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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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213120 81062933 1 N2O2C17H28 A2B2C17D28 -46.05 4.13 -8.97 0.54 0
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213121 81062937 1 N2O3C10H22 A2B3C10D22 -147.15 4.08 -9.67 0.64 0
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213122 81062942 1 N2O2C15H34 A2B2C15D34 -138.24 2.15 -8.72 2.09 0
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213123 81062943 2 NOC6H14 ABC6D14 -116.92 2.75 -8.78 2.01 0
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213124 81062944 2 NOC6H13 ABC6D13 -90.96 4.02 -8.98 1.89 0
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213125 81062945 1 N2O2C15H32 A2B2C15D32 -129.83 2.88 -8.85 1.93 0
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213126 81062946 1 N2O2C13H28 A2B2C13D28 -120.26 1.25 -8.59 2.14 0
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213127 81062947 1 ClFNSO3C13H19 ABCDE3F13G19 -174.31 3.25 -9.76 -0.94 0
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213128 81062948 1 ClNSO3C13H20 ABCD3E13F20 -128.78 4.17 -9.56 -0.82 0
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213129 81062949 1 ClNS2O3C10H16 ABC2D3E10F16 -109.55 5.92 -9.57 -1.08 0
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213130 81062950 1 ClNSO3C13H20 ABCD3E13F20 -127.48 4.83 -9.6 -0.66 0
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213131 81062964 1 N2O4C15H24 A2B4C15D24 -186.03 2.36 -9.44 0.48 0
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213132 81062966 1 N4O5C10H14 A4B5C10D14 -98.56 8.16 -10.6 -1.23 0
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213133 81062970 1 O3N4C10H16 A3B4C10D16 -97.1 6.09 -10.32 -0.17 0
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213134 81062978 1 NO3C16H17 AB3C16D17 -102.95 2.61 -9.14 -0.82 0
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213135 81062985 1 SN2O5C11H20 AB2C5D11E20 -234.16 6.0 -9.77 0.04 0
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213136 81062986 1 NO4C14H19 AB4C14D19 -163.45 6.16 -9.94 -0.24 0
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213137 81062987 2 NO2C7H12 AB2C7D12 -213.88 6.11 -9.91 0.55 0
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213138 81062988 1 FNO3C13H16 ABC3D13E16 -176.46 4.61 -9.75 -0.33 0
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213139 81062989 1 NO4C13H17 AB4C13D17 -165.69 6.15 -9.92 -0.24 0
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213140 81062990 1 NO4C14H17 AB4C14D17 -159.29 3.72 -9.14 -0.06 0
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213141 81062991 1 N3O3C14H23 A3B3C14D23 -133.48 1.14 -8.96 0.46 0
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213142 81062992 1 NO3C14H19 AB3C14D19 -139.17 4.3 -9.5 0.08 0
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213143 81062993 1 ClN2O3C13H19 AB2C3D13E19 -144.29 4.46 -9.06 -0.06 0
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213144 81063003 1 N4O5C12H18 A4B5C12D18 -130.26 7.88 -10.49 -1.12 0