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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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25092 618943 1 O2C19H30 A2B19C30 -116.33 1.57 -9.0 0.3 0
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25094 618949 1 NO2H9C16 AB2C9D16 39.82 4.18 -9.1 -1.6 0
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25095 618951 1 BrSN2O2H9C11 ABC2D2E9F11 -15.23 5.5 -9.18 -0.99 0
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25096 618952 2 NOH9C12 ABC9D12 53.43 5.42 -9.44 -0.73 -24
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25097 618953 2 ZrC15H18 AB15C18 225.47 2.72 -5.68 -1.15 0
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25098 618954 1 ON4C20H20 AB4C20D20 91.35 3.72 -8.7 -1.72 0
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25099 618955 1 OSN3C12H13 ABC3D12E13 28.83 4.61 -7.94 -0.13 0
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25100 618956 2 NO2C10H11 AB2C10D11 -129.96 0.24 -9.07 0.02 0
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25101 618957 1 OSiC24H44 ABC24D44 -175.88 1.56 -9.59 1.54 0
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25102 618959 1 O2N5C20H21 A2B5C20D21 39.77 5.24 -8.94 -1.01 0
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25103 618961 1 NOSC14H17 ABCD14E17 -19.48 3.07 -9.27 -0.28 0
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25104 618968 1 O4C25H32 A4B25C32 -171.99 0.35 -9.0 0.05 0
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25105 618970 1 N2O6H12C13 A2B6C12D13 -129.09 8.5 -10.5 -1.58 0
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25106 618979 1 N3O3C12H13 A3B3C12D13 0.11 8.59 -8.75 -1.85 0
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25107 618980 1 ClN3O3C19H20 AB3C3D19E20 -18.66 10.72 -8.82 -1.08 0
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25108 618983 1 O2N5C11H13 A2B5C11D13 8.97 4.55 -8.34 -0.32 0
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25109 618985 1 N3O3C15H19 A3B3C15D19 -82.45 3.36 -9.59 -1.26 0
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25110 618989 1 NO4C13H13 AB4C13D13 -126.41 3.67 -9.2 -0.84 0
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25111 618992 1 NO4C13H13 AB4C13D13 -124.25 4.8 -9.17 -1.14 0
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25112 618993 1 SO2N3H9C11 AB2C3D9E11 60.82 11.02 -8.9 -1.32 0
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25113 618994 1 O4C31H50 A4B31C50 -238.56 2.26 -9.12 0.97 0
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25114 618996 1 FNOSH10C13 ABCDE10F13 -25.52 2.76 -9.33 -1.07 0
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25115 618997 1 NO3C14H17 AB3C14D17 -118.32 6.98 -8.45 -0.26 0
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25116 619001 1 NO4C13H13 AB4C13D13 -141.23 7.25 -8.59 -1.08 0
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25117 619004 1 NO3C14H17 AB3C14D17 -120.92 3.46 -8.4 -0.22 0
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25118 619020 1 N3H13C16 A3B13C16 87.64 2.57 -9.22 -0.72 0
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25119 619094 2 NO2C6H6 AB2C6D6 -147.21 1.59 -10.7 -0.54 0
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25120 619099 2 NO3C11H14 AB3C11D14 -224.71 4.36 -8.54 -1.12 0
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25121 619101 1 OSN2C20H30 ABC2D20E30 -48.74 5.49 -8.92 -0.62 0
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25122 619102 1 O3C15H20 A3B15C20 -110.34 1.14 -8.41 0.17 0
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25123 619184 1 ON2H12C16 AB2C12D16 51.74 1.27 -9.11 -0.63 0
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25124 619227 2 ClNH3C6 ABC3D6 72.48 0.01 -9.28 -1.87 0
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25125 619231 2 ClNH3C6 ABC3D6 69.87 1.13 -9.41 -1.91 0
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25126 619232 2 ClNH3C6 ABC3D6 72.56 2.2 -9.28 -1.86 0
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25127 619238 1 ClNSO3H10C15 ABCD3E10F15 -65.92 2.31 -8.85 -1.7 0
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25128 619283 1 SO2N3C11H11 AB2C3D11E11 -40.61 3.52 -8.86 -1.27 0
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25129 619284 1 NO4H17C20 AB4C17D20 -103.16 5.38 -9.23 -1.65 0
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25130 619291 1 ON4C20H22 AB4C20D22 67.54 4.37 -8.64 -1.64 0
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25131 619391 1 BrN2O2F4H9C13 AB2C2D4E9F13 -232.99 5.59 -9.22 -1.41 0
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25132 619392 1 ClNOSH8C12 ABCDE8F12 -5.8 2.25 -7.87 -0.63 0
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25133 619393 1 NCl2H9C13 AB2C9D13 39.6 1.9 -8.46 -1.07 0
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25134 619396 1 ClNOSH8C12 ABCDE8F12 -2.4 1.27 -7.85 -0.58 0
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25135 619398 1 O3C20H32 A3B20C32 -179.85 6.41 -9.46 0.06 0
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25136 619404 1 O3H14C18 A3B14C18 -42.27 2.52 -8.97 -1.12 0
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25137 619410 2 C11H14 A11B14 -35.11 0.13 -8.42 0.93 0
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25138 619450 1 ON4H10C14 AB4C10D14 74.7 5.38 -8.72 -0.98 0
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25139 619469 1 ON3C19H21 AB3C19D21 25.45 7.82 -9.09 -0.08 0
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25140 619473 1 ClON3H4F6C9 ABC3D4E6F9 -313.21 3.2 -9.76 -1.67 0
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25141 619486 1 ClN2O2H11C12 AB2C2D11E12 -29.79 1.47 -9.22 -0.79 0
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25142 619508 1 SN2O3H10C11 AB2C3D10E11 -34.28 5.2 -9.65 -1.08 0