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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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59237 24775808 1 F2O2N3H15C22 A2B2C3D15E22 -35.99 5.77 -9.02 -1.13 0
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59238 24775809 1 F2O2N3H15C22 A2B2C3D15E22 -38.65 4.47 -9.21 -1.06 0
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59239 24775810 1 F2O2N3H17C23 A2B2C3D17E23 -48.94 4.27 -9.12 -1.03 0
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59240 24775811 1 F2O2N3H17C23 A2B2C3D17E23 -45.89 6.05 -8.99 -1.11 0
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59241 24775814 1 O2N3C21H21 A2B3C21D21 -1.99 6.4 -8.58 -0.1 0
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59242 24775815 1 SN2O2H20C21 AB2C2D20E21 -9.92 4.26 -8.73 -1.1 0
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59243 24775818 1 Cl2N2O2C21H30 A2B2C2D21E30 -89.44 2.22 -8.74 -0.33 0
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59244 24775819 1 NO2C15H25 AB2C15D25 -95.7 1.79 -9.75 -0.26 0
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59245 24775820 1 N2S2O4H18C23 A2B2C4D18E23 -38.32 11.08 -8.97 -2.04 0
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59246 24775821 1 FN2S2O4H15C22 AB2C2D4E15F22 -72.2 9.46 -9.05 -2.18 0
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59247 24775827 1 O2N7C21H23 A2B7C21D23 71.86 6.82 -8.65 -0.16 0
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59248 24775828 1 O3N8C23H26 A3B8C23D26 27.94 9.83 -8.74 -0.44 0
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59249 24775829 1 O3N7C21H23 A3B7C21D23 41.16 3.58 -8.86 -0.35 0
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59250 24775831 1 ClO3N8C21H21 AB3C8D21E21 31.84 7.3 -8.76 -0.86 0
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59251 24775835 1 ON4H24C25 AB4C24D25 52.26 2.44 -8.13 -0.88 0
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59252 24775838 1 N2O5C28H28 A2B5C28D28 -125.3 3.21 -8.42 -0.8 0
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59253 24775839 1 SN2O6C30H48 AB2C6D30E48 -269.93 3.14 -9.08 -0.52 0
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59254 24775840 1 SN2O6C31H50 AB2C6D31E50 -279.32 1.58 -8.89 -0.37 0
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59255 24775841 1 SN2O6C30H48 AB2C6D30E48 -269.95 8.18 -9.02 -0.52 0
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59256 24775843 1 O2N3C25H25 A2B3C25D25 29.29 2.66 -8.44 -0.98 0
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59257 24775844 1 O2N3C21H25 A2B3C21D25 -5.4 2.34 -8.48 -0.6 0
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59258 24775845 1 O2N3C24H29 A2B3C24D29 -12.3 3.68 -8.49 -0.82 0
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59259 24775846 1 N3O4C21H23 A3B4C21D23 -72.41 4.01 -8.56 -1.2 0
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59260 24775847 1 N3O4C19H19 A3B4C19D19 -66.15 8.88 -8.81 -1.37 0
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59261 24775849 1 O3N4C23H28 A3B4C23D28 -39.5 4.94 -8.68 -0.94 0
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59262 24775850 1 FSN3O22C43H46 ABC3D22E43F46 -836.49 8.65 -9.23 -1.53 0
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59263 24775851 1 N9O14C36H65 A9B14C36D65 -703.03 11.15 -9.52 -0.51 0
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59264 24775852 1 O2H24C25 A2B24C25 -9.59 2.3 -9.3 -0.05 0
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59265 24775853 1 NO2H19C20 AB2C19D20 -7.42 6.0 -8.31 -0.46 0
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59266 24775854 1 NO2C19H19 AB2C19D19 -27.63 5.63 -8.13 -0.43 0
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59267 24775858 1 ClNO2H16C18 ABC2D16E18 -31.12 5.6 -8.44 -0.5 0
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59268 24775860 1 NO4H31C35 AB4C31D35 -46.87 5.44 -9.06 -0.43 0
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59269 24775861 1 BrO4H31C34 AB4C31D34 -77.72 3.57 -8.73 -0.12 0
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59270 24775862 1 ClO4H31C34 AB4C31D34 -91.15 1.99 -8.81 -0.13 0
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59271 24775863 2 O2H16C17 A2B16C17 -74.93 1.58 -8.89 -0.13 0
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59272 24775864 1 OC23H38 AB23C38 -28.48 2.18 -9.06 0.35 0
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59273 24775866 1 OC16H24 AB16C24 -29.72 0.94 -8.82 0.76 0
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59274 24775867 1 OC13H18 AB13C18 -23.08 1.01 -8.81 0.79 0
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59275 24775868 1 OC14H20 AB14C20 -29.86 1.03 -8.76 0.83 0
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59276 24775869 1 OC13H20 AB13C20 -38.84 0.65 -8.57 0.89 0
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59277 24775870 1 OC19H30 AB19C30 -48.58 1.2 -8.52 0.93 0
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59278 24775871 1 OC20H32 AB20C32 -52.14 0.82 -8.41 1.08 0
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59279 24775873 1 PN3O10C21H26 AB3C10D21E26 -437.94 4.79 -9.59 -0.49 0
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59280 24775874 1 ClPN3O10C21H25 ABC3D10E21F25 -445.39 5.9 -9.41 -0.55 0
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59281 24775876 1 PN6O8C21H25 AB6C8D21E25 -285.1 6.22 -8.97 -0.41 0
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59282 24775877 1 ClPN6O8C21H24 ABC6D8E21F24 -301.98 0.91 -9.2 -0.65 0
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59283 24775878 1 NO2C25H31 AB2C25D31 -41.02 4.9 -9.03 -0.22 0
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59284 24775895 1 O2N7C39H41 A2B7C39D41 91.83 6.36 -8.01 -1.33 0
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59285 24775898 1 BrFN2O4C24H24 ABC2D4E24F24 -172.75 4.93 -9.21 -1.16 0
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59286 24775902 1 OF2N3H17C24 AB2C3D17E24 -24.38 6.75 -8.85 -1.05 0
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59287 24775906 1 ClF2N2O4H17C22 AB2C2D4E17F22 -187.89 4.64 -9.25 -1.09 0
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59288 24775907 1 F2N2O2H16C23 A2B2C2D16E23 -70.06 2.99 -8.71 -1.02 0
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59289 24778752 1 NPO8C27H52 ABC8D27E52 -459.6 14.65 -9.96 -0.28 0
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59290 24778753 1 NPO8C28H56 ABC8D28E56 -491.28 14.66 -10.02 -0.32 0
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59291 24778757 1 NPO8C30H60 ABC8D30E60 -499.46 14.61 -9.65 -0.46 0
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59292 24778758 1 NPO8C33H66 ABC8D33E66 -523.6 12.27 -9.64 -0.23 0
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59293 24778768 1 NPO8C42H78 ABC8D42E78 -493.96 17.43 -9.07 -0.45 0
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59295 24778779 1 NPO8C38H76 ABC8D38E76 -551.02 14.13 -9.74 -0.21 0
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59296 24778800 1 NPO8C34H68 ABC8D34E68 -525.08 12.81 -9.85 -0.2 0
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59298 24778813 1 NPO8C43H86 ABC8D43E86 -565.55 13.98 -9.74 -0.3 0
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59299 24778824 1 NPO8C44H86 ABC8D44E86 -546.94 17.73 -9.31 -0.46 0
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59300 24778828 1 NPO8C44H84 ABC8D44E84 -520.44 12.98 -9.73 -0.21 0
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59301 24778832 1 NPO8C44H80 ABC8D44E80 -476.72 15.37 -9.06 -0.36 0
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59302 24778834 1 NPO8C44H80 ABC8D44E80 -485.71 10.18 -8.31 -0.29 0
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59303 24778840 1 NPO8C46H92 ABC8D46E92 -587.85 13.21 -9.72 -0.1 0
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59304 24778850 1 NPO8C46H88 ABC8D46E88 -538.45 15.61 -9.56 -0.07 0
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59305 24778857 1 NPO8C46H86 ABC8D46E86 -514.76 14.48 -9.31 -0.15 0
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59306 24778885 1 NPO8C29H56 ABC8D29E56 -474.83 10.78 -9.79 -0.17 0
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59307 24778904 1 NPO8C44H84 ABC8D44E84 -532.02 11.71 -9.47 -0.01 0
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59308 24778917 1 NPO8C44H84 ABC8D44E84 -526.51 12.09 -9.18 -0.31 0
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59309 24778933 1 NPO8C42H82 ABC8D42E82 -538.39 16.45 -8.87 -0.5 0
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59310 24778935 1 NPO8C42H80 ABC8D42E80 -513.89 14.62 -9.09 -0.45 0
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59311 24778939 1 NPO8C44H82 ABC8D44E82 -499.54 18.17 -9.73 -0.3 0
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59312 24778940 1 NPO8C44H80 ABC8D44E80 -456.01 9.81 -9.22 -0.68 0
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59313 24778942 1 NPO8C44H80 ABC8D44E80 -477.28 17.8 -8.96 -0.53 0
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59314 24778945 1 NPO8C46H90 ABC8D46E90 -556.42 14.94 -9.52 -0.26 0
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59315 24778947 1 NPO8C46H84 ABC8D46E84 -490.67 11.46 -9.34 -0.28 0
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59316 24778953 1 NPO8C48H86 ABC8D48E86 -477.72 14.08 -8.74 -0.3 0
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59317 24778957 1 NPO8C50H98 ABC8D50E98 -585.46 11.38 -9.49 -0.3 0
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59318 24778966 1 NPO8C42H80 ABC8D42E80 -408.16 11.09 -8.65 -0.29 0
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59319 24778967 1 NPO8C44H80 ABC8D44E80 -470.63 17.79 -8.2 -0.74 0
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59320 24778969 1 NPO8C44H80 ABC8D44E80 -462.11 8.91 -8.92 -0.28 0
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59321 24778972 1 NPO8C42H80 ABC8D42E80 -509.51 13.54 -9.05 -0.52 0
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59322 24778978 1 NPO8C46H86 ABC8D46E86 -515.07 14.32 -9.13 -0.32 0
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59323 24778980 1 NPO8C46H80 ABC8D46E80 -448.11 14.45 -9.39 0.1 0
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59325 24778984 1 NPO8C48H80 ABC8D48E80 -415.29 12.02 -9.22 -0.39 0
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59326 24778994 1 NPO8C44H72 ABC8D44E72 -382.75 13.94 -8.26 -0.56 0
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59327 24779004 1 NPO8C41H82 ABC8D41E82 -550.62 16.8 -8.57 -1.02 1
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59328 24779528 1 NPO7C46H77 ABC7D46E77 -219.98 3.67 0.0 0.0 0
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59329 24781086 1 NSeC8H15 ABC8D15 -4.57 7.32 -7.62 -0.1 0
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59330 24786835 1 N4O4C17H22 A4B4C17D22 -99.97 11.67 -8.73 -1.64 0
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59331 24786947 1 O2N5C13H15 A2B5C13D15 17.5 3.49 -9.08 -0.49 0
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59332 24787011 1 ON2H20C26 AB2C20D26 63.2 4.43 -8.39 -0.75 0
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59333 24797278 1 O5C32H60 A5B32C60 -335.2 5.57 -9.76 0.47 0
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59334 24810264 2 OC14H18 AB14C18 -66.06 3.59 -9.33 -0.04 0
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59335 24811283 1 ClN2O2S2F3H16C17 AB2C2D2E3F16G17 -198.8 7.73 -8.91 -1.43 0
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59336 24811413 1 ClO2N4H13C20 AB2C4D13E20 42.39 6.65 -8.95 -1.34 0
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59337 24811786 1 N7C18H25 A7B18C25 108.48 4.55 -8.32 -0.35 0
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59338 24813759 1 N3O4H35C39 A3B4C35D39 -17.55 3.3 -7.91 -1.26 0
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59339 24814839 2 NC15H18 AB15C18 35.25 1.36 -9.21 -0.18 0