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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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21949 594132 1 NOC18H25 ABC18D25 -39.59 6.01 -9.84 -0.6 0
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21950 594142 2 NC6H8 AB6C8 15.63 2.42 -8.08 0.29 0
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21951 594168 1 NO12C37H67 AB12C37D67 -600.77 7.34 -8.93 0.45 0
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21952 594247 1 OF3H5C8 AB3C5D8 -153.84 3.43 -10.34 -1.06 0
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21953 594249 1 SCl2N2C8H8 AB2C2D8E8 19.99 2.99 -9.36 -0.48 0
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21954 594269 2 O3C7H9 A3B7C9 -238.87 2.86 -8.47 0.14 0
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21955 594278 1 O2F3H11C12 A2B3C11D12 -209.32 1.44 -10.59 -1.24 0
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21956 594284 1 O2F3C15H19 A2B3C15D19 -230.45 1.05 -10.6 -1.29 0
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21957 594296 1 SiO5C19H34 AB5C19D34 -291.28 5.77 -8.86 -0.23 0
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21958 594317 1 OSiC16H36 ABC16D36 -165.14 1.98 -9.19 1.45 0
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21959 594374 1 O2F3H11C16 A2B3C11D16 -154.97 0.56 -9.44 -1.36 0
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21960 594375 1 NOH9C10 ABC9D10 10.28 4.66 -8.74 -0.8 0
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21961 594376 1 ON3C10H11 AB3C10D11 26.53 2.39 -8.32 -0.66 0
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21962 594377 1 NOH9C10 ABC9D10 9.55 3.58 -8.81 -0.53 0
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21963 594396 1 NOH9C10 ABC9D10 25.94 5.98 -8.9 -0.55 0
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21964 594427 1 FS2N3H10C13 AB2C3D10E13 51.4 3.32 -8.73 -1.0 0
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21965 594446 1 NSiO2C8H17 ABC2D8E17 -138.51 7.26 -8.68 1.12 0
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21966 594452 2 OH4C5 AB4C5 -13.65 4.0 -8.76 -1.18 0
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21967 594454 1 ClNO2S2H10C15 ABC2D2E10F15 14.62 6.28 -9.46 -1.15 0
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21968 594457 1 O4H8C11 A4B8C11 -127.75 8.59 -10.83 -1.85 0
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21969 594458 1 SiC11H14 AB11C14 37.32 0.86 -9.08 -0.02 0
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21970 594461 1 O3C20H30 A3B20C30 -167.19 3.79 -9.35 0.81 0
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21971 594468 1 Cl2S2N4H12C15 A2B2C4D12E15 82.18 3.59 -8.66 -1.41 0
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21972 594476 1 NCl2O2H15C22 AB2C2D15E22 -8.07 9.02 -8.4 -1.25 0
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21973 594478 1 Cl2O2N3H15C20 A2B2C3D15E20 21.58 4.57 -8.99 -0.89 0
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21974 594480 1 SCl2N3H9C13 AB2C3D9E13 73.76 4.65 -9.02 -0.96 0
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21975 594487 1 OCl5C18H27 AB5C18D27 -68.6 5.97 -8.87 -0.17 0
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21976 594490 1 N2O2Cl3F3H18C27 A2B2C3D3E18F27 -132.17 8.66 -9.15 -1.22 0
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21977 594491 2 ClON2H5C7 ABC2D5E7 74.54 10.92 -9.68 -1.72 0
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21978 594505 1 SCl2N5H7C9 AB2C5D7E9 100.46 5.05 -8.85 -1.42 0
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21979 594507 1 Cl2N4H10C13 A2B4C10D13 76.35 5.88 -8.64 -1.0 0
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21980 594510 1 Cl2N5C16H17 A2B5C16D17 61.87 3.16 -8.46 -0.78 0
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21981 594511 1 NCl4H9C13 AB4C9D13 15.22 2.07 -8.76 -0.84 0
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21982 594512 1 Cl2O2N4H8C13 A2B2C4D8E13 73.04 8.43 -9.91 -1.78 0
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21983 594515 1 Cl2N3O3H15C18 A2B3C3D15E18 -90.07 11.76 -8.88 -1.44 0
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21984 594525 1 NOC15H19 ABC15D19 -36.44 6.68 -8.81 -0.37 0
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21985 594530 1 NOC22H33 ABC22D33 -67.72 6.49 -8.8 -0.35 0
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21986 594531 1 NOC23H35 ABC23D35 -72.31 6.45 -8.8 -0.36 0
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21987 594542 1 C13H18 A13B18 -4.57 1.34 -8.66 0.64 0
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21988 594544 1 C13H18 A13B18 -11.56 0.49 -8.74 0.57 0
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21989 594552 1 NOF3H4C7 ABC3D4E7 -154.12 4.25 -10.41 -1.18 0
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21990 594558 1 ON2C10H12 AB2C10D12 -2.36 4.95 -8.52 0.18 0
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21991 594571 1 Cl2N5H7C8 A2B5C7D8 86.68 5.52 -10.04 -1.17 0
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21992 594588 2 NOC8H9 ABC8D9 -44.83 3.62 -8.1 -0.44 0
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21993 594598 3 OC4H4 AB4C4 -74.46 6.84 -8.93 -1.02 0
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21994 594622 1 Cl2O2C13H14 A2B2C13D14 -98.22 3.21 -9.73 -0.79 0
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21995 594652 1 NO2F3H10C15 AB2C3D10E15 -183.14 2.07 -9.32 -0.85 0
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21996 594654 1 OCl2N2H12C17 AB2C2D12E17 43.86 3.92 -9.48 -0.95 0
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21997 594679 1 O2Si2C39H74 A2B2C39D74 -301.26 0.97 -9.02 1.32 0
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21998 594704 1 O2N3C18H23 A2B3C18D23 -46.64 1.6 -8.77 -0.42 0
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21999 594706 2 NO2C7H7 AB2C7D7 -51.58 2.06 -8.98 -0.42 0
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22000 594707 4 OC5H6 AB5C6 -164.6 1.72 -8.9 -0.62 0
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22001 594709 1 NO3H7C9 AB3C7D9 -77.28 4.76 -10.04 -1.35 0
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22002 594712 1 O4C15H26 A4B15C26 -206.71 3.15 -9.99 0.45 0
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22003 594740 1 S2C7H12 A2B7C12 19.77 1.38 -8.17 0.18 0
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22004 594781 4 C3H4 A3B4 22.04 1.0 -10.18 1.84 0
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22005 594839 1 NC12H17 AB12C17 5.32 2.0 -8.03 0.6 0
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22006 594893 1 NC12H17 AB12C17 7.93 1.64 -8.62 0.41 0
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22007 594895 1 NOC11H13 ABC11D13 -9.48 4.25 -8.71 0.16 0
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22008 594896 1 NOC11H13 ABC11D13 -9.54 1.44 -9.04 -0.2 0
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22009 594898 1 NO2C12H13 AB2C12D13 -55.69 6.07 -9.23 -1.34 0
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22010 594983 2 OC10H12 AB10C12 -72.33 4.7 -8.52 0.39 0
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22011 594984 1 ClNO2H14C17 ABC2D14E17 -37.34 4.92 -8.92 -0.56 0
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22012 594985 1 NO2C19H25 AB2C19D25 -54.63 3.25 -8.49 0.39 0
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22013 595003 1 O2N3C20H23 A2B3C20D23 -46.56 3.92 -8.7 -1.08 0
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22014 595015 1 NO2C18H23 AB2C18D23 -74.28 2.66 -8.59 0.33 0
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22015 595057 1 NO2C14H17 AB2C14D17 -50.32 4.6 -8.99 -0.34 0
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22016 595060 1 ON6C26H28 AB6C26D28 118.36 5.21 -8.42 -1.28 0
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22017 595090 1 NO3C18H19 AB3C18D19 -99.78 9.98 -9.42 -0.82 0
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22018 595169 1 C13H20 A13B20 -4.9 1.53 -8.76 1.39 0
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22019 595252 1 N3C9H11 A3B9C11 28.91 1.69 -8.05 0.14 0
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22020 595275 1 O2C17H26 A2B17C26 -126.2 2.45 -8.72 0.96 0
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22021 595348 1 O2C19H28 A2B19C28 -82.6 3.83 -8.86 -0.57 0
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22022 595365 1 NSO2C12H13 ABC2D12E13 -45.51 5.7 -8.74 -1.15 0
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22023 595370 3 C5H8 A5B8 -12.54 1.03 -9.41 1.57 0
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22024 595383 1 SO2N4C14H22 AB2C4D14E22 -39.93 4.13 -8.6 -0.23 0
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22025 595414 1 SN2F3O5C15H21 AB2C3D5E15F21 -379.06 7.01 -9.47 -0.52 0
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22026 595417 1 BO3C15H21 AB3C15D21 -205.85 3.8 -9.38 -0.72 0
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22027 595544 1 ClOSN2C7H9 ABCD2E7F9 -33.88 5.37 -9.28 -1.1 0
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22028 595576 1 NO4H15C16 AB4C15D16 -111.82 6.08 -8.66 -0.7 0
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22029 595702 1 Cl2O2N5C18H21 A2B2C5D18E21 -68.44 3.15 -8.76 -0.67 0
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22030 595796 1 C8H9 A8B9 45.03 1.5 0.0 0.0 -5
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22031 595827 1 NO6C22H23 AB6C22D23 -178.29 2.81 -8.36 0.03 0
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22033 595829 1 BrCNCl2O2 ABCD2E2 -11.61 2.24 -11.31 -2.21 0
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22034 595830 1 Cl2N3O3H11C15 A2B3C3D11E15 -46.96 4.8 -9.13 -1.15 0
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22035 595831 1 ON6C14H14 AB6C14D14 112.13 5.95 -8.96 -1.18 0
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22036 595832 1 SO2N5C7H9 AB2C5D7E9 3.45 9.65 -10.21 -1.32 0
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22037 595833 3 OC5H8 AB5C8 -146.2 3.55 -9.67 0.49 0
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22038 595886 1 IO2C10H11 AB2C10D11 -74.79 1.73 -10.04 -1.31 0
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22039 595887 1 ON2C12H16 AB2C12D16 57.07 1.27 -9.61 -0.23 0
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22040 595888 1 O2C15H28 A2B15C28 -150.92 2.78 -10.03 2.78 0
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22041 595889 1 PO2C17H33 AB2C17D33 -200.8 2.64 -9.65 1.61 0
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22042 595890 1 O2C13H24 A2B13C24 -135.42 4.02 -9.76 2.59 0
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22043 595891 1 BrOH9C14 ABC9D14 18.54 4.62 -9.31 -1.33 0
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22044 595892 1 NO4C12H13 AB4C12D13 -106.02 2.85 -8.62 -0.48 0
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22045 595893 1 F3N5C15H16 A3B5C15D16 -58.3 10.08 -8.84 -0.66 0
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22046 595898 1 SiO5C16H24 AB5C16D24 -258.06 4.29 -9.65 -1.06 0
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22047 595900 1 N2O3C8H8 A2B3C8D8 -32.06 4.12 -10.48 -1.67 0
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22048 595901 1 O2N3H5C7 A2B3C5D7 43.38 6.69 -9.7 -1.54 0
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22049 595902 1 O2N3H5C7 A2B3C5D7 60.49 8.0 -9.76 -1.84 0