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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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6785 70000 1 C11H12 A11B12 50.42 0.34 -9.47 0.35 0
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6786 70001 1 NaSO4H5C6 ABC4D5E6 -184.83 6.77 -9.31 0.06 0
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6787 70003 1 OC11H12 AB11C12 -27.51 3.57 -9.57 -0.11 0
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6788 70004 2 H5C6 A5B6 54.8 0.18 -8.75 -0.45 0
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6789 70006 3 NC3H3 AB3C3 73.69 3.54 -8.87 -0.31 0
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6790 70017 1 PH11C12 AB11C12 46.89 1.58 -8.86 0.17 0
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6791 70019 2 O2C5H6 A2B5C6 -130.25 6.62 -9.28 -0.09 0
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6792 70021 1 SN2O2C9H10 AB2C2D9E10 21.25 4.11 -9.18 -1.56 0
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6793 70022 1 N2O5H6C7 A2B5C6D7 -91.92 4.37 -10.65 -2.7 0
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6794 70023 1 NOF4H7C8 ABC4D7E8 -227.59 3.31 -8.86 0.08 0
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6795 70028 1 N2H8C13 A2B8C13 114.45 0.77 -8.59 -0.71 0
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6796 70032 1 O3C12H14 A3B12C14 -124.44 9.04 -10.09 -1.0 0
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6797 70033 1 ClNOC13H18 ABCD13E18 -53.38 3.3 -8.79 -0.5 0
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6798 70043 2 OC7H7 AB7C7 -37.94 3.32 -8.94 0.05 0
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6799 70044 1 O2C15H16 A2B15C16 -53.87 2.46 -8.78 0.15 0
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6800 70045 1 N3O4C10H13 A3B4C10D13 4.35 7.46 -9.74 -1.72 0
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6801 70048 1 N2C17H20 A2B17C20 58.5 0.47 -8.79 0.22 0
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6802 70057 1 NSH11C19 ABC11D19 114.46 1.92 -8.57 -1.54 0
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6803 70124 1 O3C7H8 A3B7C8 -112.02 3.88 -10.6 -0.84 0
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6804 70129 1 NOH7C8 ABC7D8 13.41 5.41 -9.37 -0.51 0
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6805 70136 1 OCl2H6C8 AB2C6D8 -35.55 4.18 -10.49 -1.45 0
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6806 70137 1 BrNOH6C9 ABCD6E9 12.87 4.55 -9.28 -0.87 0
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6807 70138 1 OC11H16 AB11C16 -3.93 1.88 -9.42 0.93 0
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6808 70139 2 Cl2H3C4 A2B3C4 -25.21 1.79 -9.5 -0.82 0
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6809 70141 2 OC5H6 AB5C6 -82.31 1.85 -8.9 0.15 0
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6810 70142 1 SN2O2C7H10 AB2C2D7E10 -44.13 6.52 -9.23 -0.55 0
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6811 70145 1 C13H14 A13B14 15.26 1.55 -8.45 -0.13 0
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6812 70146 1 ClOH7C11 ABC7D11 -4.57 4.44 -9.5 -1.38 0
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6813 70149 1 O3C10H12 A3B10C12 -108.9 3.06 -8.62 0.15 0
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6814 70151 1 N2C11H22 A2B11C22 -21.18 1.7 -8.36 2.68 0
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6815 70153 1 SC12H20 AB12C20 -12.73 1.08 -8.97 0.09 0
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6816 70155 1 NO2H9C11 AB2C9D11 26.45 6.54 -9.42 -1.46 0
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6817 70156 1 NO4H7C9 AB4C7D9 -50.09 1.92 -10.81 -1.97 0
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6818 70157 2 BrNC6H7 ABC6D7 52.44 0.15 -8.65 -2.02 0
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6819 70158 2 NC6H7 AB6C7 69.81 1.48 -7.8 0.58 2
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6820 70160 1 NO3C11H11 AB3C11D11 -99.03 5.03 -10.28 -1.58 0
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6821 70162 3 C5H6 A5B6 7.09 0.89 -8.5 -0.16 0
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6822 70163 1 O3H10C12 A3B10C12 -86.18 3.09 -9.01 -1.05 0
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6823 70173 1 SN3H11C12 AB3C11D12 74.32 1.25 -8.71 -0.57 0
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6824 70176 1 N4O4H8C9 A4B4C8D9 60.17 8.15 -9.65 -1.94 0
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6825 70180 2 OC11H19 AB11C19 -144.88 0.21 -8.25 0.14 0
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6826 70203 1 OC5H8 AB5C8 -24.88 2.89 -10.09 -0.42 0
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6827 70204 1 OC5H8 AB5C8 -17.11 1.75 -10.41 0.77 0
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6828 70205 1 C3O3H4 A3B3C4 -102.92 2.76 -10.49 -0.79 0
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6829 70207 1 SO7C14H26 AB7C14D26 -340.25 2.83 -11.21 -0.56 0
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6830 70208 1 NO2C5H9 AB2C5D9 -84.79 2.78 -10.48 0.18 0
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6831 70209 1 OC9H18 AB9C18 -80.46 3.13 -9.79 0.78 0
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6832 70210 1 PO3C9H21 AB3C9D21 -205.49 2.12 -9.22 1.37 0
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6833 70211 1 O3C4H6 A3B4C6 -109.48 1.25 -10.37 -1.05 0
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6834 70216 1 SO4C8H14 AB4C8D14 -196.62 3.77 -9.13 -0.11 0
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6835 70217 1 O3C5H10 A3B5C10 -146.96 2.72 -10.56 0.58 0
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6836 70220 1 OC6H12 AB6C12 -51.18 2.66 -9.06 1.48 0
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6837 70222 1 NPO3S3C9H20 ABC3D3E9F20 -222.72 2.78 -9.1 -0.58 0
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6838 70223 1 NSC2O4H7 ABC2D4E7 -166.05 1.73 -9.72 -1.03 0
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6839 70224 1 NS2O3C6H15 AB2C3D6E15 -145.03 2.51 -9.14 -1.38 0
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6840 70226 1 SN2C4H10 AB2C4D10 3.14 2.37 -9.15 -0.15 0
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6841 70230 1 HKC4O4 ABC4D4 -151.38 7.69 -10.09 -0.48 0
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6842 70238 1 NS2O3C13H29 AB2C3D13E29 -173.92 3.56 -8.99 -1.44 0
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6843 70240 1 NS2O3C15H33 AB2C3D15E33 -184.22 2.69 -8.91 -1.52 0
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6844 70241 1 NS2O3C16H35 AB2C3D16E35 -183.29 5.02 -9.3 -1.02 0
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6845 70242 1 NS2O3C17H37 AB2C3D17E37 -192.73 0.58 -8.67 -0.07 0
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6846 70244 1 NS2O3C19H41 AB2C3D19E41 -204.37 4.38 -9.32 -1.36 0
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6847 70245 1 NS2O3C20H43 AB2C3D20E43 -205.17 2.28 -9.19 -1.37 0
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6848 70246 1 O3C8H14 A3B8C14 -149.93 6.87 -10.58 -0.36 0
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6849 70247 1 OC9H20 AB9C20 -82.59 1.92 -9.7 2.28 0
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6850 70252 1 ClC5H9 AB5C9 -31.99 2.55 -10.54 1.0 0
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6851 70255 2 NC2H3 AB2C3 41.95 2.93 -9.48 0.82 0
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6852 70257 7 CH2 AB2 -10.25 0.33 -10.58 2.75 0
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6853 70258 1 O2H4C5 A2B4C5 -49.12 1.25 -10.6 -1.4 0
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6854 70260 1 NC7H11 AB7C11 6.26 3.3 -8.09 1.58 0
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6855 70262 2 NC3H5 AB3C5 9.23 4.36 -8.84 0.94 0
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6856 70263 4 C2H3 A2B3 29.63 1.05 -10.42 1.89 0
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6857 70269 1 O2N3C4H5 A2B3C4D5 -59.16 2.15 -10.32 -0.96 0
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6858 70272 1 ClNC7H8 ABC7D8 12.1 3.78 -8.39 0.08 0
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6859 70277 2 NOC3H3 ABC3D3 -44.48 7.2 -9.92 -0.96 0