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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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31726 3288052 1 ClS2N3O3H22C23 AB2C3D3E22F23 -55.13 6.8 -8.9 -1.25 0
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31727 3288058 1 N4O5H20C22 A4B5C20D22 -127.38 7.99 -8.97 -1.33 0
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31728 3288059 1 N2S2O3C18H20 A2B2C3D18E20 -89.36 4.49 -8.39 -1.11 0
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31729 3288060 1 BrSN2O5C19H25 ABC2D5E19F25 -200.3 4.56 -9.29 -1.03 0
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31730 3288062 1 SO2N4C17H20 AB2C4D17E20 -27.58 5.97 -8.53 -1.88 0
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31731 3288065 1 SCl2N3O3H13C16 AB2C3D3E13F16 -40.18 6.79 -8.99 -0.88 0
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31732 3288067 1 NSO2C17H21 ABC2D17E21 -56.97 5.49 -9.04 -0.34 0
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31733 3288072 1 ClN3O6C24H26 AB3C6D24E26 -195.77 2.84 -8.68 -0.64 0
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31734 3288073 1 SO2N3F6C27H27 AB2C3D6E27F27 -316.29 9.01 -8.29 -0.9 1
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31735 3288074 1 ClN2O2C7H8 AB2C2D7E8 9.59 6.83 0.0 0.0 0
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31736 3288075 1 OSN5C25H25 ABC5D25E25 63.48 3.0 -8.56 -0.63 0
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31737 3288077 1 FSN2O2C26H27 ABC2D2E26F27 -72.75 2.17 -9.16 -0.62 0
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31738 3288079 1 ClS2N3O4C26H26 AB2C3D4E26F26 -87.07 7.28 -9.29 -0.85 0
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31739 3288080 1 SO2F3N3H24C26 AB2C3D3E24F26 -184.76 5.66 -8.36 -1.21 0
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31740 3288086 1 SO2N3C22H25 AB2C3D22E25 -36.13 4.91 -8.6 -0.97 0
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31741 3288087 3 NOC7H9 ABC7D9 -54.65 5.27 -9.59 -0.51 0
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31742 3288089 1 ClSO2N3C15H22 ABC2D3E15F22 -89.97 4.63 -8.79 -0.39 0
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31743 3288093 1 NSO3C19H23 ABC3D19E23 -97.78 4.99 -8.91 -0.64 0
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31744 3288095 1 OCl2N2C23H24 AB2C2D23E24 0.79 4.56 -8.82 -0.52 0
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31745 3288096 1 FON2C24H27 ABC2D24E27 -37.21 5.13 -8.87 -0.23 0
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31746 3288098 1 N2O2C27H34 A2B2C27D34 -44.46 4.75 -8.6 -0.02 0
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31747 3288099 1 N2O3C25H30 A2B3C25D30 -66.3 2.22 -8.52 -0.07 0
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31748 3288100 1 ClON2C19H25 ABC2D19E25 -30.92 1.97 -8.68 0.05 0
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31749 3288106 2 N2O2C17H21 A2B2C17D21 -101.1 2.38 -8.12 0.19 0
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31750 3711129 2 ON2C7H8 AB2C7D8 18.98 6.56 -8.28 -0.39 0
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31751 3711373 1 O2N3H23C24 A2B3C23D24 -12.61 5.77 -8.53 -0.7 0
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31752 3712514 1 ClOSN4H13C17 ABCD4E13F17 97.78 6.44 -9.21 -1.29 0
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31753 3713471 1 N3O3C19H23 A3B3C19D23 -16.98 4.02 -9.44 -1.5 0
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31754 3714087 1 ClO2N4C26H29 AB2C4D26E29 0.22 6.44 -8.69 -0.87 0
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31755 3714463 1 O2N6C25H32 A2B6C25D32 43.44 7.55 -8.86 -0.16 0
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31756 3714947 1 NSO3C16H21 ABC3D16E21 -133.95 1.59 -8.48 -0.5 0
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31757 3715869 1 N3O6C27H29 A3B6C27D29 -160.4 7.6 -8.76 -0.97 0
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31758 3715954 1 N2S2O3C19H24 A2B2C3D19E24 -95.63 8.62 -8.92 -0.87 0
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31759 3717995 1 NOC17H19 ABC17D19 -4.87 3.02 -8.49 0.28 0
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31760 3717999 1 ClSN2O2H15C16 ABC2D2E15F16 -50.7 5.02 -9.24 -0.85 0
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31761 3718001 1 BrClOSF2N4H14C18 ABCDE2F4G14H18 -49.66 4.76 -9.24 -1.03 0
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31762 3718009 1 NSCl2O2F3H12C19 ABC2D2E3F12G19 -184.55 9.7 -9.11 -1.3 0
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31763 3718013 1 NO4C17H21 AB4C17D21 -145.62 11.42 -8.7 -0.35 0
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31764 3718014 1 SF2N2O2H8C14 AB2C2D2E8F14 -87.89 3.37 -9.49 -1.68 0
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31765 3718016 1 SO2N3C19H19 AB2C3D19E19 12.28 2.28 -8.83 -0.83 0
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31766 3718017 1 OSN7C17H21 ABC7D17E21 71.5 2.03 -9.27 -0.8 0
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31767 3718018 1 ClSN2O2C12H15 ABC2D2E12F15 -89.82 2.76 -9.39 -1.33 0
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31768 3718021 1 SCl2O2N3C12H13 AB2C2D3E12F13 -34.28 7.44 -8.6 -0.5 0
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31769 3718022 1 NSCl2O2C15H15 ABC2D2E15F15 -57.38 4.41 -9.4 -1.14 0
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31770 3718035 1 NSO4H15C18 ABC4D15E18 -105.87 8.41 -8.57 -0.96 0
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31771 3718044 1 ON2C28H30 AB2C28D30 49.94 1.47 -8.33 0.08 1
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31772 3718047 1 N2S2Se2H21C25 A2B2C2D21E25 110.58 2.6 0.0 0.0 0
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31773 3718048 1 ClNS2O3H10C14 ABC2D3E10F14 -50.67 3.96 -8.69 -1.12 0
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31774 3718049 1 ON3C32H35 AB3C32D35 42.04 7.6 -8.48 -0.13 0
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31775 3718050 1 BrO2H7C9 AB2C7D9 -64.41 2.14 -9.44 -0.94 0