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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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53227 14709822 1 NO4H25C26 AB4C25D26 -79.8 8.08 -8.95 -1.04 0
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53228 14709827 1 NO5C30H39 AB5C30D39 -188.36 8.07 -9.4 -0.8 0
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53229 14709828 1 NO4C34H39 AB4C34D39 -119.59 5.5 -9.32 -1.01 0
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53230 14709829 1 NO4C34H39 AB4C34D39 -120.0 5.72 -9.37 -1.02 0
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53231 14709831 1 NO5C34H39 AB5C34D39 -156.74 9.83 -8.89 -0.93 0
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53232 14709833 1 NO5C30H39 AB5C30D39 -188.27 7.39 -9.35 -0.79 0
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53233 14709836 1 NO5C31H33 AB5C31D33 -137.76 6.38 -8.93 -1.0 0
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53234 14709837 1 NO6C32H43 AB6C32D43 -226.85 5.52 -9.39 -0.8 0
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53235 14709838 1 NO6C32H43 AB6C32D43 -228.65 8.12 -9.44 -0.83 0
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53236 14709839 1 NO6C32H43 AB6C32D43 -229.25 8.43 -9.44 -0.87 0
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53237 14709840 1 NO2C30H33 AB2C30D33 -31.27 4.91 -9.01 -0.53 0
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53238 14709842 1 BC48H99 AB48C99 -249.48 0.13 -9.88 0.61 0
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53239 14709843 1 BBr3C15H30 AB3C15D30 -72.53 3.17 -10.15 -0.08 0
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53240 14709844 1 BrTeC11H15 ABC11D15 9.56 3.08 -8.18 -0.21 0
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53241 14709847 1 OTeC19H24 ABC19D24 -6.87 0.44 -8.08 -0.13 0
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53243 14709856 1 SCl3O4C23H33 AB3C4D23E33 -212.61 5.41 -10.13 -0.78 0
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53244 14709857 1 SCl3O4H19C20 AB3C4D19E20 -144.19 5.56 -9.62 -0.9 0
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53245 14709863 1 SCl3O4H19C20 AB3C4D19E20 -138.57 8.03 -9.62 -0.7 0
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53246 14709876 1 SO2C18H18 AB2C18D18 -0.14 6.5 -9.33 -0.46 0
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53247 14709885 1 OSC14H18 ABC14D18 -8.33 3.06 -8.63 0.24 0
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53248 14709888 1 OSC9H16 ABC9D16 -38.11 2.4 -8.69 0.21 0
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53249 14709889 1 OSC18H24 ABC18D24 -20.09 1.34 -8.48 0.03 0
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53250 14709890 1 OSC14H24 ABC14D24 -59.02 2.69 -8.32 0.51 0
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53251 14709891 1 OSC12H20 ABC12D20 -45.65 1.05 -8.58 0.24 0
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53252 14709896 1 NSC21H25 ABC21D25 59.74 1.63 -8.41 0.29 0
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53253 14709899 1 NSC19H29 ABC19D29 12.73 0.93 -8.22 0.4 0
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53254 14709900 1 NO3C21H25 AB3C21D25 -75.24 3.54 -9.18 -0.02 0
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53255 14709901 1 NO3C21H25 AB3C21D25 -73.24 2.44 -9.52 0.16 0
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53256 14709902 1 NO3C21H25 AB3C21D25 -71.29 0.97 -9.34 0.32 0
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53257 14709903 1 NO3C28H39 AB3C28D39 -121.0 2.3 -8.87 0.1 0
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53258 14709905 1 NO3C28H39 AB3C28D39 -119.54 1.94 -8.82 0.18 0
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53259 14709906 1 NO4C26H33 AB4C26D33 -99.44 5.23 -9.47 0.0 0
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53260 14709909 1 NSO6C27H35 ABC6D27E35 -226.25 6.98 -9.26 -0.2 0
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53261 14709910 1 NSO6C27H35 ABC6D27E35 -234.36 5.84 -9.15 -0.14 0
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53262 14709911 1 NSO6C20H29 ABC6D20E29 -262.9 4.0 -9.82 -0.19 0
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53263 14709916 1 N2O4C23H34 A2B4C23D34 -176.69 4.3 -8.97 -0.13 0
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53264 14709917 1 N2O4C23H34 A2B4C23D34 -172.32 4.39 -9.06 0.22 0
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53265 14709928 1 N2O6C21H36 A2B6C21D36 -313.15 4.1 -8.91 0.72 0
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53266 14709933 1 NSi2O4C27H49 AB2C4D27E49 -304.68 4.64 -8.79 -0.2 0
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53267 14709941 1 NSi2O4C24H49 AB2C4D24E49 -323.68 1.27 -8.79 0.76 0
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53268 14709946 1 OSN2C8H14 ABC2D8E14 -37.07 6.66 -9.59 -0.34 0
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53269 14709947 1 OSN2C10H18 ABC2D10E18 -45.41 4.06 -9.32 -0.18 0
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53270 14709950 1 NSO3C10H19 ABC3D10E19 -162.23 3.59 -9.33 -0.16 0
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53271 14709954 1 N2O7C16H22 A2B7C16D22 -297.12 4.22 -10.21 0.08 0
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53272 14709958 1 NO4C11H15 AB4C11D15 -123.1 2.69 -10.09 0.06 0
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53273 14709974 1 O6C17H30 A6B17C30 -323.6 2.4 -10.64 0.38 0
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53274 14709977 1 FO2C10H19 AB2C10D19 -166.94 1.15 -9.92 -0.16 0
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53276 14709989 1 ClPN2C11H18 ABC2D11E18 -16.51 3.63 -8.45 -0.06 0
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53277 14709991 1 BPN2Cl3C30H33 ABC2D3E30F33 109.33 8.97 -6.67 -0.8 1
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53278 14709994 1 PN2C6H16 AB2C6D16 -3.56 3.02 0.0 0.0 0
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53279 14710054 2 SC23H30 AB23C30 -16.61 0.99 -8.46 0.12 0
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53280 14710058 1 O3C12H14 A3B12C14 -104.83 4.68 -9.81 -0.2 0
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53281 14710076 1 ClO4C16H19 AB4C16D19 -153.98 4.18 -9.86 -0.21 0
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53282 14710081 1 ClO4C8H13 AB4C8D13 -205.21 4.15 -10.79 -0.74 0
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53283 14710083 1 ClO4C8H13 AB4C8D13 -205.99 3.96 -10.8 -0.63 0
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53284 14710084 1 ClO4H19C20 AB4C19D20 -120.74 2.98 -9.4 -0.66 0
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53285 14710092 1 ClO4C9H13 AB4C9D13 -182.72 4.4 -10.7 -0.54 0
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53286 14710100 1 ClO4C16H19 AB4C16D19 -155.36 2.58 -9.63 -0.22 0
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53287 14710101 1 ClO4C16H19 AB4C16D19 -155.43 3.69 -9.85 -0.36 0
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53288 14710116 1 Cl2N2O2C15H16 A2B2C2D15E16 -66.84 6.2 -10.05 -1.07 0
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53289 14710125 1 ClN2O3H15C18 AB2C3D15E18 -50.82 6.25 -9.48 -0.8 0
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53290 14710128 1 BrN2O3C21H21 AB2C3D21E21 -55.75 3.49 -9.33 -0.82 0
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53291 14710131 1 N6H16C17 A6B16C17 174.2 7.12 -9.33 -1.11 0
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53292 14710135 1 ClN6H13C16 AB6C13D16 174.89 6.64 -9.47 -1.2 0
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53293 14710137 1 OSSnC10H16 ABCD10E16 -32.67 3.62 -8.51 0.05 0
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53294 14710140 1 OSC15H16 ABC15D16 -2.06 2.63 -8.61 -0.09 0
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53295 14710162 1 NO2C24H25 AB2C24D25 -31.64 0.91 -8.76 -0.33 0
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53296 14710167 1 NaPO7H15C17F17 ABC7D15E17F17 -1313.13 8.94 -10.15 -0.82 0
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53297 14710174 1 O6C9H16 A6B9C16 -261.88 1.53 -10.3 1.39 0
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53298 14710184 1 OSN4H10C14 ABC4D10E14 72.04 5.59 -9.51 -1.93 0
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53299 14710230 1 SO2C9H14 AB2C9D14 -78.96 3.65 -9.16 -0.54 0
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53300 14710237 1 SO2H12C13 AB2C12D13 -31.5 4.19 -8.61 -0.76 0
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53301 14710261 1 Cl6N6C33H64 A6B6C33D64 -155.68 40.43 -7.68 -2.06 0
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53302 14710264 1 CuISH2C6 ABCD2E6 152.34 3.92 -8.77 -0.71 0
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53303 14710265 2 ISH2C6 ABC2D6 196.77 0.01 -9.05 -1.45 0
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53304 14710272 2 NSO4C8H8 ABC4D8E8 -247.29 4.46 -9.69 -0.35 0
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53305 14710274 1 ClO4H19C20 AB4C19D20 -141.44 4.52 -9.52 -0.26 0
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53306 14710276 2 O2C11H12 A2B11C12 -141.59 4.06 -9.24 -0.13 0
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53307 14710278 1 ClO4H19C20 AB4C19D20 -139.66 2.72 -9.51 -0.48 0
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53308 14710280 1 O4C13H20 A4B13C20 -181.5 5.7 -10.61 0.42 0
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53309 14710282 1 ClO4C16H17 AB4C16D17 -150.22 4.8 -9.52 -0.26 0
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53310 14710284 2 O2C7H12 A2B7C12 -216.56 2.99 -10.74 0.38 0
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53311 14710285 4 OC4H7 AB4C7 -208.85 3.1 -10.01 0.48 0
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53312 14710293 1 NC13H15 AB13C15 48.3 1.49 -8.59 -0.05 0
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53313 14710305 1 NO2F3H22C23 AB2C3D22E23 -163.29 5.05 -8.71 -0.23 0
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53314 14710306 1 NO2F3H22C23 AB2C3D22E23 -160.93 4.82 -8.86 -0.28 0
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53315 14710325 1 O2C21H28 A2B21C28 -64.43 3.73 -8.92 -0.81 0
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53316 14710326 1 O3C17H24 A3B17C24 -109.36 4.2 -8.79 -0.79 0
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53317 14710333 1 SiO2C24H42 AB2C24D42 -174.13 2.23 -9.1 0.32 0
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53318 14710334 1 NSO4C17H19 ABC4D17E19 -120.21 6.5 -9.35 -0.4 0
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53319 14710356 1 O3C13H20 A3B13C20 -159.16 4.41 -10.19 0.41 0
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53320 14710364 3 OC4H6 AB4C6 -141.83 0.84 -9.24 0.09 0
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53321 14710377 1 O3C13H20 A3B13C20 -157.41 4.4 -10.05 0.43 0
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53322 14710379 1 OPC12H17 ABC12D17 -73.37 4.87 -9.48 -0.01 0
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53323 14710385 1 FNO2C12H16 ABC2D12E16 -147.72 4.36 -8.83 -0.04 0
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53324 14710400 1 NO3C18H19 AB3C18D19 -101.72 4.61 -8.6 0.06 0
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53325 14710418 1 O2C13H26 A2B13C26 -147.65 1.73 -10.66 0.92 0
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53326 14710424 2 NH12C13 AB12C13 135.96 3.58 -8.59 -0.19 0
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53327 14710425 1 NOH21C25 ABC21D25 52.06 6.02 -8.6 -0.3 0
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53328 14710428 1 NOC25H27 ABC25D27 1.79 5.73 -8.59 -0.22 0