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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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150181 53789868 1 SN4O7C25H28 AB4C7D25E28 -272.46 8.02 -8.74 -0.96 0
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150182 53789869 1 OF3H9C10 AB3C9D10 -148.65 2.66 -9.33 -0.33 0
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150183 53789870 2 O4H8C9 A4B8C9 -259.16 4.51 -8.82 -1.06 0
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150184 53789871 1 NO3C21H27 AB3C21D27 -136.8 4.87 -9.3 -0.22 0
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150185 53789872 1 O6C31H40 A6B31C40 -243.87 1.97 -8.91 -0.76 0
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150186 53789873 1 NS2O7C32H37 AB2C7D32E37 -247.96 5.8 -8.91 -0.95 0
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150187 53789874 1 N4O4C23H24 A4B4C23D24 -97.27 4.09 -9.49 -1.16 0
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150188 53789875 1 S2O5C30H34 A2B5C30D34 -176.28 5.16 -8.73 -0.59 0
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150189 53789876 1 N2O2C19H20 A2B2C19D20 -18.22 2.69 -9.43 -0.89 0
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150190 53789877 1 N2O2C19H20 A2B2C19D20 -18.42 3.66 -9.41 -0.8 0
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150191 53789878 1 NO2H15C18 AB2C15D18 -21.31 4.05 -8.76 -0.72 0
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150192 53789879 2 O2C5H6 A2B5C6 -164.25 3.18 -9.4 -0.9 0
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150193 53789880 1 PSiO3C8H21 ABC3D8E21 -239.97 2.52 -9.64 1.2 0
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150194 53789881 1 ClSN2O3C24H29 ABC2D3E24F29 -96.83 4.05 -8.63 0.01 0
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150195 53789882 1 OC29H36 AB29C36 15.61 1.75 -8.53 -0.15 0
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150196 53789883 1 ClINO4H11C12 ABCD4E11F12 -143.9 3.43 -9.51 -1.5 0
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150197 53789884 1 FPO4C10H20 ABC4D10E20 -300.01 2.78 -10.27 0.06 0
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150198 53789885 1 NSO5C23H31 ABC5D23E31 -182.02 4.05 -9.1 -0.72 0
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150199 53789886 1 NOC7H9 ABC7D9 -13.92 4.6 -9.55 0.36 0
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150200 53789887 1 OSN3C22H25 ABC3D22E25 29.17 1.69 -9.32 -0.48 0
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150201 53789888 1 NSO4C13H19 ABC4D13E19 -183.67 4.63 -9.49 -0.16 0
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150202 53789889 1 NOSC7H9 ABCD7E9 2.65 4.37 -8.66 -0.64 0
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150203 53789890 2 OC16H27 AB16C27 -149.01 2.87 -9.18 -0.36 0
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150204 53789891 1 N6S6O23H32C49 A6B6C23D32E49 -645.11 5.27 -9.44 -2.73 0
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150205 53789892 1 N3O7C19H25 A3B7C19D25 -291.0 4.32 -8.94 -1.23 0
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150206 53789893 1 FNH10C12 ABC10D12 20.54 1.06 -9.27 -0.68 0
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150207 53789894 1 ON4C15H22 AB4C15D22 12.34 4.68 -8.44 0.12 0
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150208 53789895 1 ClO2N5H14C15 AB2C5D14E15 30.07 3.21 -9.44 -1.15 0
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150209 53789896 1 SN6O8C31H38 AB6C8D31E38 -263.92 6.88 -9.12 -1.13 0
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150210 53789897 1 NO3C13H13 AB3C13D13 -73.65 5.45 -8.69 -0.49 0
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150211 53789898 1 OC9H12 AB9C12 -16.85 3.82 -10.01 -0.25 0
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150212 53789899 1 O2N7C30H37 A2B7C30D37 22.88 2.74 -8.46 -1.01 0
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150213 53789900 1 ClO2C11H17 AB2C11D17 -96.59 1.29 -10.16 0.12 0
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150214 53789901 1 N3C23H31 A3B23C31 46.48 0.98 -8.46 0.24 0
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150215 53789902 1 FSO2H17C20 ABC2D17E20 -67.34 8.88 -8.7 -1.24 0
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150216 53789903 1 SN3O4C15H21 AB3C4D15E21 -127.66 4.51 -8.94 -0.59 0
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150217 53789904 1 NOSCl2H13C15 ABCD2E13F15 -5.21 4.73 -8.91 -0.84 0
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150218 53789905 1 NC13H15 AB13C15 20.87 2.09 -8.8 -0.01 0
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150219 53789906 2 OC5H8 AB5C8 -80.05 1.8 -9.56 -0.33 0
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150220 53789907 1 S3N4O6H16C17 A3B4C6D16E17 -128.15 5.3 -8.96 -1.17 0
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150221 53789908 2 O2H6C7 A2B6C7 -115.69 0.96 -8.03 -0.64 0
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150222 53789909 1 NOC14H25 ABC14D25 -68.74 2.26 -9.45 1.44 0
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150223 53789910 1 ClO3H11C13 AB3C11D13 -99.09 6.02 -8.84 -1.13 0
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150224 53789911 1 ClO2N4C16H19 AB2C4D16E19 -19.12 1.02 -8.96 -1.23 0
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150225 53789912 1 PO3C4H9 AB3C4D9 -166.82 3.58 -10.27 0.2 0
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150226 53789913 1 O2N3C17H19 A2B3C17D19 31.32 1.98 -8.78 -0.88 1
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150227 53789914 1 NOC20H44 ABC20D44 -86.72 3.18 0.0 0.0 0
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150228 53789915 1 ON2H10C18 AB2C10D18 172.29 3.64 -8.93 -1.16 0
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150230 53789917 1 N2O3H13C14 A2B3C13D14 -37.15 13.66 0.0 0.0 0
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150231 53789918 1 N2O2C19H20 A2B2C19D20 -16.82 4.04 -8.04 -0.33 0
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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