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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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132911 51445000 1 O2N3H16C17 A2B3C16D17 -23.49 3.39 0.0 0.0 0
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132912 51445041 2 N2O3H9C10 A2B3C9D10 -99.71 9.09 -9.55 -1.51 0
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132913 51445042 1 ClN3O4H22C26 AB3C4D22E26 -78.7 6.18 -9.02 -0.92 -1
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132914 51445362 1 SN3O6H16C22 AB3C6D16E22 -10.24 8.58 0.0 0.0 -1
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132915 51445415 1 ClFSN2O4H17C23 ABCD2E4F17G23 -80.8 6.17 0.0 0.0 0
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132916 51445835 1 O9C22H22 A9B22C22 -308.82 2.9 -8.62 -0.78 0
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132917 51446130 1 FSN3O3H22C27 ABC3D3E22F27 -43.21 2.9 -8.65 -1.28 -1
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132918 51446180 1 FOS2N4H20C25 ABC2D4E20F25 75.89 13.09 0.0 0.0 0
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132919 51446752 1 SN3O6C22H25 AB3C6D22E25 -223.72 4.41 -8.72 -0.72 0
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132920 51447073 1 N3O4H21C25 A3B4C21D25 -80.01 2.57 -9.07 -0.39 0
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132921 51447086 1 ClN3O3H20C21 AB3C3D20E21 -85.38 0.78 -9.52 -0.34 0
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132922 51447087 1 ClN3O3H20C21 AB3C3D20E21 -85.29 2.21 -9.5 -0.32 0
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132923 51447140 1 FIN3O3H17C19 ABC3D3E17F19 -109.9 4.67 -9.07 -1.03 -1
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132924 51447468 1 N2O7H23C26 A2B7C23D26 -95.28 6.93 0.0 0.0 0
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132925 51447591 1 N2O3H24C25 A2B3C24D25 -6.27 4.87 -8.14 -0.82 0
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132926 51447592 1 ON5C19H19 AB5C19D19 43.14 7.04 -9.24 -0.67 0
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132927 51447843 1 FN4O4H15C18 AB4C4D15E18 -41.15 5.43 -8.78 -1.11 0
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132928 51447997 1 Cl2N2O5H16C24 A2B2C5D16E24 -137.14 8.01 -9.17 -1.88 0
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132929 51448037 1 N3O5H17C25 A3B5C17D25 -90.72 6.58 -9.3 -1.75 0
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132930 51448038 1 N3O5H17C25 A3B5C17D25 -89.06 8.01 -9.16 -1.83 0
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132931 51448186 1 N2O5C27H28 A2B5C27D28 -160.72 6.64 -8.76 -0.39 0
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132932 51448384 1 F2N4O6C17H20 A2B4C6D17E20 -341.28 5.37 -9.68 -0.68 0
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132933 51448502 1 SF2N3O4H19C20 AB2C3D4E19F20 -221.36 4.21 -8.42 -0.49 0
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132934 51448503 1 F2N4O6H20C21 A2B4C6D20E21 -304.09 5.48 -8.47 -0.67 0
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132935 51448533 1 N3O3C22H31 A3B3C22D31 -152.26 6.35 -9.23 -0.12 0
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132936 51448684 1 N2O3C23H28 A2B3C23D28 -106.44 4.33 -8.56 -0.15 -1
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132937 51448978 1 N2O6C31H39 A2B6C31D39 -189.36 6.24 0.0 0.0 0
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132938 51448979 1 N2O6C31H40 A2B6C31D40 -211.73 7.61 -9.18 -0.4 -1
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132939 51448980 1 N2O4C27H33 A2B4C27D33 -120.27 5.85 0.0 0.0 -1
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132940 51448981 1 N2O6C31H39 A2B6C31D39 -189.35 6.17 0.0 0.0 0
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132941 51449023 1 SF2N3O3C24H25 AB2C3D3E24F25 -184.4 6.64 -8.98 -0.79 -1
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132942 51449448 1 OSN5H14C18 ABC5D14E18 166.08 7.89 0.0 0.0 0
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132943 51449449 1 OSN5H15C18 ABC5D15E18 135.95 5.69 -8.49 -1.0 -1
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132944 51449450 1 SN2O3H17C18 AB2C3D17E18 -18.42 2.89 0.0 0.0 -1
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132945 51449492 1 SN2O4H21C27 AB2C4D21E27 -20.0 6.3 0.0 0.0 -1
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132946 51450165 1 SN3O3H14C17 AB3C3D14E17 -3.5 5.9 0.0 0.0 -1
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132947 51450166 1 SN3O3H14C17 AB3C3D14E17 -3.37 5.8 0.0 0.0 -1
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132948 51450273 1 ClSN2O3H12C15 ABC2D3E12F15 -28.77 1.51 0.0 0.0 0
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132949 51450473 1 N2S2O6H20C21 A2B2C6D20E21 -147.58 2.86 -9.35 -0.88 -1
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132950 51451526 1 SO2N4H15C21 AB2C4D15E21 77.18 7.48 0.0 0.0 0
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132951 51451575 1 N2O5H24C27 A2B5C24D27 -136.28 5.53 -9.19 -1.69 0
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132952 51452068 1 ClFOSN4C21H22 ABCDE4F21G22 -24.96 4.83 -9.14 -1.01 0
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132953 51452138 1 SN2O4C21H22 AB2C4D21E22 -139.41 4.55 -9.13 -1.44 0
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132954 51452807 1 N3O3C30H49 A3B3C30D49 -176.64 1.36 -8.48 0.02 0
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132955 51453257 1 SO3N5C23H35 AB3C5D23E35 -93.63 1.87 -8.96 -0.66 0
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132956 51453258 1 SO3N5C26H41 AB3C5D26E41 -127.73 8.85 -8.94 -0.48 0
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132957 51453259 1 SO3N5C26H41 AB3C5D26E41 -127.58 5.64 -9.09 -0.6 0
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132958 51453260 1 SO3N5C27H39 AB3C5D27E39 -84.81 3.76 -8.81 -0.62 0
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132959 51453261 1 SO3N4C26H42 AB3C4D26E42 -124.21 4.34 -8.45 -0.02 -1
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132960 51453517 1 SN3O7H18C23 AB3C7D18E23 -83.41 4.86 0.0 0.0 1
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132961 51453911 1 FS2O3N4H22C23 AB2C3D4E22F23 -55.3 16.6 0.0 0.0 0
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132962 51453912 1 SO4N5C22H33 AB4C5D22E33 -136.03 4.52 -9.23 -0.68 -1
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132963 51453913 1 SN3O3C21H28 AB3C3D21E28 -111.2 6.35 0.0 0.0 1
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132964 51454342 1 O4N5C20H22 A4B5C20D22 -57.51 4.72 0.0 0.0 0
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132965 51454417 1 N2O3C29H30 A2B3C29D30 -43.91 1.9 -9.01 -0.43 0
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132966 51454418 1 BrN2O5C19H21 AB2C5D19E21 -199.42 4.3 -8.95 -0.66 0
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132967 51454494 2 NO2H11C13 AB2C11D13 -28.91 8.34 -8.61 -1.46 -1
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132968 51454551 1 N2O6H21C26 A2B6C21D26 -95.92 13.88 0.0 0.0 0
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132969 51454849 1 FN2O7H21C24 AB2C7D21E24 -177.66 13.2 -9.22 -1.52 0
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132970 51454978 1 S2N4O4C19H26 A2B4C4D19E26 -172.19 3.73 -8.74 -1.12 0
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132971 51455222 2 N2O3C11H17 A2B3C11D17 -283.12 2.36 -9.77 0.35 0
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132972 51455731 1 ClSN3O4H20C22 ABC3D4E20F22 -98.81 4.65 -8.94 -0.82 -1
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132973 51455757 1 SN5O8C16H16 AB5C8D16E16 -144.49 7.14 0.0 0.0 0
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132974 51455987 1 N2O2C17H20 A2B2C17D20 -46.56 2.93 -8.95 -0.56 0
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132975 51456092 1 OS2N5C9H11 AB2C5D9E11 45.14 3.14 -9.45 -0.93 -1
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132976 51457005 1 Cl2N4O5H17C24 A2B4C5D17E24 1.36 12.73 0.0 0.0 -2
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132977 51457006 1 ClSN3O4H20C26 ABC3D4E20F26 56.89 34.13 -7.15 -4.27 0
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132978 51457007 1 N4O5C25H40 A4B5C25D40 -193.75 5.16 -9.07 -0.13 0
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132979 51457284 1 O4N5C24H29 A4B5C24D29 -41.0 13.29 -9.68 -1.36 1
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132980 51457468 1 BrON3H21C23 ABC3D21E23 66.52 1.5 0.0 0.0 1
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132981 51457469 1 BrON3H21C23 ABC3D21E23 66.11 2.72 0.0 0.0 1
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132982 51457470 1 BrON3H21C23 ABC3D21E23 64.21 4.07 0.0 0.0 -1
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132983 51457865 1 BrO2N4C20H20 AB2C4D20E20 16.76 5.82 0.0 0.0 -1
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132984 51458339 1 FSN4O7H16C17 ABC4D7E16F17 -206.66 9.38 0.0 0.0 -1
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132985 51458348 1 SN3O5C18H18 AB3C5D18E18 -113.78 6.41 0.0 0.0 -1
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132986 51458436 1 SN3O4C27H28 AB3C4D27E28 -75.53 3.92 0.0 0.0 0
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132987 51458573 1 ClOSN4C17H17 ABCD4E17F17 50.07 5.14 -8.39 -0.88 0
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132988 51458879 1 S2O3N6C20H30 A2B3C6D20E30 -42.8 5.2 -8.65 -1.21 0
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132989 51458880 1 S2O3N6C20H30 A2B3C6D20E30 -42.33 5.39 -9.06 -1.46 0
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132990 51458913 1 BrON4H19C24 ABC4D19E24 119.62 5.81 -9.19 -1.25 -1
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132991 51459307 1 SO2N3H12C14 AB2C3D12E14 45.09 7.33 0.0 0.0 -1
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132992 51459412 1 NCl2O4H18C22 AB2C4D18E22 -83.83 3.59 0.0 0.0 -1
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132993 51459413 1 NCl2O4H18C22 AB2C4D18E22 -84.45 7.25 0.0 0.0 0
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132994 51459478 1 ClO4N5H18C22 AB4C5D18E22 60.98 3.47 -8.99 -1.73 0
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132995 51459511 1 NSO5C24H27 ABC5D24E27 -173.49 7.7 -9.42 -0.62 0
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132996 51459613 1 SN3O6C23H25 AB3C6D23E25 -141.47 3.32 -9.32 -1.34 -1
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132997 51459870 1 NO6H24C28 AB6C24D28 -90.11 12.21 0.0 0.0 0
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132998 51460097 1 SN4O4C22H24 AB4C4D22E24 -79.43 3.14 -8.94 -0.52 0
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132999 51460098 1 SO2N4C21H30 AB2C4D21E30 -48.19 4.51 -8.52 -0.37 0
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133000 51460177 1 OSN6C21H26 ABC6D21E26 37.2 6.92 -8.77 -0.72 0
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133001 51460314 1 SO2N5C22H35 AB2C5D22E35 -90.22 3.94 -8.57 -0.21 0
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133002 51460486 1 OBr2N2H16C22 AB2C2D16E22 79.24 2.38 -8.99 -0.69 0
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133003 51460487 1 N4O5C22H26 A4B5C22D26 -135.07 2.65 -8.66 -0.66 0
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133004 51460488 1 Cl2N2O2H18C23 A2B2C2D18E23 14.71 4.15 -8.78 -0.73 -1
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133005 51460928 1 F3N3O4H21C22 A3B3C4D21E22 -217.4 4.77 0.0 0.0 0
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133006 51460995 1 ON5H19C21 AB5C19D21 79.2 7.18 -8.32 -0.35 -1
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133007 51460996 1 SF3N4O4C16H18 AB3C4D4E16F18 -251.17 8.7 0.0 0.0 0
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133008 51461106 3 NO2H7C8 AB2C7D8 -102.61 9.9 -8.6 -1.17 0
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133009 51461107 3 NO2H7C8 AB2C7D8 -97.78 7.92 -8.24 -1.31 -1
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133010 51461395 1 NCl3O4H13C22 AB3C4D13E22 -46.7 4.21 0.0 0.0 0