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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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323792 126676189 1 N3O4C21H25 A3B4C21D25 -132.07 3.04 -9.53 -1.05 0
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323793 126676191 2 ON2C8H8 AB2C8D8 -26.32 5.87 -9.04 -0.77 0
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323794 126676193 1 SF3O4N7H28C29 AB3C4D7E28F29 -179.23 2.05 -8.68 -1.07 0
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323795 126676194 1 BrN2O2C9H15 AB2C2D9E15 -75.84 2.17 -8.72 -0.75 0
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323796 126676197 1 N2O3C9H16 A2B3C9D16 -126.84 5.47 -8.99 -0.47 0
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323797 126676198 2 NOC5H8 ABC5D8 -73.02 0.94 -9.64 -0.17 0
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323798 126676201 1 FN2O4C20H23 AB2C4D20E23 -202.32 3.95 -9.56 -1.11 0
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323799 126676204 1 BrO2N4H13C16 AB2C4D13E16 1.49 5.23 -9.38 -1.5 0
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323800 126676205 1 O2N3C15H17 A2B3C15D17 -49.05 1.32 -8.95 -0.63 0
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323801 126676206 1 SO4F5N6H27C30 AB4C5D6E27F30 -285.23 4.35 -9.01 -1.21 0
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323802 126676209 1 FO2N6C36H41 AB2C6D36E41 -33.39 3.86 -8.29 -0.89 0
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323803 126676210 1 O3N5C33H43 A3B5C33D43 -83.09 1.77 -8.89 -0.52 0
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323804 126676212 1 BrNC13H20 ABC13D20 1.02 3.34 -8.67 -0.38 0
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323805 126676215 1 N3O4C18H19 A3B4C18D19 -113.82 2.01 -9.43 -1.19 0
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323806 126676217 1 N2O4H14C15 A2B4C14D15 -116.82 3.41 -9.49 -1.24 0
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323807 126676220 1 N3O3C20H23 A3B3C20D23 -79.88 2.92 -9.48 -1.02 0
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323808 126676225 1 ClN2O2C24H27 AB2C2D24E27 -61.09 5.81 -8.51 -1.38 0
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323809 126676228 1 FNO6C27H32 ABC6D27E32 -260.42 5.27 -9.3 -0.53 0
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323810 126676229 1 F3O3N5H10C16 A3B3C5D10E16 -102.19 3.08 -9.34 -1.86 0
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323811 126676230 1 NO5C21H31 AB5C21D31 -215.84 3.92 -8.44 -0.13 0
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323812 126676231 1 NO3C19H29 AB3C19D29 -142.52 5.38 -8.2 -0.13 0
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323813 126676242 2 FNO4C24H28 ABC4D24E28 -407.98 7.65 -8.35 -1.06 0
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323814 126676247 1 O2N4H12C13 A2B4C12D13 -31.55 5.86 -9.24 -0.92 0
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323815 126676252 1 N7C22H23 A7B22C23 170.26 3.43 -9.01 -0.87 0
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323816 126676253 1 ON5C19H25 AB5C19D25 9.86 0.9 -8.79 -0.57 0
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323817 126676258 1 FN2O3C24H29 AB2C3D24E29 -158.95 5.33 -8.1 -0.68 0
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323818 126676259 1 OF2N3H13C15 AB2C3D13E15 -78.71 2.06 -9.09 -0.76 0
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323819 126676260 1 NOC13H21 ABC13D21 -41.3 3.13 -8.88 0.45 0
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323820 126676261 1 O2N3F5H12C17 A2B3C5D12E17 -231.9 3.37 -9.5 -1.26 0
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323821 126676263 1 O2N3H17C19 A2B3C17D19 -2.71 1.36 -8.62 -0.53 0
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323822 126676264 1 N4C11H20 A4B11C20 46.89 4.05 -8.32 0.12 0
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323823 126676266 1 FN3O3H14C15 AB3C3D14E15 -133.75 2.93 -9.65 -1.16 0
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323824 126676269 1 ON8C17H22 AB8C17D22 57.61 3.14 -8.36 -0.44 0
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323825 126676270 2 NO2C11H14 AB2C11D14 -150.73 2.17 -9.18 -1.1 0
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323826 126676271 1 IO2N4C26H29 AB2C4D26E29 -10.25 1.82 -9.0 -0.94 0
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323827 126676272 1 ON3C14H15 AB3C14D15 -3.69 2.38 -8.82 -0.53 0
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323828 126676275 1 N2O3C17H20 A2B3C17D20 -93.95 7.6 -9.02 -0.73 0
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323829 126676276 1 N7H17C20 A7B17C20 174.25 2.39 -8.98 -0.82 0
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323830 126676277 2 N3C10H11 A3B10C11 93.1 3.43 -8.1 -0.41 0
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323831 126676279 1 N8H14C15 A8B14C15 162.15 5.51 -9.01 -0.89 0
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323832 126676282 1 F2N3O3H17C18 A2B3C3D17E18 -162.06 4.39 -9.69 -1.24 0
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323833 126676283 1 F2N3O3H17C18 A2B3C3D17E18 -162.08 4.47 -9.69 -1.24 0
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323834 126676284 1 N7H17C20 A7B17C20 174.78 5.67 -8.99 -0.84 0
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323835 126676292 1 NOC21H27 ABC21D27 -17.04 2.31 -8.81 0.47 0
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323836 126676294 1 OF3N5C11H12 AB3C5D11E12 -123.94 5.01 -8.42 -0.66 0
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323837 126676296 1 FN3O4C19H20 AB3C4D19E20 -162.85 3.62 -9.71 -1.3 1
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323838 126676297 1 F3O3N7H13C18 A3B3C7D13E18 -82.75 7.25 0.0 0.0 0
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323839 126676298 1 ON9C22H27 AB9C22D27 74.85 2.61 -8.26 -0.17 0
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323840 126676300 1 ON10C22H24 AB10C22D24 133.11 2.31 -8.4 -0.64 1
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323841 126676302 1 F3O3N7H11C17 A3B3C7D11E17 -87.75 7.02 0.0 0.0 0
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323842 126676304 1 NO2C10H15 AB2C10D15 -52.15 1.41 -8.94 0.24 0
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323843 126676306 1 ON2C18H18 AB2C18D18 51.17 4.18 -8.82 -0.74 0
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323844 126676307 1 ON6C17H22 AB6C17D22 14.76 3.49 -8.13 -0.37 0
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323845 126676311 1 FN2O2C15H15 AB2C2D15E15 -98.39 4.32 -9.17 -0.88 0
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323846 126676316 1 ON9C21H31 AB9C21D31 62.04 6.64 -8.28 -0.26 0
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323847 126676318 1 N10C19H22 A10B19C22 172.06 3.47 -8.23 -0.34 0
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323848 126676319 1 NO3H13C14 AB3C13D14 -63.01 1.59 -9.38 -1.08 0
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323849 126676322 2 ON4C10H13 AB4C10D13 14.25 6.52 -8.39 -0.65 0
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323850 126676323 1 FSN3O5H26C27 ABC3D5E26F27 -146.76 2.84 -9.79 -1.46 0
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323851 126676325 1 N4O5H28C29 A4B5C28D29 -98.46 12.56 -9.21 -1.2 0
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323852 126676336 1 FN8H11C14 AB8C11D14 128.53 2.41 -9.18 -1.25 0
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323853 126676346 1 ClN2C18H21 AB2C18D21 29.76 2.91 -8.29 -0.17 0
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323854 126676348 1 NC15H21 AB15C21 0.39 1.94 -9.03 0.42 0
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323855 126676357 1 ON7C22H23 AB7C22D23 80.15 3.62 -8.21 -0.55 0
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323856 126676358 1 O2N8C21H28 A2B8C21D28 18.11 4.31 -8.2 -0.26 0
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323857 126676361 6 NC2H2 AB2C2 104.71 4.37 -8.79 -0.56 0
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323858 126676362 2 N3C6H7 A3B6C7 92.71 5.64 -8.78 0.0 0
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323859 126676363 2 N3C6H8 A3B6C8 67.22 1.17 -8.35 0.2 0
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323860 126676364 1 ON10C23H24 AB10C23D24 128.4 3.43 -8.26 -0.36 0
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323861 126676365 1 ClS2F3N4H18C23 AB2C3D4E18F23 -27.06 6.57 -8.7 -1.26 0
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323862 126676368 1 FN3O3C20H22 AB3C3D20E22 -131.82 3.15 -9.47 -1.09 0
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323863 126676369 1 N3O3C20H23 A3B3C20D23 -84.97 3.06 -9.5 -1.04 0
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323864 126676371 1 N3O11C17H31 A3B11C17D31 -479.79 2.62 -8.52 0.16 0
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323865 126676375 1 ON7C17H19 AB7C17D19 97.81 5.03 -8.24 -0.07 0
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323866 126676376 1 ON7C18H19 AB7C18D19 107.12 5.57 -8.97 -0.87 0