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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
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252975 103115263 1 O3N5C12H17 A3B5C12D17 -40.84 7.14 -9.44 -0.82 0
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252976 103115264 1 O2N5C13H19 A2B5C13D19 -7.13 4.71 -9.44 -0.64 0
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252977 103115265 1 O3N5C13H19 A3B5C13D19 -40.87 5.72 -9.54 -0.78 0
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252978 103115266 1 O2N6C11H16 A2B6C11D16 13.94 6.01 -9.45 -0.83 0
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252979 103115272 1 O3N5C12H17 A3B5C12D17 -49.21 3.4 -9.32 -0.46 0
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252980 103115283 1 O2N5C12H17 A2B5C12D17 -1.25 4.8 -9.46 -0.66 0
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252981 103115289 1 O2N5C13H17 A2B5C13D17 16.36 7.7 -9.49 -0.63 0
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252982 103115297 1 O3N7C11H11 A3B7C11D11 55.81 7.26 -9.63 -1.2 0
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252983 103115299 1 F2O2N5C10H11 A2B2C5D10E11 -83.29 5.55 -9.6 -1.03 0
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252984 103115302 1 O3N6C12H16 A3B6C12D16 -35.82 1.92 -9.54 -0.72 0
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252985 103115311 1 O3N5C12H17 A3B5C12D17 -32.9 4.6 -9.57 -0.72 0
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252986 103115322 1 O3N5C13H19 A3B5C13D19 -42.55 4.07 -9.35 -0.48 0
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252987 103115325 1 O3N6C11H14 A3B6C11D14 -34.36 2.19 -9.56 -0.79 0
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252988 103115329 1 O3N5C13H19 A3B5C13D19 -49.56 3.02 -9.49 -0.62 0
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252989 103115334 1 O3N5C13H19 A3B5C13D19 -57.82 3.06 -9.42 -0.56 0
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252990 103115336 1 O2N5C13H19 A2B5C13D19 -9.59 7.91 -9.46 -0.53 0
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252991 103115338 1 O2N5C14H21 A2B5C14D21 -14.19 7.52 -9.45 -0.49 0
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252992 103115346 1 SO2N5C13H19 AB2C5D13E19 1.38 7.05 -9.15 -0.48 0
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252993 103115347 1 O3N5C13H19 A3B5C13D19 -49.56 4.08 -9.55 -0.63 0
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252994 103115358 1 O3N5C13H19 A3B5C13D19 -54.01 5.12 -9.53 -0.64 0
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252995 103115359 1 SO3N5C12H15 AB3C5D12E15 -62.63 8.84 -9.56 -1.18 0
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252996 103115360 1 SO3N5C12H15 AB3C5D12E15 -64.75 6.04 -9.6 -1.23 0
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252997 103115361 1 SO3N4C12H16 AB3C4D12E16 -69.85 6.42 -9.64 -1.23 0
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252998 103115367 1 SO3N5C12H15 AB3C5D12E15 -58.88 5.23 -9.64 -1.27 0
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252999 103115378 1 O2S2N5H11C12 A2B2C5D11E12 31.17 6.71 -9.53 -1.21 0