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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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434361 135174778 1 NO2C16H33 AB2C16D33 -164.39 3.81 -9.64 1.41 0
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434362 135174789 1 NO2C16H23 AB2C16D23 -65.65 3.28 -8.94 -0.62 0
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434363 135174792 1 O2N3C22H31 A2B3C22D31 13.67 3.52 -8.65 0.03 0
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434364 135174793 1 NF2O2C17H27 AB2C2D17E27 -202.0 3.57 -8.88 -0.02 0
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434365 135174798 2 NO3C14H20 AB3C14D20 -219.5 3.04 -8.75 -0.36 0
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434366 135174799 1 N2O3C22H28 A2B3C22D28 -114.66 4.88 -8.92 -0.06 0
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434367 135174800 1 N2O6C27H38 A2B6C27D38 -242.48 3.69 -8.56 0.11 0
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434368 135174801 1 ON5C26H27 AB5C26D27 93.72 5.19 -9.21 -1.23 0
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434369 135174802 1 NO2C11H23 AB2C11D23 -106.9 1.55 -8.95 1.77 0
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434370 135174803 1 BrN2O3C20H23 AB2C3D20E23 -56.05 4.61 -9.02 -1.03 0
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434371 135174804 1 ON3C11H17 AB3C11D17 -8.4 2.38 -9.31 -0.47 0
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434372 135174805 1 NO4C25H39 AB4C25D39 -150.1 3.82 -8.92 -0.36 0
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434373 135174806 1 NO4C25H37 AB4C25D37 -102.29 5.56 -8.99 -0.49 0
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434374 135174807 1 O3N4C24H32 A3B4C24D32 -98.21 5.1 -8.73 -0.8 0
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434375 135174808 1 FNS2O4C17H26 ABC2D4E17F26 -183.47 4.77 -8.4 -0.96 0
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434376 135174809 1 ON2C23H32 AB2C23D32 -16.13 3.28 -8.65 0.17 0
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434377 135174810 1 NSO5C19H31 ABC5D19E31 -196.53 3.33 -8.21 -0.01 0
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434378 135174811 1 ON2C23H32 AB2C23D32 -18.79 3.05 -8.7 0.27 0
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434379 135174812 1 ON2C18H32 AB2C18D32 -63.75 2.64 -8.76 0.11 0
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434380 135174813 1 OCl2N2C18H20 AB2C2D18E20 10.71 3.81 -8.92 -0.57 0
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434381 135174814 1 NO2C13H27 AB2C13D27 -114.79 1.65 -8.68 2.08 0
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434382 135174815 1 BrClON2C17H18 ABCD2E17F18 26.21 2.73 -9.12 -0.82 0
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434383 135174816 1 BrClN2C17H18 ABC2D17E18 55.93 2.96 -9.18 -0.62 0
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434384 135174817 1 OSN5C25H27 ABC5D25E27 92.54 0.45 -9.12 -1.33 0
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434385 135174818 1 O2N6C37H70 A2B6C37D70 -138.92 3.96 -8.25 1.09 0
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434386 135174819 1 ON5C34H57 AB5C34D57 -67.66 5.31 -8.05 -0.02 0
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434387 135174820 1 NOC19H33 ABC19D33 -39.27 2.48 -8.64 0.09 0
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434388 135174821 1 BrClON2C17H18 ABCD2E17F18 27.4 4.1 -9.01 -0.67 0
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434389 135174822 1 ON2C17H34 AB2C17D34 -80.57 1.74 -8.36 2.22 0
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434390 135174823 1 BrClN2C19H20 ABC2D19E20 68.82 3.24 -9.07 -0.71 0
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434391 135174824 1 BrON3C19H20 ABC3D19E20 59.91 1.63 -9.13 -1.12 0
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434392 135174829 2 OC10H15 AB10C15 -55.53 0.78 -8.92 -0.01 0
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434393 135174830 1 NO3C8H17 AB3C8D17 -154.74 2.91 -10.44 1.0 0
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434394 135174832 1 ON2C13H22 AB2C13D22 -43.36 2.53 -8.85 0.1 0
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434395 135174834 1 NOC16H25 ABC16D25 -39.91 2.4 -8.68 0.48 0
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434396 135174836 1 ON2C13H22 AB2C13D22 -38.33 2.57 -8.88 0.02 0
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434397 135174840 1 OCl2F3N3H18C19 AB2C3D3E18F19 -152.07 5.27 -9.05 -1.39 0
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434398 135174841 2 NO2C7H7 AB2C7D7 -155.28 7.64 -10.3 -1.63 0
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434399 135174846 1 ON2C13H28 AB2C13D28 -84.11 1.56 -8.68 2.17 0
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434400 135174850 2 NO2C18H27 AB2C18D27 -167.76 4.09 -8.25 0.09 0
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434401 135174858 1 NO2C10H23 AB2C10D23 -109.79 3.34 -8.88 2.06 0
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434402 135174859 1 NS2O3C12H25 AB2C3D12E25 -143.85 2.35 -8.98 -1.39 0
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434403 135174861 1 NS2O3C17H19 AB2C3D17E19 -68.48 4.09 -8.95 -1.35 0
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434404 135174884 1 NSO4C19H31 ABC4D19E31 -168.08 2.13 -8.11 0.15 0
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434405 135174885 1 NOF2C12H25 ABC2D12E25 -198.43 2.68 -9.11 1.88 0
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434406 135174886 1 BrClN3O3C24H25 ABC3D3E24F25 -41.61 2.11 -9.29 -0.88 0
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434407 135174888 2 ON2C11H13 AB2C11D13 22.63 8.1 -9.19 -1.12 0
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434408 135174889 1 BrClO2N3C24H27 ABC2D3E24F27 1.1 4.07 -8.94 -0.63 0
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434409 135174890 1 O2N4C21H24 A2B4C21D24 43.15 7.0 -9.23 -1.15 0
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434410 135174891 1 ON6C26H28 AB6C26D28 94.23 4.65 -9.28 -1.31 0
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434411 135174892 1 SN8O8C53H58 AB8C8D53E58 -149.36 10.78 -8.79 -0.93 0
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434412 135174893 1 SN7O7C48H59 AB7C7D48E59 -164.9 3.32 -8.34 -0.54 0
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434413 135174895 1 PO3C18H37 AB3C18D37 -271.31 2.11 -9.9 1.29 0
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434414 135174898 1 N3O6C16H25 A3B6C16D25 -240.91 8.1 -9.64 -1.77 0
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434415 135174899 1 O2N5C23H29 A2B5C23D29 -11.02 7.96 -8.96 -1.53 0
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434416 135174900 1 O3N4C33H56 A3B4C33D56 -154.23 3.64 -8.52 -0.21 0
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434417 135174903 1 NOSC15H33 ABCD15E33 -100.32 2.35 -8.59 0.68 0
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434418 135174904 1 NO2C13H29 AB2C13D29 -134.11 1.32 -8.94 1.63 0
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434419 135174905 1 F2S2N7O8C50H53 A2B2C7D8E50F53 -313.18 10.94 -8.82 -0.92 0
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434420 135174906 1 N2O4C33H66 A2B4C33D66 -283.46 1.57 -8.49 2.24 0
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434421 135174907 1 SN2O6C14H18 AB2C6D14E18 -221.12 4.88 -9.78 -1.64 0
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434422 135174908 1 N2O2C23H42 A2B2C23D42 -103.04 2.63 -8.19 0.63 0
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434423 135174909 1 ON3C26H47 AB3C26D47 -84.06 2.75 -8.11 0.48 0
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434424 135174910 1 NS2O3C12H23 AB2C3D12E23 -110.91 2.42 -8.53 -0.59 0
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434425 135174911 1 FNO2C18H26 ABC2D18E26 -131.55 5.85 -9.17 0.07 0
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434426 135174912 1 NSO2C17H25 ABC2D17E25 -73.24 2.48 -8.87 -0.02 0
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434427 135174913 1 SN2O3C12H18 AB2C3D12E18 -80.94 1.18 -8.91 -0.56 0
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434428 135174914 1 FNSO4C17H26 ABCD4E17F26 -205.61 4.86 -8.21 -0.09 0
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434429 135174915 1 ClS2N10O18C73H99 AB2C10D18E73F99 -712.85 8.91 -8.78 -0.99 0
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434430 135174916 1 S2F3N8O14C60H73 A2B3C8D14E60F73 -596.45 8.91 -8.85 -0.91 0
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434431 135174917 1 ON5C29H61 AB5C29D61 -118.92 1.84 -8.0 2.28 0
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434434 135174920 1 P2N9O11C21H27 A2B9C11D21E27 -486.44 7.14 -8.97 -0.65 0
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434435 135174921 1 P2N9O12C21H27 A2B9C12D21E27 -510.98 8.22 -9.22 -1.06 0
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434436 135174922 1 P2O11N13C20H25 A2B11C13D20E25 -392.34 16.15 -8.85 -1.0 0
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434438 135174924 1 FPN4O6C11H14 ABC4D6E11F14 -319.31 3.89 -8.69 -0.36 0
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434439 135174925 1 P2N8O11C21H26 A2B8C11D21E26 -481.69 13.42 -9.03 -0.61 0
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434440 135174926 2 PN5O6C10H13 AB5C6D10E13 -498.98 9.87 -9.26 -1.05 0
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434442 135174928 1 N2S2C11H12 A2B2C11D12 69.61 2.18 -8.65 -1.17 0
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434443 135174929 1 O2N6C23H38 A2B6C23D38 17.77 3.33 -8.44 0.31 1
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434444 135174930 1 P2N9O12C21H26 A2B9C12D21E26 -493.0 10.73 0.0 0.0 0
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434445 135174931 1 PN5O5C10H14 AB5C5D10E14 -206.03 3.91 -9.24 -0.86 0
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434446 135174932 1 SP2N10O10C20H26 AB2C10D10E20F26 -424.97 2.22 -8.56 -1.28 0
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434447 135174933 1 P2N8O11C21H26 A2B8C11D21E26 -494.49 6.17 -9.07 -0.67 0
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434448 135174934 1 FPO9N10C20H24 ABC9D10E20F24 -369.64 6.82 -9.35 -0.8 0
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434449 135174945 1 ON2C17H36 AB2C17D36 -95.11 1.3 -8.04 2.23 0
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434451 135174948 1 F2P2S2O9N10C20H24 A2B2C2D9E10F20G24 -503.26 13.7 -8.98 -0.92 0
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434452 135174950 1 P2S2F3O9N10C20H23 A2B2C3D9E10F20G23 -541.91 12.47 -9.1 -1.14 0
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434453 135174969 1 PN2O5C6H13 AB2C5D6E13 -271.37 5.22 -9.41 0.54 0
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434454 135174970 1 P2N8O12C21H26 A2B8C12D21E26 -541.98 7.66 -8.9 -0.76 1
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434455 135174984 1 FP2S2O9N10C20H24 AB2C2D9E10F20G24 -363.86 8.34 0.0 0.0 0
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434456 135174985 1 PSO5N6C9H15 ABC5D6E9F15 -195.12 10.46 -8.48 -0.54 0
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434459 135174996 1 P2S2N9O9C22H29 A2B2C9D9E22F29 -399.43 18.62 -8.33 -0.71 0
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434460 135175000 1 N2O3C18H28 A2B3C18D28 -121.35 2.85 -8.67 0.25 0
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434461 135175001 1 N2C13H24 A2B13C24 5.33 1.42 -8.3 1.26 0
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434462 135175002 1 FNO3S3C14H18 ABC3D3E14F18 -121.24 3.39 -8.61 -0.74 0
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434463 135175003 1 NOS2C14H21 ABC2D14E21 -12.29 5.78 -8.4 -0.72 0
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434464 135175005 1 FNOC15H22 ABCD15E22 -91.52 2.71 -9.06 0.2 0
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434465 135175008 1 NSO7C9H11 ABC7D9E11 -233.09 1.08 -10.0 -2.23 0
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434466 135175009 1 NO2C9H13 AB2C9D13 -52.92 3.41 -9.87 -0.46 0
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434467 135175010 1 FNO2C12H16 ABC2D12E16 -102.99 5.27 -8.3 0.1 0