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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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386866 134983186 1 NSO2C13H13 ABC2D13E13 39.3 6.35 -9.09 -1.39 0
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386867 134983188 1 O4C21H29 A4B21C29 -149.73 4.96 0.0 0.0 0
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386868 134983192 1 OC16H20 AB16C20 -15.09 4.14 -9.08 -0.66 0
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386869 134983193 1 BrF2O3H13C15 AB2C3D13E15 -161.6 6.5 -9.65 -1.71 0
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386870 134983199 1 NC11H17 AB11C17 21.98 3.89 -9.62 0.95 0
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386871 134983201 1 O4C21H28 A4B21C28 -137.48 0.21 -9.39 0.44 0
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386872 134983207 2 OH8C11 AB8C11 21.59 0.51 -8.76 -0.15 0
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386874 134983209 1 NH23C24 AB23C24 55.18 1.21 -8.7 0.32 0
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386875 134983212 1 OBr2H12C21 AB2C12D21 124.41 11.0 -8.66 -1.79 0
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386876 134983217 1 OC17H18 AB17C18 -3.3 1.22 -9.28 0.26 0
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386877 134983218 1 ClH15C18 AB15C18 63.07 1.87 -8.98 -0.79 0
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386878 134983228 16 CH AB 70.92 0.74 -8.3 -0.31 0
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386879 134983230 1 OH14C15 AB14C15 36.9 2.72 -8.03 -0.56 0
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386880 134983232 4 OC11H13 AB11C13 -88.52 3.31 -7.55 -0.54 0
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386881 134983237 8 C3H4 A3B4 94.45 0.91 -8.68 0.66 0
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386882 134983239 4 OC5H6 AB5C6 -153.13 1.85 -8.78 0.1 0
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386883 134983246 2 OC8H10 AB8C10 -77.04 6.92 -9.03 -0.7 0
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386885 134983252 1 NSO3C20H23 ABC3D20E23 -61.25 6.19 -8.82 -0.5 0
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386886 134983269 2 H12C13 A12B13 260.9 1.2 -6.16 -3.84 0
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386887 134983270 2 NaH9C12 AB9C12 40.23 4.27 -6.57 -0.26 0
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386888 134983271 2 H11C15 A11B15 261.18 0.33 -8.3 -0.91 0
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386889 134983272 2 O2H15C19 A2B15C19 88.72 5.86 -8.33 -1.43 0
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386890 134983276 1 OSiC39H54 ABC39D54 -67.99 2.53 -8.88 0.21 0
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386891 134983277 2 NH12C14 AB12C14 131.15 5.22 -7.79 0.01 0
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386892 134983279 2 O2C27H36 A2B27C36 -173.61 2.0 -8.48 0.4 0
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386893 134983281 4 OC12H15 AB12C15 69.82 0.47 -7.84 -0.91 0
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386894 134983283 1 O3C20H26 A3B20C26 -52.5 2.17 -9.03 0.38 0
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386895 134983284 2 SiO3C12H23 AB3C12D23 -385.8 1.42 -8.74 0.5 0
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386896 134983285 1 NOC23H33 ABC23D33 -28.18 3.33 -8.79 0.14 0
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386897 134983296 1 NC8H9 AB8C9 49.67 3.67 -9.41 0.03 0
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386898 134983297 1 SO4C19H28 AB4C19D28 -177.83 7.7 -8.35 -0.23 -1
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386899 134983305 1 FePO2H29C33 ABC2D29E33 55.28 3.75 -7.73 -0.34 0
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386900 134983316 1 SiO3C16H28 AB3C16D28 -167.9 4.19 -9.16 0.66 0
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386901 134983321 1 NC11H13 AB11C13 52.5 2.26 -9.66 -0.04 1
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386902 134983325 1 N2O2C29H31 A2B2C29D31 39.15 1.23 0.0 0.0 0
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386903 134983332 2 OC8H9 AB8C9 -67.78 2.74 -9.44 0.26 0
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386904 134983333 1 O3H14C17 A3B14C17 -52.43 1.42 -8.39 -0.84 0
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386905 134983334 1 NO3H17C22 AB3C17D22 32.55 8.0 -9.21 -1.42 0
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386906 134983335 1 NO3H19C23 AB3C19D23 23.11 7.61 -9.47 -1.2 0
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386907 134983337 1 NO5H29C30 AB5C29D30 -98.2 4.65 -8.54 -0.59 0
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386909 134983341 1 O4C15H18 A4B15C18 -146.42 5.02 -8.98 -0.83 0
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386910 134983343 1 O3H22C26 A3B22C26 -46.61 3.47 -9.1 -1.22 0
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386911 134983344 1 H24C25 A24B25 46.62 0.64 -8.38 0.24 0
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386912 134983346 1 ClO3C22H25 AB3C22D25 -28.88 6.63 -8.56 -1.01 0
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386913 134983347 1 BrClO3H14C17 ABC3D14E17 -68.21 3.8 -8.67 -0.67 0
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386914 134983348 1 NO6H17C18 AB6C17D18 -109.21 8.57 -8.86 -1.19 0
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386915 134983350 1 O3C15H16 A3B15C16 -77.24 2.91 -8.97 -0.41 0
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386916 134983359 1 ClH25C32 AB25C32 104.97 1.95 -8.78 -0.56 0
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386917 134983362 1 SiO2C23H30 AB2C23D30 -118.47 0.4 -8.54 0.38 0
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386918 134983363 1 SiO2C23H30 AB2C23D30 -117.13 3.01 -8.55 0.36 0
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386919 134983368 1 NSiO2H33C35 ABC2D33E35 -0.49 1.76 -7.92 -0.13 0
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386920 134983371 1 OH20C24 AB20C24 79.02 2.26 -8.31 -0.63 0
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386921 134983375 1 OSi2C24H38 AB2C24D38 -72.86 1.92 -8.75 0.04 0
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386922 134983376 1 NO5C17H23 AB5C17D23 -212.17 2.91 -9.4 -0.55 0
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386923 134983377 1 NO7C20H29 AB7C20D29 -284.25 4.96 -10.02 -0.23 0
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386924 134983379 1 SnC16H24 AB16C24 43.33 0.48 -9.28 0.47 0
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386925 134983381 1 OC10H18 AB10C18 -53.66 3.26 -9.43 0.61 0
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386926 134983383 2 NSO2C12H15 ABC2D12E15 -67.76 6.51 -9.4 -0.46 0
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386927 134983389 1 OSiC18H34 ABC18D34 -129.21 1.3 -8.72 0.59 0
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386928 134983392 1 O5C22H26 A5B22C26 -176.78 7.25 -8.64 -1.17 0
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386929 134983393 1 CoB2S2C41H55 AB2C2D41E55 -62.98 25.75 -10.91 -5.03 0
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386930 134983412 1 OB2C38H50 AB2C38D50 -70.06 2.88 -8.68 -0.12 0
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386931 134983417 1 NSO3C19H25 ABC3D19E25 -107.61 8.06 -8.88 -0.42 0
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386932 134983418 1 O6C17H20 A6B17C20 -233.83 4.39 -9.41 -0.37 0
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386933 134983419 1 O6C19H24 A6B19C24 -250.29 2.59 -9.43 -0.43 0
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386934 134983422 1 O5C22H32 A5B22C32 -178.99 2.34 -9.34 0.09 0
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386935 134983433 1 SiO3C15H30 AB3C15D30 -214.64 2.97 -8.7 -0.13 0
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386936 134983437 1 OC10H18 AB10C18 -49.21 1.78 -9.5 0.11 0
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386937 134983439 1 OC9H14 AB9C14 -16.91 2.09 -9.46 0.37 0
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386938 134983440 1 FePO2H27C28 ABC2D27E28 -5.38 5.99 -6.32 -0.06 -1
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386939 134983442 1 FeNO9H17C19 ABC9D17E19 -167.93 6.61 -8.47 -1.53 0
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386940 134983443 1 NO6C16H18 AB6C16D18 -133.64 7.64 0.0 0.0 -1
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386941 134983444 1 FeO7C25H26 AB7C25D26 -34.17 6.1 -6.39 -0.78 0
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386942 134983445 1 O4C22H27 A4B22C27 -103.4 5.94 0.0 0.0 0
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386943 134983451 1 FeO4H10C11 AB4C10D11 26.72 4.28 -7.32 -0.35 0
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386944 134983457 1 FeO3C13H16 AB3C13D16 42.9 2.56 -6.92 0.79 0
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386945 134983458 2 O2C11H20 A2B11C20 -214.37 2.05 -9.24 1.66 0
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386946 134983470 1 NO2C21H27 AB2C21D27 -31.87 2.35 -9.55 -0.22 0
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386947 134983471 2 SiC18H21 AB18C21 45.76 0.53 -8.91 0.05 0
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386948 134983472 1 SiC24H29 AB24C29 77.29 1.0 0.0 0.0 0
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386949 134983473 1 C17H26 A17B26 28.59 0.41 -8.52 0.21 0
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386950 134983479 2 ClOC9H9 ABC9D9 -58.66 5.0 -9.18 -0.17 0
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386951 134983481 1 OSC17H18 ABC17D18 0.76 1.48 -8.09 0.4 0
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386952 134983482 1 ClO4H17C18 AB4C17D18 -110.45 4.59 -8.61 -0.56 0
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386953 134983488 2 OC17H25 AB17C25 -137.32 0.17 -7.48 -0.67 0
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386954 134983490 1 ClNOC19H20 ABCD19E20 -2.96 4.34 -8.29 0.06 0
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386955 134983493 1 NOC18H21 ABC18D21 2.83 5.03 -8.18 0.26 0
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386956 134983495 1 SH18C21 AB18C21 103.51 1.71 -8.51 -0.75 0
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386957 134983506 1 CoN2O7H25C27 AB2C7D25E27 -159.9 30.43 -10.12 -6.48 0
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386958 134983507 1 O5C31H32 A5B31C32 -165.71 4.47 -8.61 -0.06 0
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386959 134983511 1 FeNOC23H23 ABCD23E23 153.4 40.67 -5.79 -1.89 0
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386960 134983513 1 ZnN4O4H48C58 AB4C4D48E58 234.58 9.78 -8.75 -1.99 0
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386961 134983516 1 IC16H27 AB16C27 -23.96 2.55 -8.87 -0.64 0
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386962 134983520 1 BOSi2C25H43 ABC2D25E43 -143.24 1.09 -8.79 0.53 0
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386963 134983521 1 SiO3C22H30 AB3C22D30 -69.13 2.85 -7.88 -0.35 0
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386965 134983532 1 NO2C12H15 AB2C12D15 9.06 4.3 -9.51 -0.52 0
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386966 134983535 1 SO6C18H26 AB6C18D26 -245.8 5.03 -9.82 -0.46 0
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386967 134983537 1 OSiC19H36 ABC19D36 -92.89 1.86 -8.7 1.07 0
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386968 134983539 1 Si2O7C58H98 A2B7C58D98 -455.09 3.52 -8.59 -0.52 0
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386969 134983541 1 OC15H20 AB15C20 -11.43 2.49 -8.66 0.12 0