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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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32101 4266060 1 SN2O5H18C21 AB2C5D18E21 -73.08 2.3 -8.3 -0.67 0
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32102 4266061 1 SO3F4N5H9C12 AB3C4D5E9F12 -172.09 5.71 -9.74 -1.96 0
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32103 4266069 1 BrN2O2C18H23 AB2C2D18E23 -38.1 4.93 -9.15 -0.37 0
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32104 4266070 1 ClN3O7H20C32 AB3C7D20E32 -68.23 6.24 -9.36 -2.2 0
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32105 4266071 1 ClN3O5H18C25 AB3C5D18E25 -105.41 2.08 -9.63 -1.82 0
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32106 4266073 1 FN3O3C22H26 AB3C3D22E26 -165.28 7.77 -8.76 -1.25 0
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32107 4266075 1 Cl2S2N3O3C17H19 A2B2C3D3E17F19 -81.15 7.72 -9.03 -1.14 0
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32108 4266089 1 SBr2O2N4H12C18 AB2C2D4E12F18 114.21 3.71 -9.54 -1.32 0
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32109 4266090 1 BrClON3H19C20 ABCD3E19F20 41.25 6.37 -8.61 -0.58 0
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32110 4266094 1 ClO2C21H29 AB2C21D29 -127.73 5.28 -9.97 -0.19 0
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32111 4266095 1 NO2C22H31 AB2C22D31 -107.54 5.54 -9.98 0.09 0
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32112 4266096 1 OCl2N7C20H25 AB2C7D20E25 24.53 5.96 -8.7 -0.92 0
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32113 4266097 1 SN4O4H14C20 AB4C4D14E20 56.2 8.32 -8.87 -1.65 0
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32114 4266098 1 FOSN3H16C22 ABCD3E16F22 39.83 1.1 -8.8 -0.98 0
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32115 4266115 1 O2N3C23H25 A2B3C23D25 -25.98 5.3 -8.5 -0.12 0
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32116 4266149 3 NOC7H7 ABC7D7 -5.95 9.07 -8.45 -0.82 0
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32117 4266150 1 ClON2C23H23 ABC2D23E23 3.87 4.93 -8.55 -0.41 0
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32118 4266152 1 FBr2N4O4H25C35 AB2C4D4E25F35 -63.85 2.82 -9.3 -0.83 0
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32119 4266154 1 NSO2Cl3H12C22 ABC2D3E12F22 -8.71 3.06 -9.1 -1.55 0
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32120 4266155 1 SO4N5C22H23 AB4C5D22E23 -89.2 2.32 -9.26 -0.87 0
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32121 4266156 1 Cl2O2N3C28H31 A2B2C3D28E31 -36.62 6.32 -8.31 -0.4 1
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32122 4266159 1 O2H19C24 A2B19C24 26.47 2.03 0.0 0.0 0
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32123 4266162 1 N3O3C12H13 A3B3C12D13 -54.51 4.67 -9.67 -0.99 0
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32124 4266168 1 BrN2O5H15C21 AB2C5D15E21 -103.99 3.59 -9.17 -1.59 0
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32125 4266207 3 NOSH7C8 ABCD7E8 8.3 7.56 -8.48 -1.24 0