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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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6910 70455 2 N2C5H12 A2B5C12 29.75 0.15 -7.18 1.42 0
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6911 70456 1 NOC12H25 ABC12D25 -96.24 4.04 -9.36 1.23 0
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6912 70457 1 O3C8H14 A3B8C14 -137.23 2.32 -10.57 -0.24 0
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6913 70458 1 O3C6H14 A3B6C14 -157.26 2.88 -10.16 2.12 0
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6914 70473 1 N2Si2C7H18 A2B2C7D18 -83.16 0.02 -9.2 0.55 0
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6915 70504 1 OC4H6N6 AB4C6D6 41.78 3.02 -8.93 -0.79 0
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6916 70511 1 NO2C8H9 AB2C8D9 -61.33 3.13 -10.17 -0.32 0
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6917 70512 1 PO3C7H15 AB3C7D15 -192.48 2.78 -9.63 1.06 0
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6918 70514 1 NaSO4H5C7 ABC4D5E7 -163.46 7.98 -9.85 -0.6 0
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6919 70515 2 OC5H5 AB5C5 -64.91 5.13 -9.88 -0.14 0
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6920 70517 1 N3C9H13 A3B9C13 36.42 3.31 -8.77 0.06 0
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6921 70518 1 NOC10H13 ABC10D13 -23.35 3.0 -7.83 0.24 0
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6922 70520 1 OC11H14 AB11C14 -26.49 2.97 -9.47 0.2 0
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6923 70530 1 ON2C10H14 AB2C10D14 -11.88 2.67 -8.11 0.17 0
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6924 70531 1 O3C10H10 A3B10C10 -88.07 2.41 -8.94 -0.08 0
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6925 70532 1 NOC11H11 ABC11D11 -6.15 3.97 -9.39 -0.79 0
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6926 70533 1 NaN2H3O5C6 AB2C3D5E6 -89.79 11.98 -9.41 -1.07 0
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6927 70534 1 NO2H7C10 AB2C7D10 -10.17 4.11 -10.25 -1.38 0
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6928 70540 1 N2O2H7C10 A2B2C7D10 69.83 4.11 0.0 0.0 -1
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6929 70543 2 O2H4C5 A2B4C5 -123.45 11.92 -9.06 -1.43 0
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6930 70544 2 NC6H9 AB6C9 14.82 0.93 -8.71 0.47 0
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6931 70546 1 O3C12H14 A3B12C14 -99.02 4.27 -8.39 -0.44 0
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6932 70547 1 ON2C12H14 AB2C12D14 -19.87 5.19 -8.58 -0.15 0
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6933 70548 1 BrOH9C13 ABC9D13 21.16 4.31 -9.86 -0.96 0
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6934 70549 3 OC2N2H4 AB2C2D4 -98.28 1.04 -10.04 -0.36 0
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6935 70559 1 PO3C14H23 AB3C14D23 -191.9 2.92 -9.92 -0.21 0
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6936 70565 1 NI2O4C11H11 AB2C4D11E11 -131.08 6.56 -9.4 -1.56 0
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6937 70567 1 ON3C15H23 AB3C15D23 -34.99 3.18 -8.94 0.44 0
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6938 70568 1 N3C16H23 A3B16C23 32.99 1.5 -8.94 0.38 0
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6939 70570 1 ClN3O3H8C12 AB3C3D8E12 13.7 5.35 -9.39 -1.78 0
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6940 70572 1 S2O4C13H16 A2B4C13D16 -163.6 4.79 -9.06 -0.49 0
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6941 70574 1 ON3C16H25 AB3C16D25 -39.62 3.26 -8.91 0.42 0
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6942 70577 1 NO3C16H21 AB3C16D21 -113.39 4.16 -9.28 0.22 0
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6943 70584 1 ON3C19H29 AB3C19D29 -48.6 3.3 -8.88 0.43 0
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6944 70611 1 PCl2O3C4H9 AB2C3D4E9 -195.99 3.53 -10.17 0.37 0
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6945 70618 1 NaSO4C9H19 ABC4D9E19 -254.2 7.85 -10.17 0.26 0
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6946 70619 1 SO4C9H20 AB4C9D20 -208.85 3.63 -11.18 -0.82 0
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6947 70621 1 O7C14H30 A7B14C30 -307.54 3.81 -9.48 1.39 0
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6948 70624 1 ClN2C6H7 AB2C6D7 32.94 2.53 -8.54 -0.11 0
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6949 70625 1 PC4O4H9 AB4C4D9 -214.31 2.48 -9.98 0.69 0
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6950 70628 1 NC9H11 AB9C11 52.58 1.72 -9.41 0.34 0
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6951 70633 1 N2O3C6H6 A2B3C6D6 8.52 1.78 -10.15 -1.77 0
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6952 70634 1 O2C9H10 A2B9C10 -57.82 1.78 -9.67 0.07 0
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6953 70646 1 NSiCl2C9H9 ABC2D9E9 -43.01 3.76 -9.93 -0.74 0
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6954 70649 1 NSiCl2C10H11 ABC2D10E11 -47.8 2.94 -9.8 -0.59 0
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6955 70650 2 ClSiC5H8 ABC5D8 -116.1 0.22 -9.28 -0.34 0
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6956 70652 1 NO3C10H13 AB3C10D13 -112.98 2.34 -9.16 -0.18 0
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6957 70679 1 ClC5H7 AB5C7 22.37 2.65 -10.67 0.34 0
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6958 70710 2 SC4H8 AB4C8 -8.31 0.37 -7.96 0.37 0
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6959 70712 1 ClC4H7 AB4C7 -14.29 2.28 -10.54 1.03 0
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6960 70741 1 BrOH5C7 ABC5D7 -0.63 2.3 -10.04 -1.11 0
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6961 70745 2 OC4H7 AB4C7 -111.01 2.74 -9.68 0.52 0
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6962 70748 1 OC9H16 AB9C16 -71.02 2.88 -9.6 0.85 0
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6963 70766 1 N2H8C9 A2B8C9 49.03 3.57 -8.49 -0.66 0
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6964 70773 1 ClON3C7H10 ABC3D7E10 -1.41 10.33 -8.78 -2.07 0
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6965 70774 1 ON3C7H10 AB3C7D10 13.39 2.53 0.0 0.0 1
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6966 70776 1 N2C9H20 A2B9C20 -14.09 0.77 -8.55 2.69 0
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6967 70792 2 OC5H9 AB5C9 -127.96 2.02 -10.45 1.0 0
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6968 70807 1 NSO4C7H15 ABC4D7E15 -178.31 2.99 -8.95 0.17 0
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6969 70809 2 H2Cl3C4 A2B3C4 -29.26 0.39 -9.85 -1.43 0
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6970 70819 1 OH12C14 AB12C14 4.33 0.34 -8.72 -0.44 0
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6971 70833 1 SN2O5C8H10 AB2C5D8E10 -100.59 8.96 -10.05 -1.28 0
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6972 70834 1 O3C13H18 A3B13C18 -128.98 6.62 -9.54 -0.6 0
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6973 70836 1 NO2H9C14 AB2C9D14 -16.85 4.26 -9.42 -1.01 0
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6974 70839 1 NO3H9C13 AB3C9D13 14.95 5.24 -10.33 -1.78 0
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6975 70852 1 O3H14C16 A3B14C16 -81.22 5.58 -9.74 -0.87 0
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6976 70854 1 N3O4H9C12 A3B4C9D12 44.1 6.92 -10.31 -1.79 0
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6977 70860 1 OSiN2C16H20 ABC2D16E20 -42.68 3.99 -8.57 -0.14 0
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6978 70861 2 NSO2H4C6 ABC2D4E6 30.86 6.11 -8.83 -1.66 0
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6979 70862 2 IO2H5C7 AB2C5D7 -81.05 6.01 -9.13 -1.54 0
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6980 70863 1 ClNO2C17H26 ABC2D17E26 -115.72 3.4 -8.57 -0.25 0
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6981 70870 2 NC9H17 AB9C17 -49.07 2.84 -8.69 2.98 0
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6982 70872 1 N2O2H14C17 A2B2C14D17 56.65 5.87 -9.72 -0.6 0
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6983 70879 2 ClNC10H20 ABC10D20 -129.33 1.74 -8.72 1.82 0
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6984 70889 1 N2O5C19H20 A2B5C19D20 -171.82 4.52 -9.74 -0.29 0
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6985 70899 1 FC3H5 AB3C5 -45.82 1.8 -10.27 0.95 0
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6986 70904 1 NC9H21 AB9C21 -40.05 1.37 -8.63 3.15 0
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6987 70905 1 ClNC8H20 ABC8D20 -73.12 3.57 -8.99 2.21 0
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6988 70906 1 NC8H19 AB8C19 -36.82 1.35 -8.61 3.2 0
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6989 70908 1 ON2C6H16 AB2C6D16 -39.78 2.73 -8.56 1.91 0
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6990 70911 1 O4C11H16 A4B11C16 -160.99 2.44 -10.54 -0.2 0
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6991 70912 1 NO3C8H15 AB3C8D15 -163.14 6.31 -10.21 0.35 0
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6992 70917 1 O2C11H18 A2B11C18 -98.32 2.73 -9.19 0.17 0
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6993 70918 1 CClNSO3 ABCDE3 -102.48 1.49 -12.18 -2.27 0
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6994 70922 2 CNOH2 ABCD2 -84.87 4.03 -11.01 -0.04 0
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6995 70926 1 NS2O3C6H15 AB2C3D6E15 -139.31 1.73 -9.26 -1.44 0
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6996 70930 1 NS2O3C9H21 AB2C3D9E21 -153.82 3.32 -9.25 -1.37 0
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6997 70931 2 O3C6H13 A3B6C13 -258.25 3.17 -9.79 1.25 0
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6998 70933 5 CH2 AB2 -0.68 0.32 -10.71 2.74 0
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6999 70947 1 BrCl2H3C6 AB2C3D6 11.21 1.22 -9.72 -0.85 0
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7000 70951 1 N2O3H4C5 A2B3C4D5 -98.43 3.17 -10.51 -1.9 0
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7001 70952 1 SH8C9 AB8C9 29.48 1.02 -8.62 -0.26 0
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7002 70957 1 NO2C7H9 AB2C7D9 -62.89 2.85 -10.15 -0.54 0
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7003 70960 1 O3C8H10 A3B8C10 -117.93 4.38 -9.9 -0.3 0
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7004 70963 1 Br2H2N4C5 A2B2C4D5 80.47 6.51 -10.03 -1.83 0
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7005 70965 1 NC10H11 AB10C11 20.72 2.13 -8.27 0.27 0
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7006 70969 1 ClNC10H16 ABC10D16 -31.58 1.38 -9.02 0.65 0
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7007 70971 1 NH9C10 AB9C10 59.37 3.77 -9.72 -0.31 0
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7008 70973 1 INOC9H16 ABCD9E16 -11.84 12.8 -6.97 -0.48 0
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7009 70974 1 BrNOH6C9 ABCD6E9 13.38 0.82 -8.98 -0.96 0