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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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252950 103115108 1 O3N6C12H16 A3B6C12D16 -42.25 9.18 -9.66 -0.87 0
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252951 103115115 1 O3N7C11H11 A3B7C11D11 24.16 8.01 -9.77 -1.19 0
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252952 103115121 1 SO2N6H10C11 AB2C6D10E11 53.41 4.43 -9.64 -1.07 0
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252953 103115127 1 O2N8C11H12 A2B8C11D12 64.95 2.76 -9.77 -1.04 0
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252954 103115147 1 O3N5C12H17 A3B5C12D17 -60.57 6.95 -9.44 -0.71 0
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252955 103115150 1 O3N5C13H19 A3B5C13D19 -58.85 4.4 -9.65 -0.84 0
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252956 103115152 1 O3N5C11H15 A3B5C11D15 -50.47 9.23 -9.59 -0.97 0
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252957 103115163 1 O2N5C12H17 A2B5C12D17 -11.99 5.6 -9.6 -0.77 0
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252958 103115168 1 O3N5C13H19 A3B5C13D19 -60.39 4.68 -9.58 -0.81 0
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252959 103115169 1 O2N5C10H13 A2B5C10D13 -2.99 5.6 -9.64 -0.79 0
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252960 103115171 1 O3N5C12H15 A3B5C12D15 -41.8 11.16 -9.65 -0.9 0
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252961 103115172 1 O2N5C11H15 A2B5C11D15 -3.47 10.26 -9.65 -0.83 0
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252962 103115178 1 SO2N5H11C12 AB2C5D11E12 43.95 5.11 -9.59 -0.89 0
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252963 103115184 1 O2N5C14H19 A2B5C14D19 -13.34 5.69 -9.58 -0.79 0
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252964 103115200 1 O3N6C10H12 A3B6C10D12 -29.54 8.35 -9.68 -0.96 0
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252965 103115205 1 SO2N5C13H13 AB2C5D13E13 39.38 4.82 -9.11 -0.9 0
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252966 103115226 1 O4N5C12H17 A4B5C12D17 -86.4 3.29 -9.76 -0.99 0
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252967 103115231 1 SO2N5C12H17 AB2C5D12E17 -1.71 4.18 -8.9 -0.8 0
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252968 103115238 1 O2N5C14H21 A2B5C14D21 -11.18 4.67 -9.45 -0.66 0
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252969 103115243 1 O3N5C13H19 A3B5C13D19 -38.31 4.68 -9.48 -0.57 0
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252970 103115252 1 SO2N6C12H12 AB2C6D12E12 58.13 7.28 -9.48 -1.1 0
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252971 103115259 1 O3N6C12H16 A3B6C12D16 -33.69 8.12 -9.29 -0.65 0
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252972 103115260 1 O2N5C14H21 A2B5C14D21 -9.53 7.55 -9.45 -0.64 0
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252973 103115261 1 O3N5C13H19 A3B5C13D19 -43.33 8.01 -9.46 -0.85 0
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252974 103115262 1 O2N5C10H13 A2B5C10D13 8.43 4.67 -9.49 -0.64 0