AB5C13D17 -194.12 3.88 -8.38 -0.16 0
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21017 586775 1 NO5C12H13 AB5C12D13 -160.92 3.25 -8.43 -1.13 0
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21018 586778 1 FN2O2H5C6 AB2C2D5E6 -77.46 8.21 -9.83 -0.99 0
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21019 586784 1 ClOF3N5H11C16 ABC3D5E11F16 -79.31 1.81 -9.59 -1.22 0
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21020 586789 1 ClNC9H16 ABC9D16 -42.61 2.92 -9.05 0.94 0
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21021 586790 1 NOCl2F2H11C15 ABC2D2E11F15 -107.98 2.72 -9.52 -1.16 0
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21022 586791 1 N2C11H18 A2B11C18 18.88 5.18 -8.31 0.85 0
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21023 586798 1 NO2C13H23 AB2C13D23 -131.32 3.61 -9.39 1.07 0
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21024 586812 1 NOH3C5F6 ABC3D5E6 -335.58 7.05 -10.34 -1.45 0
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21025 586826 1 OH7C8 AB7C8 65.94 1.85 0.0 0.0 -5
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21026 586828 1 NO5C12H15 AB5C12D15 -195.7 7.05 -8.51 -0.52 0
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21027 586836 1 ON3C17H27 AB3C17D27 -34.34 3.56 -8.45 -0.46 0
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21028 586843 1 BrSN3H10C13 ABC3D10E13 107.0 2.58 -8.94 -0.84 0
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21029 586846 1 ClON2C19H21 ABC2D19E21 -4.48 4.49 -9.36 -1.21 0
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21030 586849 1 SiO5C27H42 AB5C27D42 -302.03 2.43 -8.17 0.3 0
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21031 586852 1 N2O3C22H28 A2B3C22D28 -97.52 3.63 -8.42 -0.01 0
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21032 586863 1 NO5C9H9 AB5C9D9 -109.11 7.16 -10.34 -1.47 0
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21033 586865 1 Cl2N4O4H8C13 A2B4C4D8E13 53.76 6.49 -9.75 -2.05 0
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21034 586889 1 ClO2C23H37 AB2C23D37 -147.98 2.24 -9.93 -0.87 0
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21035 586892 1 Cl2O2N5H11C12 A2B2C5D11E12 8.32 8.74 -9.35 -0.79 0
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21036 586895 1 O3C30H50 A3B30C50 -225.46 1.38 -9.47 0.92 0
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21037 586898 1 O6C31H48 A6B31C48 -344.92 4.6 -9.5 0.92 0
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21038 586918 1 N2O3C14H16 A2B3C14D16 -56.6 3.56 -8.78 -0.74 0
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21039 586930 1 NSC11H17 ABC11D17 -10.34 3.93 -8.7 -0.28 0
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21040 586933 1 ON3C6H9 AB3C6D9 -12.05 9.28 -9.43 -0.04 0
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21041 586938 1 O2C9H14 A2B9C14 -58.68 1.0 -10.0 1.16 0
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21042 586959 1 SiC9H18 AB9C18 -18.91 0.48 -9.77 1.11 0
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21043 586961 1 FSi2C12H27 AB2C12D27 -181.19 1.94 -8.16 1.17 0
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21044 586972 1 ClO2N3H12C15 AB2C3D12E15 11.91 3.04 -9.68 -1.15 0
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21045 586990 1 ClO2C13H17 AB2C13D17 -99.35 1.93 -9.97 -0.93 0