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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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411175 135083986 1 BrP3C12H29 AB3C12D29 -106.2 5.14 0.0 0.0 0
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411176 135083987 1 OPH29C40 ABC29D40 108.14 4.15 -8.91 -0.4 0
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411177 135083988 2 OPH9C10 ABC9D10 44.25 2.83 -8.42 -0.35 0
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411178 135083989 1 PO3C11H21 AB3C11D21 -121.94 2.31 -9.05 0.39 0
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411179 135083990 1 PO3H13C15 AB3C13D15 -28.21 1.11 -9.17 -0.12 0
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411180 135083991 1 OPC26H37 ABC26D37 86.77 5.2 -7.45 -0.05 0
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411181 135083992 1 FeP2C28H40 AB2C28D40 54.81 17.13 -5.9 -1.54 0
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411182 135083993 1 P2C23H35 A2B23C35 11.23 2.61 0.0 0.0 0
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411183 135083994 1 NOSC3H5 ABCD3E5 -30.08 3.72 -9.23 -0.44 1
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411184 135083995 1 BrOSH8C12 ABCD8E12 25.61 2.98 0.0 0.0 1
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411185 135083996 1 BrOSH8C12 ABCD8E12 26.2 1.93 0.0 0.0 0
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411186 135083997 1 PO3C6H11 AB3C6D11 -90.4 2.18 -8.83 0.48 0
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411187 135083998 1 OSC6H10 ABC6D10 11.1 2.75 -8.2 0.48 0
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411188 135083999 1 NOPC25H26 ABCD25E26 24.69 3.61 -8.51 0.0 0
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411189 135084000 2 PC21H28 AB21C28 -29.23 0.45 -7.66 0.29 0
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411190 135084001 2 CrPO3C21H30 ABC3D21E30 -64.22 3.08 -6.27 0.11 0
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411191 135084004 1 ClN3O13H42C43 AB3C13D42E43 -278.74 6.62 -8.73 -1.5 0
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411192 135084005 1 SeH10C14 AB10C14 63.21 1.37 -8.37 -0.33 0
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411193 135084006 1 PO3C10H19 AB3C10D19 -126.91 2.46 -8.92 0.54 0
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411194 135084007 2 NH10C13 AB10C13 175.93 1.08 -7.67 -0.05 0
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411195 135084008 1 SeN3O3H9C11 AB3C3D9E11 16.91 10.51 -9.15 -1.5 0
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411196 135084009 1 SeCl2N2H10C15 AB2C2D10E15 74.04 4.13 -8.57 -0.87 0
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411197 135084010 1 MgN4O5C56H74 AB4C5D56E74 78.94 10.94 -7.22 -2.3 0
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411198 135084011 1 N4O5C56H76 A4B5C56D76 -163.31 6.78 -7.77 -1.89 0
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411199 135084012 2 NPO4C29H30 ABC4D29E30 -133.57 2.07 -8.6 -0.46 0
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411200 135084013 1 N4O14C25H42 A4B14C25D42 -589.21 9.54 -9.53 0.32 0
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411201 135084014 2 NO2C11H19 AB2C11D19 -198.96 0.81 -9.84 -1.13 0
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411202 135084015 1 N2O3C42H44 A2B3C42D44 -22.24 1.78 -7.93 0.1 0
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411203 135084016 1 ClSeN2O2C13H15 ABC2D2E13F15 -77.68 6.83 -8.77 -1.17 0
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411204 135084017 1 SeN2O2C13H14 AB2C2D13E14 -37.48 3.76 -8.57 -0.91 0
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411205 135084018 2 OP2C18H36 AB2C18D36 -251.14 1.27 -7.71 0.44 0
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411206 135084019 2 OP2F20C26 AB2C20D26 -1661.9 0.4 -9.6 -1.94 0
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411207 135084020 1 SeO2C4H6 AB2C4D6 66.23 7.02 -8.99 -2.81 0
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411208 135084021 1 TeSi2 AB2 -1.55 1.54 -7.3 -2.71 0
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411209 135084022 1 SeCl2N2C13H16 AB2C2D13E16 10.08 5.23 -8.27 -0.49 0
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411210 135084023 1 ClSeN2C13H15 ABC2D13E15 43.34 4.7 -8.33 -0.54 0
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411211 135084024 1 N3C5H5 A3B5C5 82.38 2.19 -9.82 -1.09 0
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411212 135084025 1 TeGe2H10 AB2C10 28.07 2.25 -8.51 1.52 0
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411213 135084026 1 TeSn2H4 AB2C4 53.47 6.44 -6.97 -2.14 0
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411214 135084027 1 CuSN3O4C37H39 ABC3D4E37F39 72.71 2.89 0.0 0.0 0
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411215 135084028 2 GaTeC21H29 ABC21D29 169.6 4.05 -5.78 -4.41 0
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411216 135084029 1 SeO2C6H10 AB2C6D10 -54.35 5.64 -8.84 -0.54 0
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411218 135084031 1 SeN3O5C9H13 AB3C5D9E13 -187.89 3.91 -9.04 -0.9 0
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411220 135084033 1 NO3C15H19 AB3C15D19 -126.32 2.72 -8.9 -0.55 1
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411221 135084034 1 NH6C9 AB6C9 124.56 1.7 0.0 0.0 0
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411222 135084035 1 OSeC4H4 ABC4D4 -4.99 0.4 -7.82 0.14 0
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411224 135084037 1 BrPO2F12H20C22 ABC2D12E20F22 -686.24 10.85 -9.3 -0.95 0
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411225 135084038 1 NO4C15H19 AB4C15D19 -167.11 3.18 -8.68 -0.67 0
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411226 135084039 1 NO4C16H21 AB4C16D21 -163.08 2.57 -8.53 -0.54 0
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411227 135084040 1 OTeC4H4 ABC4D4 -5.06 1.29 -7.68 0.04 0