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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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293000 117369655 1 SN3O3H5C10 AB3C3D5E10 19.97 1.62 -9.82 -2.1 0
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293001 117369668 1 NF4C12H13 AB4C12D13 -176.54 2.18 -9.48 -0.62 0
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293002 117369680 1 NF4C12H13 AB4C12D13 -196.21 4.72 -9.37 -0.79 0
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293003 117369683 1 NF4C12H13 AB4C12D13 -171.87 1.62 -9.0 -0.91 0
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293004 117369711 1 NF2O3C11H15 AB2C3D11E15 -180.64 4.09 -8.58 -0.21 0
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293005 117369721 1 NF2O3C11H15 AB2C3D11E15 -191.07 1.77 -8.88 -0.76 0
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293006 117369751 1 NO4C13H13 AB4C13D13 -84.45 4.33 -8.99 -0.47 0
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293007 117369766 1 NO4C13H13 AB4C13D13 -100.03 4.69 -8.82 -0.41 0
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293008 117369853 1 NO4C13H13 AB4C13D13 -133.43 2.61 -9.12 -1.21 0
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293009 117369860 1 NO4C13H13 AB4C13D13 -123.47 2.07 -9.06 -0.87 0
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293010 117369921 1 N3O3C12H13 A3B3C12D13 -54.24 4.83 -8.32 -0.26 0
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293011 117369935 1 N3O3C12H13 A3B3C12D13 -65.92 4.97 -9.52 -1.32 0
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293012 117369946 1 N3O3C12H13 A3B3C12D13 -88.73 7.49 -9.18 -0.5 0
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293013 117369990 1 N3O3C12H13 A3B3C12D13 -52.65 4.43 -8.44 -0.73 0
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293014 117370026 1 NSF2O2C10H11 ABC2D2E10F11 -161.22 4.24 -8.83 -0.79 0
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293015 117370086 1 NOF3C12H16 ABC3D12E16 -184.93 4.91 -9.13 -0.27 0
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293016 117370089 1 FNO2C14H14 ABC2D14E14 -94.96 1.01 -8.62 -0.19 0
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293017 117370204 1 FNSO3C10H14 ABCD3E10F14 -150.72 6.46 -9.51 -0.96 0
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293018 117370267 1 NO3C14H17 AB3C14D17 -85.14 2.96 -8.48 -0.48 0
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293019 117370423 1 NO3C14H17 AB3C14D17 -64.81 3.24 -9.66 -0.09 0
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293020 117370427 1 NO3C14H17 AB3C14D17 -77.54 4.57 -8.63 -0.3 0
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293021 117370433 1 NO3C14H17 AB3C14D17 -66.9 2.83 -8.92 -0.26 0
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293022 117370442 1 NO3C14H17 AB3C14D17 -69.79 3.26 -8.8 -0.25 0
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293023 117370512 1 NO3C14H17 AB3C14D17 -89.22 4.43 -8.65 -0.21 0
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293024 117370549 1 O2N3C13H17 A2B3C13D17 -33.14 2.69 -8.68 -0.51 0
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293025 117370616 1 O2N3C13H17 A2B3C13D17 -48.47 5.52 -9.26 -0.8 0
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293026 117370618 1 O2N3C13H17 A2B3C13D17 -47.48 5.22 -8.92 -0.67 0
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293027 117370621 1 O2N3C13H17 A2B3C13D17 -51.42 2.86 -8.38 -0.11 0
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293028 117370627 1 O2N3C13H17 A2B3C13D17 -25.16 4.33 -8.37 0.03 0
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293029 117370630 1 O2N3C13H17 A2B3C13D17 -56.87 8.29 -9.09 -0.4 0
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293030 117370631 1 O2N3C13H17 A2B3C13D17 -56.27 5.75 -8.94 -0.38 0
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293031 117370637 1 O2N3C13H17 A2B3C13D17 -25.33 3.35 -8.41 -0.12 0
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293032 117370675 1 O2N3C13H17 A2B3C13D17 -51.29 6.12 -9.29 -0.17 0
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293033 117370676 1 O2N3C13H17 A2B3C13D17 -61.07 4.73 -9.42 -0.37 0
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293034 117370755 1 O2N3C13H17 A2B3C13D17 -16.99 3.48 -8.26 0.22 0
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293035 117370756 1 O2N3C13H17 A2B3C13D17 -15.75 2.82 -8.62 -0.13 0
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293036 117370762 1 O2N3C13H17 A2B3C13D17 -33.18 1.32 -8.5 0.02 0
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293037 117370804 1 O2N3C13H17 A2B3C13D17 -16.1 2.59 -8.65 0.2 0
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293038 117370815 1 O2N3C13H17 A2B3C13D17 -21.93 7.96 -7.41 -0.5 0
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293039 117370845 1 NSO2C13H13 ABC2D13E13 -37.89 5.2 -9.12 -0.68 0
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293040 117370847 1 NSO2C13H13 ABC2D13E13 -39.28 5.9 -9.39 -1.0 0
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293041 117370935 1 OSN3C12H13 ABC3D12E13 45.67 2.54 -8.38 -0.75 0
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293042 117370942 1 OSN3C12H13 ABC3D12E13 13.58 3.71 -8.57 -0.3 0
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293043 117371176 1 NO2C15H21 AB2C15D21 -50.62 2.62 -8.51 0.24 0
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293044 117371208 1 NO2C15H21 AB2C15D21 -74.71 2.83 -8.62 0.2 0
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293045 117371683 1 NOSC14H17 ABCD14E17 -27.78 3.31 -8.99 -0.69 0
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293046 117371915 1 NOC16H25 ABC16D25 -44.26 2.36 -9.01 0.19 0
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293047 117371953 1 NOC16H25 ABC16D25 -64.95 1.61 -8.71 0.34 0
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293048 117372293 1 ClFNO3C10H11 ABCD3E10F11 -119.98 4.72 -9.05 -0.46 0
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293049 117372359 1 ClNOF2C11H12 ABCD2E11F12 -116.11 3.22 -9.35 -0.77 0