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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