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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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150232 53789919 1 NO2C10H19 AB2C10D19 -124.54 2.53 -9.72 0.7 0
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150233 53789920 1 SC17H24 AB17C24 6.1 1.6 -8.4 0.1 0
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150234 53789921 1 NO2C16H19 AB2C16D19 -60.35 3.43 -8.92 0.09 1
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150235 53789922 1 OPN2S2C8H18 ABC2D2E8F18 -81.59 5.06 0.0 0.0 0
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150236 53789923 1 OC22H24 AB22C24 17.56 1.47 -8.37 0.14 0
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150237 53789924 1 Cl2S2O5C20H24 A2B2C5D20E24 -220.26 4.92 -9.03 -0.46 0
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150238 53789925 1 ClO2N3C20H30 AB2C3D20E30 -106.55 7.1 -9.36 -0.24 1
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150239 53789926 1 NC30H56 AB30C56 -40.43 1.42 0.0 0.0 0
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150240 53789927 1 NO2H11C12 AB2C11D12 -34.95 5.76 -8.88 -1.52 0
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150241 53789928 1 S2N3O5C9H17 A2B3C5D9E17 -227.39 12.33 -9.26 -1.02 0
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150242 53789929 1 C39H64 A39B64 -89.17 1.0 -9.08 0.34 0
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150243 53789930 1 ClNO2C14H14 ABC2D14E14 -76.7 5.9 -8.91 -0.88 0
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150244 53789931 1 NSO3C8H11 ABC3D8E11 -89.8 2.53 -8.85 -0.74 0
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150245 53789932 2 PH18C20 AB18C20 119.98 1.95 -8.89 -0.02 0
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150246 53789933 1 O2C25H26 A2B25C26 -9.58 1.55 -8.69 0.18 0
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150247 53789935 1 BrOH11C12 ABC11D12 -8.33 4.11 -9.64 -0.99 0
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150248 53789936 1 ON2C6H14 AB2C6D14 -50.46 1.87 -9.39 2.03 0
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150249 53789937 3 OC2H4 AB2C4 -107.61 1.5 -10.32 1.19 0
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150250 53789938 1 Si5O8C18H40 A5B8C18D40 -502.97 4.07 -7.77 -1.06 0
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150251 53789939 1 ON4C12H16 AB4C12D16 22.58 6.29 -8.8 -0.59 0
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150252 53789940 1 IO2C12H15 AB2C12D15 -79.41 2.05 -9.2 -0.79 0
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150253 53789941 3 OC10H12 AB10C12 -58.5 2.46 -8.01 -0.3 0
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150254 53789942 1 NO5C14H17 AB5C14D17 -191.4 3.63 -9.15 0.05 0
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150255 53789943 1 SiF2C15H20 AB2C15D20 -90.54 1.62 -9.15 -0.45 0
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150256 53789944 1 O2C15H24 A2B15C24 -103.21 2.98 -8.55 0.5 0
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150257 53789945 1 N2S2O3C4H6 A2B2C3D4E6 -67.36 5.31 -9.92 -1.09 0
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150258 53789946 1 NSCl2F3O4C24H28 ABC2D3E4F24G28 -266.74 6.16 -8.89 -1.21 0
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150259 53789947 5 CHN ABC 105.51 5.39 -9.58 -0.82 0
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150260 53789948 1 SN2O7C22H34 AB2C7D22E34 -314.93 7.44 -9.15 -0.59 0
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150261 53789949 1 NO3C22H35 AB3C22D35 -156.95 4.99 -9.07 -0.11 0
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150262 53789950 6 OC2H2 AB2C2 -243.02 5.95 -10.88 -1.92 0
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150263 53789951 2 NO2C14H20 AB2C14D20 -147.81 3.47 -8.7 -0.46 0
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150264 53789952 1 N7O9C34H43 A7B9C34D43 -331.76 10.46 -9.33 -1.53 0
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150265 53789953 2 OC6H7 AB6C7 -83.59 5.68 -9.32 0.13 0
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150266 53789954 1 SN3O3C10H13 AB3C3D10E13 -84.86 8.61 -8.94 -0.89 0
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150267 53789955 1 NO4C24H27 AB4C24D27 -143.38 4.51 -8.86 -0.69 0
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150268 53789956 1 F3N3O8H22C27 A3B3C8D22E27 -336.46 8.09 -10.49 -1.72 0
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150269 53789957 1 N3O4C32H33 A3B4C32D33 -51.71 2.01 -8.6 -1.16 0
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150270 53789958 1 S2N8O9H28C30 A2B8C9D28E30 -238.16 11.51 -9.31 -1.2 0
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150271 53789959 1 O4N5H23C24 A4B5C23D24 -83.03 8.65 -8.88 -0.36 0
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150272 53789960 2 C9H16 A9B16 -77.22 0.03 -10.02 3.73 0
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150273 53789961 1 N3O5C11H21 A3B5C11D21 -227.79 7.62 -9.93 -0.18 0
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150274 53789962 1 NOC8H13 ABC8D13 -15.35 4.89 -9.85 0.71 0
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150275 53789963 1 N2O3C14H22 A2B3C14D22 -126.82 3.48 -8.87 -0.14 0
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150276 53789964 1 ClO3N4C30H33 AB3C4D30E33 -93.89 5.47 -9.2 -0.37 0
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150277 53789965 1 SO4C20H20 AB4C20D20 -68.68 7.0 -8.54 -0.4 0
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150278 53789966 1 SN4O9H10C16 AB4C9D10E16 -106.14 6.03 -9.65 -2.55 0
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150279 53789967 1 O3C19H38 A3B19C38 -217.76 2.92 -10.28 0.7 0
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150280 53789968 1 OC14H22 AB14C22 -63.51 1.6 -9.15 0.23 0
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150281 53789969 1 NOS3C11H13 ABC3D11E13 21.61 2.75 -8.57 -1.29 0