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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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66101 46491119 1 N3O3C16H23 A3B3C16D23 -121.97 5.04 -8.62 -0.1 0
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66102 46491121 1 ClO2N6C20H21 AB2C6D20E21 19.6 7.17 -8.82 -0.6 0
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66103 46491124 1 O2N3C17H19 A2B3C17D19 -51.52 5.19 -8.93 -0.24 0
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66104 46491127 1 ClN2O2C23H27 AB2C2D23E27 -83.26 4.75 -9.31 -0.35 0
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66105 46493478 1 NSO5C22H27 ABC5D22E27 -164.49 5.83 -8.52 -0.71 0
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66106 46493480 1 NSO3C22H27 ABC3D22E27 -84.89 5.4 -8.57 -0.13 0
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66107 46493481 1 ON5C16H19 AB5C16D19 36.93 3.6 -8.89 -0.1 0
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66108 46493487 1 SO2N3C26H27 AB2C3D26E27 -24.02 7.9 -9.02 -0.75 0
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66109 46493488 1 SN3O5C23H23 AB3C5D23E23 -143.38 7.04 -8.13 -0.9 0
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66110 46493490 1 BrSN3O3C19H20 ABC3D3E19F20 -58.64 4.29 -8.44 -0.64 0
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66111 46493514 1 BrO2N4C24H27 AB2C4D24E27 -5.2 1.99 -9.02 -0.83 0
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66112 46493530 1 BrN2O4C19H23 AB2C4D19E23 -121.07 4.44 -9.22 -1.14 0
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66113 46493531 1 BrN2O3C22H27 AB2C3D22E27 -105.29 2.92 -8.99 -0.91 0
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66114 46493541 1 OF3N5C22H22 AB3C5D22E22 -108.49 5.73 -8.97 -0.74 0
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66115 46493549 1 ON3C24H33 AB3C24D33 -8.89 4.96 -8.71 -0.06 0
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66116 46493553 1 OS2N3H17C18 AB2C3D17E18 46.91 3.64 -8.48 -1.11 0
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66117 46493556 1 O2N3C30H31 A2B3C30D31 10.37 4.34 -8.81 -0.69 0
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66118 46493567 1 ClN3O3C22H24 AB3C3D22E24 -76.03 3.52 -8.87 -0.88 0
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66119 46493568 2 ON2C11H14 AB2C11D14 -31.29 4.4 -8.87 -0.47 0
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66120 46493569 1 SO2F3N3C23H24 AB2C3D3E23F24 -208.57 0.48 -8.97 -1.38 0
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66121 46493574 1 ClFN2O2S2H16C20 ABC2D2E2F16G20 -76.35 9.29 -8.38 -1.52 0
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66122 46499879 1 ON4H22C23 AB4C22D23 63.61 10.1 -8.74 -1.12 0
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66123 46499880 1 BrSN4O4C19H19 ABC4D4E19F19 -54.03 7.05 -8.66 -1.73 0
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66124 46499882 1 NSO3C24H25 ABC3D24E25 -58.29 4.81 -8.5 -0.3 0
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66125 46499883 1 FO3N4H21C25 AB3C4D21E25 -28.61 5.3 -8.15 -0.67 0
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66126 46499884 1 O3N4H18C19 A3B4C18D19 0.99 5.77 -8.7 -0.97 0
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66127 46499890 1 FNO3H14C18 ABC3D14E18 -51.08 7.08 -9.49 -1.16 0
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66128 46499891 1 ClNO3H14C18 ABC3D14E18 -13.74 8.13 -9.43 -0.99 0
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66129 46499893 1 FNO3H14C18 ABC3D14E18 -52.9 8.4 -9.48 -1.29 0
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66130 46499904 1 NO4H19C20 AB4C19D20 -51.0 8.2 -8.88 -1.28 0
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66131 46499908 1 BrFNO4H17C20 ABCD4E17F20 -90.94 7.74 -9.07 -1.43 0
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66132 46499913 1 BrNO4H18C20 ABC4D18E20 -46.22 6.6 -9.03 -1.35 0
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66133 46499918 1 NO3C16H19 AB3C16D19 -54.19 8.9 -9.35 -1.22 0
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66134 46499928 1 BrON4H11C17 ABC4D11E17 64.59 2.71 -8.76 -1.33 0
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66135 46499929 1 ClNF3O3H7C16 ABC3D3E7F16 -209.45 4.93 -9.93 -2.25 0
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66136 46499931 1 N2O2F3C16H17 A2B2C3D16E17 -202.79 5.26 -9.66 -0.57 0
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66137 46499933 1 BrN2O2F3C16H16 AB2C2D3E16F16 -200.04 6.38 -9.8 -0.85 0
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66138 46499946 2 N2O3C11H11 A2B3C11D11 -188.98 6.05 -9.8 -1.62 0
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66139 46499949 1 ClSN2O3H15C19 ABC2D3E15F19 -49.01 2.86 -9.59 -1.29 1
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66140 46499957 1 NC12H20 AB12C20 65.47 1.62 0.0 0.0 1
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66141 46499959 1 NOC19H28 ABC19D28 29.85 3.6 0.0 0.0 1
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66142 46499960 1 ClNOC13H15 ABCD13E15 56.06 13.28 0.0 0.0 0
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66143 46499963 1 FS2O3N4H19C20 AB2C3D4E19F20 -73.79 10.33 -8.8 -1.15 0
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66144 46499967 1 FN2O2C29H33 AB2C2D29E33 -61.26 3.39 -8.36 -0.42 0
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66145 46499970 1 N2F3O5H21C23 A2B3C5D21E23 -266.05 10.56 -8.88 -1.98 0
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66146 46499975 1 ClSN3O5H16C17 ABC3D5E16F17 -51.0 4.29 -9.41 -1.89 0
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66147 46499978 1 NSO3H13C17 ABC3D13E17 -29.78 3.85 -8.64 -1.5 0
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66148 46499988 1 NO3H17C19 AB3C17D19 -56.9 6.08 -8.76 -0.88 0
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66149 46499995 1 N2O4C21H22 A2B4C21D22 -127.46 4.93 -9.39 -0.78 0
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66150 46500004 1 N2O5C24H28 A2B5C24D28 -178.72 9.57 -9.16 -0.67 0