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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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86027 49881127 1 ClSO3N4C23H25 ABC3D4E23F25 -55.79 3.24 -8.76 -0.78 0
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86028 49881129 1 SN4O5C25H26 AB4C5D25E26 -96.32 6.42 -8.99 -0.72 0
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86029 49881132 1 SO4N5C17H19 AB4C5D17E19 -70.81 6.52 -8.81 -0.65 0
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86030 49881145 1 SCl2O3N4H20C25 AB2C3D4E20F25 -10.1 5.97 -9.01 -1.1 0
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86031 49881149 1 S2N3O3H17C18 A2B3C3D17E18 -6.48 2.09 -8.75 -1.15 0
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86032 49881151 1 ClSO3N4C22H23 ABC3D4E22F23 -46.26 1.23 -8.91 -0.47 0
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86033 49881152 1 ClSO3N4C22H23 ABC3D4E22F23 -48.85 3.44 -8.79 -0.8 0
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86034 49881161 1 S2N5O6C26H29 A2B5C6D26E29 -121.75 8.44 -9.05 -1.1 0
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86035 49881180 1 SN4O4C24H28 AB4C4D24E28 -79.73 7.84 -8.78 -0.71 0
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86036 49881188 1 SN3O3H23C26 AB3C3D23E26 22.12 2.42 -8.73 -1.03 0
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86037 49881198 1 SN4O6H20C25 AB4C6D20E25 -26.47 5.44 -9.04 -1.3 0
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86038 49881199 1 FSO3N4H21C25 ABC3D4E21F25 -36.34 7.62 -8.78 -1.06 0
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86039 49881200 1 SO3N4H26C27 AB3C4D26E27 -0.62 3.73 -8.63 -1.06 0
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86040 49881205 1 SO3N4C22H24 AB3C4D22E24 -20.66 3.69 -8.91 -0.46 0
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86041 49881210 1 SN4O5C23H26 AB4C5D23E26 -107.36 5.14 -8.46 -0.81 0
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86042 49881215 1 SN3O5H21C22 AB3C5D21E22 -90.8 5.47 -9.02 -0.99 0
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86043 49881217 1 SCl2O3N4H22C23 AB2C3D4E22F23 -28.91 7.12 -8.97 -0.8 0
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86044 49881229 1 SO2N3H21C24 AB2C3D21E24 51.59 5.77 -8.85 -0.76 0
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86045 49881258 1 BrSO3N4C21H21 ABC3D4E21F21 -28.88 5.16 -8.9 -0.81 -2
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86047 49881321 1 SN3O4C19H25 AB3C4D19E25 -120.08 2.94 -8.89 -0.35 0
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86048 49881324 1 SN4O4C23H26 AB4C4D23E26 -77.23 5.33 -8.52 -0.66 0
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86049 49881332 1 ClSO3N4H25C27 ABC3D4E25F27 -15.87 4.3 -8.83 -0.92 0
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86050 49881333 1 ClSN4O5H25C27 ABC4D5E25F27 -72.48 6.59 -8.26 -0.84 0
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86051 49881356 1 ClSN3O4H22C26 ABC3D4E22F26 -34.16 5.58 -8.71 -0.53 0
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86052 49881357 1 SN3O4H23C26 AB3C4D23E26 -18.18 5.29 -8.62 -0.63 0
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86053 49881360 1 SO3N4C30H32 AB3C4D30E32 -17.75 2.32 -8.78 -0.55 0
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86054 49881391 1 S2N5O6H27C28 A2B5C6D27E28 -102.82 10.39 -9.1 -1.24 0
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86055 49881412 1 SO3N6H22C25 AB3C6D22E25 45.56 8.77 -8.63 -1.15 0
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86056 49881413 1 S2O3N5H21C25 A2B3C5D21E25 46.39 8.21 -8.69 -1.4 0
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86057 49881420 1 SO3N4C23H26 AB3C4D23E26 -33.83 4.11 -9.03 -0.6 0
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86058 49881438 1 ClS2O3N5H20C26 AB2C3D5E20F26 31.21 4.16 -8.74 -1.17 -2
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86059 49881473 1 SBr2O2N4C18H18 AB2C2D4E18F18 185.63 2.9 -8.18 -7.11 0
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86060 49881484 1 S2N5O5C27H33 A2B5C5D27E33 -120.16 8.99 -9.07 -1.01 0
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86061 49881529 2 OSN2C11H13 ABC2D11E13 -3.29 5.73 -8.41 -0.57 0
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86062 49881530 1 O2S2N4C19H24 A2B2C4D19E24 0.32 3.53 -9.06 -0.69 0
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86063 49881554 1 O2S2N3H19C21 A2B2C3D19E21 48.55 4.92 -8.92 -1.14 0
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86064 49881555 1 ClOS2N4C21H23 ABC2D4E21F23 26.7 8.81 -8.74 -0.87 -2
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86065 49881564 1 Br2S2N4C17H18 A2B2C4D17E18 264.6 6.75 -8.73 -8.0 0
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86066 49881565 1 S2N4C17H18 A2B4C17D18 107.38 6.22 -8.76 -0.66 0
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86067 49881573 1 O2S2N3C20H21 A2B2C3D20E21 -1.08 9.06 -8.87 -0.88 0
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86068 49881579 1 O3S3N5C26H31 A3B3C5D26E31 -30.03 15.69 -9.15 -1.07 0
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86069 49881582 1 ClOS2N4C22H23 ABC2D4E22F23 49.13 4.83 -8.68 -0.73 0
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86070 49881603 1 ClS2O3N4C21H23 AB2C3D4E21F23 -37.78 8.15 -8.27 -0.7 0
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86071 49881630 2 SN2O2C10H10 AB2C2D10E10 1.47 8.17 -8.81 -1.4 0
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86072 49881638 2 OSN2C11H13 ABC2D11E13 -7.81 6.39 -8.17 -0.58 0
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86073 49881663 1 O3S3N5C25H31 A3B3C5D25E31 -52.16 8.82 -9.1 -0.89 0
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86074 49881665 2 OSN2C11H13 ABC2D11E13 -2.82 9.07 -8.24 -0.64 0
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86075 49881669 1 O2S2N3H21C23 A2B2C3D21E23 62.26 8.24 -9.01 -1.19 0
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86076 49881680 1 ClS2O3N4C22H23 AB2C3D4E22F23 -8.82 9.12 -8.4 -0.9 0
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86077 49881689 1 OS2N4C19H26 AB2C4D19E26 4.47 5.75 -8.83 -0.5 0
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86078 49881693 1 OS2N3C21H23 AB2C3D21E23 41.23 2.71 -8.85 -0.59 0
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86079 49881695 1 ClOS2N4C21H23 ABC2D4E21F23 26.02 6.96 -8.96 -0.7 0
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86080 49881702 1 ClO2S2N4C23H25 AB2C2D4E23F25 8.0 9.33 -8.24 -0.64 0
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86081 49881703 1 OS2N4C20H22 AB2C4D20E22 44.6 7.05 -8.87 -0.75 0
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86082 49881708 1 O2S2N3C21H21 A2B2C3D21E21 39.1 8.71 -8.87 -0.82 0
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86083 49881712 1 OS2N6H22C24 AB2C6D22E24 125.55 8.1 -8.65 -1.01 0
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86084 49881725 1 OS2N4C23H28 AB2C4D23E28 23.5 9.39 -9.08 -0.78 0
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86085 49881730 1 OS2N4C22H30 AB2C4D22E30 7.21 6.3 -9.03 -0.69 0
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86086 49881740 1 S2N4O4H20C21 A2B4C4D20E21 29.7 8.72 -9.07 -1.27 0
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86087 49881761 1 S2O3N4C25H28 A2B3C4D25E28 -35.13 10.55 -9.11 -0.82 0
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86088 49881764 1 OCl2S2N4C22H22 AB2C2D4E22F22 37.89 9.92 -9.17 -0.89 0
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86089 49881767 1 BrS2N3C18H18 AB2C3D18E18 93.36 6.04 -9.18 -0.74 0
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86090 49881769 1 ClO2S2N4H23C26 AB2C2D4E23F26 33.85 7.44 -8.93 -1.19 0
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86091 49881779 1 OS2N3C20H21 AB2C3D20E21 50.11 2.93 -8.62 -0.75 0
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86092 49881791 1 S2O3N4C23H26 A2B3C4D23E26 -9.97 5.17 -8.24 -0.52 0
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86093 49881792 1 OS2N4C22H24 AB2C4D22E24 53.53 5.54 -8.62 -0.57 0
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86094 49881799 1 O2S2N3H19C20 A2B2C3D19E20 34.56 9.41 -8.99 -1.0 0
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86095 49881804 1 OS2N4C26H26 AB2C4D26E26 74.32 8.63 -8.93 -0.74 0
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86096 49881815 1 OS2N4C21H30 AB2C4D21E30 -17.32 1.62 -8.57 -0.54 0
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86097 49881828 1 OS2N3C21H25 AB2C3D21E25 42.08 6.79 -8.66 -0.61 0
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86098 49881829 1 OS2N4C21H24 AB2C4D21E24 32.94 5.82 -8.45 -0.72 0
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86099 49881835 2 OSN2C11H12 ABC2D11E12 27.33 5.12 -8.66 -0.52 0
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86100 49881836 1 O2S2N4H22C23 A2B2C4D22E23 48.06 6.25 -8.92 -0.83 0
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86101 49881845 1 ClOS2N4C21H23 ABC2D4E21F23 23.3 4.48 -8.78 -0.45 0
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86102 49881847 1 S2O3N4C23H26 A2B3C4D23E26 -53.42 5.18 -8.89 -0.72 0
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86103 49881856 1 OS2N4C25H30 AB2C4D25E30 42.15 7.79 -8.93 -0.65 0
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86104 49881859 1 FOS2N4C20H21 ABC2D4E20F21 -3.3 4.18 -8.94 -0.67 0
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86105 49881867 2 OSN2C11H12 ABC2D11E12 15.57 6.12 -8.84 -0.67 0
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86106 49881877 1 ClO2S2N4C21H23 AB2C2D4E21F23 -8.36 9.29 -8.23 -0.67 0
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86107 49881881 1 OCl2S2N4C21H22 AB2C2D4E21F22 13.01 7.58 -8.91 -0.64 0
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86108 49881882 1 BrOS2N4C21H23 ABC2D4E21F23 37.43 9.74 -8.83 -0.58 0
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86109 49881914 1 O2S2N3C22H23 A2B2C3D22E23 31.49 2.1 -8.55 -0.59 0
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86110 49881917 1 OS2N3C23H27 AB2C3D23E27 53.67 7.97 -8.59 -0.54 0
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86111 49881926 1 O2S2N4C23H26 A2B2C4D23E26 23.97 7.14 -8.51 -0.66 0
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86112 49881927 1 ClOS2N4C22H23 ABC2D4E22F23 47.68 5.21 -8.88 -0.81 0
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86113 49881968 2 OSN2C13H13 ABC2D13E13 28.86 5.09 -8.51 -0.62 0
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86114 49881978 1 OS2N4C24H28 AB2C4D24E28 40.12 1.7 -8.65 -0.65 0
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86115 49881985 1 S2N3O3C20H21 A2B3C3D20E21 -2.18 7.52 -8.91 -0.81 0
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86116 49881987 1 OS2N4C25H30 AB2C4D25E30 46.58 4.53 -9.1 -0.81 0
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86117 49882002 1 S2N4O4H18C19 A2B4C4D18E19 12.8 7.57 -8.78 -1.42 0
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86118 49882009 1 O2S2N3C21H23 A2B2C3D21E23 0.23 6.65 -8.8 -0.48 0
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86119 49882010 1 SN3O5H19C20 AB3C5D19E20 -110.97 2.73 -8.94 -0.93 0
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86120 49882011 1 SN4O5C22H24 AB4C5D22E24 -93.41 0.89 -8.26 -0.84 0
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86121 49882028 1 SCl2O3N4H20C25 AB2C3D4E20F25 -1.48 5.03 -8.87 -1.01 0
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86122 49882029 1 O3S3N4C22H24 A3B3C4D22E24 -39.29 7.32 -8.71 -0.85 0
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86123 49882079 1 SN3O4C20H25 AB3C4D20E25 -93.43 5.55 -8.89 -0.51 0
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86124 49882084 1 SN3O3H25C29 AB3C3D25E29 29.85 3.7 -8.44 -0.78 0
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86125 49882087 1 S2N3O3C17H17 A2B3C3D17E17 -11.45 6.47 -8.93 -0.87 0
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86126 49882089 2 OSN2C10H11 ABC2D10E11 11.44 4.36 -8.62 -0.53 0
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86127 49882092 2 OSN2C9H12 ABC2D9E12 -24.26 3.96 -9.07 -0.68 0