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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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164870 74462564 1 O2N3C22H36 A2B3C22D36 -90.83 5.3 0.0 0.0 1
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164871 74462764 1 O4N5C29H36 A4B5C29D36 -95.88 5.23 0.0 0.0 1
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164872 74463602 1 ClO2N5C21H25 AB2C5D21E25 -4.6 4.98 0.0 0.0 1
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164873 74463880 1 O2N3C21H28 A2B3C21D28 -43.42 1.48 0.0 0.0 0
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164874 74464350 1 SO2N4C28H32 AB2C4D28E32 -26.9 5.56 -8.37 -0.42 -1
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164875 74464763 1 PN5O6C10H11 AB5C6D10E11 -188.29 9.45 0.0 0.0 1
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164876 74464764 1 NO2C12H16 AB2C12D16 -34.7 6.6 0.0 0.0 -1
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164877 74464773 1 O3N6C8H9 A3B6C8D9 81.85 4.93 0.0 0.0 1
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164878 74465010 1 N2O3C20H25 A2B3C20D25 -62.18 6.74 0.0 0.0 1
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164879 74465011 1 ClN3O3H15C21 AB3C3D15E21 10.82 3.99 0.0 0.0 0
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164881 74465917 1 NF2O7H14C20 AB2C7D14E20 -228.78 3.29 0.0 0.0 0
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164882 74466299 1 O2N6H20C21 A2B6C20D21 50.54 6.33 -8.7 -1.8 1
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164883 74466300 1 SN3O3C21H34 AB3C3D21E34 -119.78 8.79 0.0 0.0 0
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164885 74466677 1 N3O4C22H30 A3B4C22D30 -112.7 5.41 0.0 0.0 1
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164886 74466678 1 N2O3C25H29 A2B3C25D29 -39.17 7.28 0.0 0.0 0
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164887 74467060 1 SO2N4C18H22 AB2C4D18E22 -60.39 5.21 -9.39 -0.98 1
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164888 74467324 1 O3N5C23H24 A3B5C23D24 0.77 7.36 0.0 0.0 1
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164889 74467325 1 SO3N5C23H24 AB3C5D23E24 2.42 8.05 0.0 0.0 1
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164891 74467353 1 Cl3O3N4H14C22 A3B3C4D14E22 23.16 2.69 0.0 0.0 1
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164893 74467371 1 ClO3N5C26H35 AB3C5D26E35 -85.3 3.27 0.0 0.0 0
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164895 74467577 1 O3N7C24H32 A3B7C24D32 11.18 10.82 0.0 0.0 0
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164896 74467805 1 ON6C29H38 AB6C29D38 37.53 6.65 -9.25 -0.02 1
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164897 74467806 1 ON6C30H41 AB6C30D41 52.09 9.6 0.0 0.0 0
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164898 74467807 1 ON6C30H40 AB6C30D40 33.18 6.82 -9.24 0.01 1
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164899 74467808 1 O2N6C29H39 A2B6C29D39 22.42 6.37 0.0 0.0 0
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164900 74468106 2 O2N3C13H17 A2B3C13D17 -53.06 10.54 -9.5 -0.42 0
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164901 74468556 1 SN3O3C22H23 AB3C3D22E23 -25.35 3.29 -8.65 -1.28 1
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164902 74468672 1 O2N3C22H30 A2B3C22D30 -56.41 2.65 0.0 0.0 0
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164903 74468803 1 SF3N3O4H18C19 AB3C3D4E18F19 -217.76 6.13 -9.74 -1.54 0
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164904 74468830 1 FN4O4C18H25 AB4C4D18E25 -201.0 4.96 -9.76 -0.59 -1
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164905 74469301 1 FSO5H18C20 ABC5D18E20 -156.27 3.87 0.0 0.0 -1
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164906 74469307 1 NSO6C26H30 ABC6D26E30 -185.27 5.78 0.0 0.0 1
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164907 74469331 1 SN3O3C21H34 AB3C3D21E34 -121.16 13.68 0.0 0.0 0
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164908 74469511 1 O3N6C28H42 A3B6C28D42 -77.32 6.92 -9.14 -0.46 0
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164909 74469569 2 ON3C14H21 AB3C14D21 -38.73 8.38 -9.4 -0.17 1
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164910 74470090 1 O4N6C29H43 A4B6C29D43 -90.22 6.07 0.0 0.0 0
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164911 74470357 1 O2N6C31H42 A2B6C31D42 1.3 5.49 -9.17 -0.27 1
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164912 74470358 1 O2N7C30H42 A2B7C30D42 14.8 5.59 0.0 0.0 0
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164913 74470369 1 O3N6C26H36 A3B6C26D36 -33.26 9.54 -8.78 -1.11 0
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164914 74470841 1 ON6C32H44 AB6C32D44 25.98 8.48 -9.34 0.01 2
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164915 74471714 1 ON2C9H22 AB2C9D22 -59.82 4.21 -9.05 2.39 0
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164916 74471820 1 ClFO2N3C25H25 ABC2D3E25F25 -87.49 3.51 -8.77 -0.53 2
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164917 74472132 1 O3N5C14H25 A3B5C14D25 -106.04 4.11 -9.13 -0.32 -1
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164918 74472354 1 N3S3O5H16C19 A3B3C5D16E19 -54.45 9.39 0.0 0.0 0
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164920 74473110 1 Cl2O2N3C21H21 A2B2C3D21E21 -17.84 6.52 -9.45 -1.59 1
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164921 74473185 1 ClOSN3C15H19 ABCD3E15F19 30.34 13.23 0.0 0.0 -1
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164922 74473703 1 N2O3H15C18 A2B3C15D18 6.03 9.01 0.0 0.0 0
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164924 74473726 1 N3O5H12C14 A3B5C12D14 -6.43 8.6 0.0 0.0 0
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164925 74473727 1 N3O5H13C14 A3B5C13D14 -65.15 11.21 -9.45 -1.74 0
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164927 74473971 1 SN4O4C21H30 AB4C4D21E30 -140.79 6.23 -8.55 -0.1 1
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164928 74474070 1 N4O7C21H27 A4B7C21D27 -257.48 1.36 0.0 0.0 1
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164929 74474114 1 N2O2C25H35 A2B2C25D35 -51.89 3.4 0.0 0.0 1
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164930 74474115 1 O3N4C28H29 A3B4C28D29 -3.18 5.33 0.0 0.0 -1
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164932 74474312 1 O4N5C17H22 A4B5C17D22 -98.12 4.51 0.0 0.0 0
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164933 74474313 1 O4N5C18H25 A4B5C18D25 -65.94 4.68 -8.91 -0.4 0
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164934 74474538 2 O2N3C14H20 A2B3C14D20 -109.45 6.2 -9.28 -0.13 0
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164935 74474539 2 O2N3C14H18 A2B3C14D18 -62.79 7.87 -9.34 -0.44 0
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164936 74474832 1 ON6C30H46 AB6C30D46 -20.14 9.21 -9.02 0.04 0
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164937 74475506 2 ON3C13H18 AB3C13D18 16.23 3.66 -9.26 -1.44 0
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164938 74475507 1 O3N6C27H34 A3B6C27D34 17.45 8.21 -9.17 -1.36 1
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164939 74475894 1 O2N6C28H49 A2B6C28D49 -76.8 5.67 0.0 0.0 0
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164940 74476492 1 ON6C28H34 AB6C28D34 96.1 9.13 -9.03 -1.79 1
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164941 74476569 1 O2N6C27H39 A2B6C27D39 12.38 12.58 0.0 0.0 0
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164942 74476570 1 O2N6C27H38 A2B6C27D38 -2.03 10.22 -9.02 -0.46 1
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164943 74476571 1 O2N6C28H41 A2B6C28D41 7.62 15.74 0.0 0.0 0
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164944 74476572 2 ON3C14H20 AB3C14D20 -2.75 7.11 -8.98 -1.46 0
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164945 74476573 1 FN3O5H22C23 AB3C5D22E23 -161.25 11.4 -8.6 -1.92 -1
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164946 74476606 1 H5O5N8C10 A5B5C8D10 129.7 2.88 0.0 0.0 1
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164948 74476636 1 O3N4C27H42 A3B4C27D42 -157.65 2.63 -8.53 0.23 0
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164949 74476642 2 N2O2C13H15 A2B2C13D15 -85.45 5.93 -8.41 -1.49 -2
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164950 74477110 1 FN3O5H16C24 AB3C5D16E24 -40.12 26.51 -8.15 -3.62 0
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164951 74477276 1 FO2N5C19H24 AB2C5D19E24 -65.02 1.42 -8.8 -0.22 1
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164953 74478021 1 NSO8C20H21 ABC8D20E21 -263.6 7.61 -9.24 -1.31 0
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164954 74478383 1 SN2O5C22H26 AB2C5D22E26 -149.65 12.15 -8.46 -1.12 -1
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164955 74478397 1 NSO6C20H20 ABC6D20E20 -126.53 4.92 0.0 0.0 0
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164956 74478398 1 NSO6C20H21 ABC6D20E21 -179.05 8.96 -9.15 -1.16 -1
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164959 74478401 1 NSO5C19H19 ABC5D19E19 -141.58 8.73 -9.43 -1.27 -1
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164960 74478402 1 NSO8C21H22 ABC8D21E22 -193.79 5.1 0.0 0.0 0
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164961 74478403 1 NSO8C21H23 ABC8D21E23 -247.75 10.67 -8.46 -1.14 -1
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164962 74478404 1 NSF2O5H14C18 ABC2D5E14F18 -168.21 2.12 0.0 0.0 -1
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164963 74478426 1 NO4H12C18 AB4C12D18 -32.93 3.3 0.0 0.0 0
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164964 74478502 1 FNS2O5C19H22 ABC2D5E19F22 -208.81 5.25 -9.63 -0.61 0
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164966 74478504 1 N2S2O5C18H22 A2B2C5D18E22 -152.86 5.59 -9.65 -0.65 0
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164968 74478735 1 NO7H21C23 AB7C21D23 -183.96 5.71 -9.24 -0.54 -1
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164969 74479405 1 FN2O3H12C18 AB2C3D12E18 -3.65 23.83 0.0 0.0 1
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164970 74479509 1 O2N4C18H23 A2B4C18D23 -30.9 12.44 0.0 0.0 1
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164972 74479776 1 ClSN3O4H20C21 ABC3D4E20F21 -106.47 3.49 -8.8 -0.8 0
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164973 74480145 1 BrN2O4C22H23 AB2C4D22E23 -73.21 18.12 -8.51 -0.51 -1
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164974 74480362 1 N4O6C24H31 A4B6C24D31 -226.04 9.65 0.0 0.0 -1
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164975 74480363 1 N2O7C24H27 A2B7C24D27 -230.69 10.76 0.0 0.0 -1
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164976 74480364 1 N2O7C27H31 A2B7C27D31 -241.11 9.19 0.0 0.0 1
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164978 74480366 1 SN3O6C23H40 AB3C6D23E40 -312.42 8.28 0.0 0.0 -1
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164979 74480367 1 N2O7C29H35 A2B7C29D35 -217.01 10.77 0.0 0.0 -1
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164980 74480368 1 N3O6H20C22 A3B6C20D22 -196.39 5.31 0.0 0.0 -1
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164981 74480369 1 O3N4C16H19 A3B4C16D19 -67.17 3.22 0.0 0.0 -1
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164983 74480371 1 FN3O3C21H23 AB3C3D21E23 -129.84 7.76 0.0 0.0 -1
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164984 74480372 1 SN3O5H22C23 AB3C5D22E23 -138.16 5.16 0.0 0.0 1
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164986 74480374 1 N3O6H22C23 A3B6C22D23 -95.08 8.15 0.0 0.0 1
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164987 74480375 1 ClN3O4C22H25 AB3C4D22E25 -131.73 4.58 0.0 0.0 -1
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164988 74480376 1 N4O5C23H25 A4B5C23D25 -130.84 10.39 0.0 0.0 -1