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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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165892 74610381 1 O2N5C23H42 A2B5C23D42 -51.3 5.62 0.0 0.0 1
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165893 74610382 1 O2N3C23H36 A2B3C23D36 -82.04 7.52 0.0 0.0 0
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165894 74610383 1 ON3C19H35 AB3C19D35 -78.92 3.91 -8.55 1.1 1
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165895 74610384 1 O2N5C18H28 A2B5C18D28 51.87 5.18 0.0 0.0 0
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165896 74610385 1 O2N5C18H27 A2B5C18D27 12.67 4.32 -8.79 -0.44 1
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165897 74610460 1 SN3O3C25H34 AB3C3D25E34 -53.75 4.61 0.0 0.0 0
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165898 74610826 1 SN3O3C21H25 AB3C3D21E25 -85.81 4.82 -8.95 -0.19 0
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165899 74610856 1 FSN4O4C21H29 ABC4D4E21F29 -225.09 4.02 -8.94 -0.24 0
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165900 74610857 1 FSO2N3C18H24 ABC2D3E18F24 -130.76 6.3 -8.86 -0.19 0
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165901 74610983 1 FSN3O3C21H24 ABC3D3E21F24 -134.83 3.03 -8.75 -0.19 0
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165902 74610984 1 FO2S2N3C20H22 AB2C2D3E20F22 -92.76 6.64 -8.31 -0.54 0
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165903 74611594 2 NO2C11H12 AB2C11D12 -109.35 8.3 -8.7 -0.68 0
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165904 74611755 1 FO2N3C21H30 AB2C3D21E30 -137.48 4.18 -8.76 -0.11 0
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165905 74612427 1 SO2N3C21H23 AB2C3D21E23 5.23 5.71 -8.74 -0.1 0
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165906 74612428 1 N4O5C23H28 A4B5C23D28 -146.96 4.13 -8.93 -0.18 1
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165907 74612429 1 SO3N6C21H23 AB3C6D21E23 21.49 3.9 0.0 0.0 0
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165908 74612430 1 SO3N6C21H22 AB3C6D21E22 48.87 4.59 -8.9 -1.66 1
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165909 74612472 1 ClSN3O3C21H23 ABC3D3E21F23 -39.51 3.8 0.0 0.0 0
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165910 74612958 1 SN3O4C22H23 AB3C4D22E23 -104.47 9.23 -8.6 -0.67 1
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165911 74613107 1 IN2O2C20H24 AB2C2D20E24 -15.32 14.3 0.0 0.0 1
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165912 74613108 1 Cl2N2O2C20H23 A2B2C2D20E23 -45.57 5.02 0.0 0.0 1
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165913 74613207 1 N4O4C11H21 A4B4C11D21 -174.76 3.89 0.0 0.0 1
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165914 74613331 1 F2N2O3C23H27 A2B2C3D23E27 -165.92 4.98 0.0 0.0 0
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165915 74614490 1 SF2N4O4C23H24 AB2C4D4E23F24 -206.11 2.08 -8.46 -1.12 0
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165916 74614491 1 F2S2N3O5C19H21 A2B2C3D5E19F21 -239.54 3.98 -9.16 -1.05 0
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165917 74614492 1 SF2N3O5C23H25 AB2C3D5E23F25 -240.82 4.99 -8.87 -1.19 0
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165918 74614493 1 SF2N4O6C20H20 AB2C4D6E20F20 -215.28 2.14 -9.47 -1.65 0
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165919 74614559 1 FN3O3C20H26 AB3C3D20E26 -134.48 5.2 -8.87 -0.72 0
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165920 74614560 1 SO4N5C22H29 AB4C5D22E29 -105.06 13.72 -9.34 -0.96 0
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165921 74614561 1 OS3N5H15C17 AB3C5D15E17 103.81 5.45 -8.51 -1.25 0
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165922 74614619 1 N3O4H23C24 A3B4C23D24 -82.04 1.84 -8.92 -0.67 0
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165923 74614620 1 N3O4C24H27 A3B4C24D27 -91.97 6.23 -9.56 -1.5 0
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165924 74614621 1 ClN2O4H15C19 AB2C4D15E19 -40.35 4.75 -9.25 -1.11 0
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165925 74614918 1 ClNSO7C23H26 ABCD7E23F26 -236.34 8.12 -8.82 -1.45 0
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165926 74615127 1 N3O5C23H25 A3B5C23D25 -85.24 5.16 -8.07 -1.76 0
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165927 74615128 1 BrN3O4C20H20 AB3C4D20E20 -52.51 4.57 -9.16 -1.64 0
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165928 74615129 1 IN3O3H18C19 AB3C3D18E19 -3.64 3.87 -9.47 -1.5 0
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165929 74615130 1 N3O3C21H23 A3B3C21D23 -39.13 4.75 -9.27 -1.75 0
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165930 74616190 1 N3O4C24H33 A3B4C24D33 -132.19 4.55 -8.81 -0.4 0
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165931 74616327 1 N2O5C28H36 A2B5C28D36 -198.15 3.8 -8.69 -0.55 0
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165932 74616328 1 ClN2O5C21H21 AB2C5D21E21 -170.48 3.61 -9.33 -0.51 0
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165933 74616332 1 ClSO2N3C21H22 ABC2D3E21F22 19.51 6.04 -8.8 -0.77 0
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165934 74616504 1 ClN2O6C21H21 AB2C6D21E21 -203.83 6.13 -8.91 -0.54 -1
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165935 74616804 1 FN3O5C27H27 AB3C5D27E27 -135.86 10.49 0.0 0.0 0
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165936 74616843 1 N3O4C25H27 A3B4C25D27 -42.59 17.81 -7.83 -1.13 0
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165937 74616844 1 N2O5H28C30 A2B5C28D30 -55.68 18.15 -8.04 -1.17 0
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165938 74617111 1 FN2O4C19H23 AB2C4D19E23 -168.7 3.81 -8.97 -0.64 0
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165939 74617267 1 N2O9H22C23 A2B9C22D23 -218.76 4.85 -8.3 -1.49 0
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165940 74617497 1 NO7H17C19 AB7C17D19 -154.3 5.27 -9.87 -1.27 0
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165941 74617751 1 SN3O5C24H25 AB3C5D24E25 -111.02 7.91 -8.64 -1.04 0
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165942 74617752 1 N2O3C22H26 A2B3C22D26 -89.6 6.14 -8.99 -0.78 0
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165943 74617753 1 ClN3O5C23H28 AB3C5D23E28 -162.43 4.35 -8.66 -0.67 0
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165944 74617754 1 SN4O6C23H28 AB4C6D23E28 -153.01 10.51 -8.83 -1.21 0
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165945 74617755 1 N3O5C27H29 A3B5C27D29 -125.84 5.48 -8.71 -0.47 0
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165946 74617756 1 N4O5C17H20 A4B5C17D20 -93.43 6.91 -8.77 -1.6 0
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165947 74617757 1 N2F4O4C17H20 A2B4C4D17E20 -369.54 4.34 -9.52 -1.2 0
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165948 74617758 1 N2O3C21H28 A2B3C21D28 -114.69 1.76 -8.88 -0.61 0
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165949 74617759 1 ClO2N4C17H27 AB2C4D17E27 -90.12 1.02 -9.14 -0.4 0
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165950 74618078 1 N2O7C28H38 A2B7C28D38 -241.26 4.62 -8.52 -0.8 0
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165951 74618597 1 SN3O4H17C22 AB3C4D17E22 2.53 5.05 -9.52 -3.09 0
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165952 74618655 1 BrN2O7H17C19 AB2C7D17E19 -136.49 5.15 -8.35 -1.2 0
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165953 74618849 1 ClN3O4C20H28 AB3C4D20E28 -196.78 3.9 -9.64 -1.04 0
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165954 74618850 1 ClN4O4C26H29 AB4C4D26E29 -143.43 6.65 -8.67 -0.79 0
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165955 74618851 1 FN3O4C20H28 AB3C4D20E28 -235.55 4.25 -9.57 -0.86 0
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165956 74618879 1 F2O2N3C16H17 A2B2C3D16E17 -108.59 5.77 -9.31 -0.6 0
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165957 74619017 1 N2O3C22H34 A2B3C22D34 -152.72 8.56 -9.61 -0.36 0
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165958 74619402 1 SO3N5C16H23 AB3C5D16E23 -112.54 1.64 -9.17 -0.48 0
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165959 74619572 1 O4N5C14H17 A4B5C14D17 -68.11 3.58 -9.81 -1.87 0
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165960 74619573 1 F2N3O6H15C21 A2B3C6D15E21 -171.39 4.48 -9.28 -1.63 0
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165961 74619677 1 N3O3C23H27 A3B3C23D27 -89.04 4.45 -9.03 -0.88 0
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165962 74619678 1 SN3O4C19H19 AB3C4D19E19 -77.64 2.27 -9.06 -2.12 0
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165963 74619873 1 SN2O6C25H30 AB2C6D25E30 -195.17 6.01 -8.84 -1.03 0
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165964 74620000 1 O3N5C12H17 A3B5C12D17 -94.89 3.23 -9.6 -0.28 0
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165965 74620001 1 N3O4C24H27 A3B4C24D27 -74.71 4.53 -8.99 -0.55 0
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165966 74620002 2 NOC11H13 ABC11D13 -49.56 0.45 -8.79 -0.62 1
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165967 74620273 1 N2O3C22H29 A2B3C22D29 -44.35 4.86 0.0 0.0 0
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165968 74620301 1 O3N4C26H32 A3B4C26D32 -59.12 2.09 -9.1 -0.15 1
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165969 74620302 1 N2O2C22H27 A2B2C22D27 -9.37 1.24 0.0 0.0 0
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165970 74620504 1 SN2O6C24H28 AB2C6D24E28 -184.29 5.16 -9.42 -1.02 0
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165971 74620978 1 O2S2Cl3N3H8C15 A2B2C3D3E8F15 52.25 3.9 -9.59 -2.09 0
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165972 74620979 1 Cl2S2O3N4H12C16 A2B2C3D4E12F16 10.87 1.66 -8.57 -2.05 0
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165973 74620980 1 ClFON5H21C24 ABCD5E21F24 37.87 4.94 -9.05 -0.78 0
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165974 74620981 1 ClOSF2N3H14C16 ABCD2E3F14G16 -68.08 3.98 -9.56 -0.91 0
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165975 74620982 1 SO2F4N4H14C17 AB2C4D4E14F17 -192.74 3.37 -9.34 -0.89 0
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165976 74621019 1 N4O4C25H36 A4B4C25D36 -160.47 7.96 -8.97 -0.16 0
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165977 74621109 1 SF2O2N4H22C23 AB2C2D4E22F23 -83.08 2.64 -8.79 -0.41 -1
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165978 74621437 1 NPO3C14H15 ABC3D14E15 -124.5 6.88 0.0 0.0 -1
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165979 74621438 1 NPO3C15H17 ABC3D15E17 -134.67 8.01 0.0 0.0 -1
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165980 74621439 1 ClNPO4C15H16 ABCD4E15F16 -177.95 5.37 0.0 0.0 -1
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165981 74621440 1 ClNPO3C16H18 ABCD3E16F18 -158.35 5.69 0.0 0.0 -1
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165982 74621441 1 NPO3C14H15 ABC3D14E15 -130.55 6.28 0.0 0.0 0
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165983 74621492 1 N3O4C24H27 A3B4C24D27 -76.83 7.32 -8.9 -1.82 1
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165984 74621493 1 N2O2C25H33 A2B2C25D33 -42.28 5.26 0.0 0.0 1
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165985 74621735 1 SO3N5C21H34 AB3C5D21E34 -74.1 4.75 0.0 0.0 0
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165986 74621736 1 ClN2O4C24H29 AB2C4D24E29 -136.15 3.94 -8.96 -0.86 0
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165987 74621737 1 ON4C19H26 AB4C19D26 -15.17 7.65 -8.35 0.02 0
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165988 74622164 1 S2O3N4H14C17 A2B3C4D14E17 40.24 5.35 -9.2 -1.73 1
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165989 74622295 1 NO7C23H24 AB7C23D24 -224.66 4.59 0.0 0.0 0
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165990 74622296 1 NO7C23H23 AB7C23D23 -217.57 5.48 -8.66 -0.84 -1
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165991 74622297 1 ClFN2S2O5H17C18 ABC2D2E5F17G18 -180.03 6.45 0.0 0.0 0