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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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165992 74622298 1 ON4C16H24 AB4C16D24 -22.53 3.32 -9.28 -0.28 1
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165993 74622299 1 N4O4C25H35 A4B4C25D35 -117.7 3.08 0.0 0.0 1
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165994 74622300 1 ClON2C20H26 ABC2D20E26 -11.05 4.53 0.0 0.0 0
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165995 74622301 1 ClNO7C22H22 ABC7D22E22 -237.62 5.52 -8.8 -1.28 1
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165996 74622302 1 S2F3N3O4C19H25 A2B3C3D4E19F25 -251.9 11.3 0.0 0.0 0
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165997 74623658 1 N2O2C23H28 A2B2C23D28 -63.82 6.29 -8.8 -0.88 0
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165998 74623792 2 O2C11H12 A2B11C12 -132.12 4.39 -9.1 -0.69 1
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165999 74623893 1 ON5C24H32 AB5C24D32 30.88 1.84 0.0 0.0 1
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166000 74623952 1 FN3O4C25H27 AB3C4D25E27 -132.34 5.98 0.0 0.0 1
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166001 74623953 1 SCl2N4O4C16H21 AB2C4D4E16F21 -131.87 6.45 0.0 0.0 1
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166002 74623954 1 OS2N5C16H24 AB2C5D16E24 54.07 10.8 0.0 0.0 1
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166003 74624050 1 O3N5C23H32 A3B5C23D32 -56.3 4.66 0.0 0.0 1
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166004 74624426 1 S2N3O3C19H24 A2B3C3D19E24 -31.08 8.73 0.0 0.0 1
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166005 74624894 1 N3O4C22H30 A3B4C22D30 -95.24 7.17 0.0 0.0 1
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166006 74625084 1 SO2N3C20H26 AB2C3D20E26 -50.08 4.63 0.0 0.0 0
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166007 74625769 1 FON7C21H26 ABC7D21E26 10.87 5.57 -8.77 -0.92 0
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166008 74625992 1 ON3C23H29 AB3C23D29 -0.29 3.95 -7.71 -0.43 0
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166009 74626165 1 BrFN2O2C21H22 ABC2D2E21F22 -58.31 2.89 -8.82 -0.86 0
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166010 74626249 1 N3O6C25H27 A3B6C25D27 -142.62 4.57 -8.48 -0.97 0
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166011 74626250 1 ClFNO6C22H23 ABCD6E22F23 -227.96 4.09 -8.17 -0.88 0
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166012 74626302 1 ClON3C19H26 ABC3D19E26 -17.3 3.6 -8.85 0.33 1
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166013 74626424 1 N4O4C18H33 A4B4C18D33 -191.08 4.48 0.0 0.0 0
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166014 74626425 2 N2O2C9H16 A2B2C9D16 -214.55 6.6 -9.41 0.79 0
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166015 74626426 1 N3O4H17C19 A3B4C17D19 -50.18 7.01 -9.66 -1.41 0
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166016 74626427 1 N2O4H20C21 A2B4C20D21 -94.32 7.85 -8.59 -0.93 0
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166017 74626519 1 N3O7C23H25 A3B7C23D25 -252.03 8.03 -9.05 -0.3 1
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166018 74627167 1 SN2O3C18H25 AB2C3D18E25 -63.48 4.76 0.0 0.0 0
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166019 74627168 1 SN2O3C18H24 AB2C3D18E24 -77.59 7.5 -8.68 0.08 1
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166020 74627169 1 OCl2N2S2C13H15 AB2C2D2E13F15 21.67 6.13 0.0 0.0 1
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166021 74627175 1 SO2N4C19H23 AB2C4D19E23 2.05 2.13 0.0 0.0 1
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166022 74627203 1 OS2N4C18H21 AB2C4D18E21 50.72 8.23 0.0 0.0 1
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166023 74627233 1 OSN3C18H20 ABC3D18E20 67.63 17.77 0.0 0.0 1
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166024 74627261 1 SN2O2C17H21 AB2C2D17E21 -9.04 1.24 0.0 0.0 1
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166025 74627466 1 N2O3C21H25 A2B3C21D25 -56.36 5.79 0.0 0.0 1
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166026 74627497 1 N2O3C22H29 A2B3C22D29 -52.8 3.05 0.0 0.0 1
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166027 74627547 1 OSN3C18H22 ABC3D18E22 55.02 4.55 0.0 0.0 0
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166028 74627626 1 N3O4C25H37 A3B4C25D37 -147.4 2.18 -8.32 -0.27 0
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166029 74627739 1 NSO4C23H27 ABC4D23E27 -99.36 11.35 -8.9 -0.64 1
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166030 74627809 1 BrFOS2N3H16C21 ABCD2E3F16G21 59.56 5.61 0.0 0.0 1
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166031 74628034 1 N2O5C22H27 A2B5C22D27 -140.53 8.07 0.0 0.0 0
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166032 74628055 1 O2N3C16H23 A2B3C16D23 -71.47 2.32 -8.9 0.39 0
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166033 74628332 1 N2O4C23H38 A2B4C23D38 -202.44 1.33 -8.21 0.27 0
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166034 74628610 1 SN3O3H19C24 AB3C3D19E24 -3.04 6.75 -8.75 -1.32 1
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166035 74628611 1 N2O6C24H29 A2B6C24D29 -238.09 4.39 0.0 0.0 0
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166036 74628612 2 NO3C12H14 AB3C12D14 -230.89 1.02 -8.66 -0.25 0
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166037 74629240 1 S2N3O4C16H19 A2B3C4D16E19 -83.72 6.5 -9.52 -2.29 0
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166038 74629241 1 O4N5C23H25 A4B5C23D25 -41.35 6.34 -9.36 -1.17 1
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166039 74629242 1 BrFON2C19H21 ABCD2E19F21 -35.89 6.01 0.0 0.0 1
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166040 74629243 1 OF3N3C19H21 AB3C3D19E21 -137.55 5.45 0.0 0.0 0
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166041 74629396 1 N2F3O5H11C14 A2B3C5D11E14 -328.49 7.02 -9.64 -1.72 0
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166042 74629441 1 SO2N3C11H11 AB2C3D11E11 5.24 4.07 -9.11 -1.56 0
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166043 74629442 1 BrN2S2O3C17H21 AB2C2D3E17F21 -87.62 4.54 -9.06 -1.16 0
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166044 74629579 1 SO2N3C19H27 AB2C3D19E27 -84.66 5.53 -9.05 -0.51 0
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166045 74629822 1 SN2O5C23H30 AB2C5D23E30 -167.53 7.15 -9.21 -0.76 0
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166046 74630086 1 SN3O3C25H27 AB3C3D25E27 -55.26 7.45 -8.24 -0.71 1
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166047 74630246 1 F3O3N4C17H22 A3B3C4D17E22 -148.54 5.07 0.0 0.0 0
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166048 74630247 1 SF3O3N4C21H23 AB3C3D4E21F23 -219.5 8.42 -8.99 -0.88 1
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166049 74630369 1 ClOSN4C19H24 ABCD4E19F24 18.37 8.09 0.0 0.0 0
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166050 74630370 1 ClOSN4C19H23 ABCD4E19F23 -9.41 6.79 -8.49 -0.34 1
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166051 74630371 1 ClOSN4C20H26 ABCD4E20F26 24.97 10.7 0.0 0.0 1
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166052 74630496 1 FOSN5C22H23 ABCD5E22F23 84.02 18.15 0.0 0.0 0
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166053 74630930 1 ClSN3O5C17H22 ABC3D5E17F22 -154.92 5.48 -9.07 -0.4 0
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166054 74630931 1 O2N3H19C24 A2B3C19D24 64.1 4.88 -8.8 -1.84 0
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166055 74630932 1 O2N3C23H33 A2B3C23D33 -102.17 1.98 -8.67 0.42 1
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166056 74630933 1 N3O4C26H34 A3B4C26D34 -107.56 4.51 0.0 0.0 -2
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166057 74631196 1 N2O7H14C20 A2B7C14D20 -92.67 5.97 -10.42 -1.6 0
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166058 74631233 1 BrO2N4C15H21 AB2C4D15E21 -36.92 4.15 -8.9 -0.63 -1
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166059 74631234 1 SN3O4H16C22 AB3C4D16E22 35.57 21.08 0.0 0.0 0
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166060 74631709 1 SO4N5C23H29 AB4C5D23E29 -96.27 12.28 -9.0 -1.58 0
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166061 74631748 1 SN2O4C21H26 AB2C4D21E26 -106.89 4.68 -9.62 -1.24 0
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166062 74631749 1 N2O3C17H22 A2B3C17D22 -71.47 9.09 -9.86 -1.37 0
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166063 74631750 1 N2O3C22H32 A2B3C22D32 -122.72 3.19 -9.38 -0.3 0
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166064 74632226 1 N2O2C25H26 A2B2C25D26 -41.76 4.92 -9.09 -0.87 0
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166065 74632231 1 OS3N5C21H21 AB3C5D21E21 97.0 2.2 -8.5 -1.09 0
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166066 74632338 1 NF3O3C22H22 AB3C3D22E22 -258.71 7.35 -9.44 -0.41 0
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166067 74632606 1 ClN3O4C21H22 AB3C4D21E22 -29.12 5.17 -8.95 -1.56 0
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166068 74632607 1 ClN3O3C22H30 AB3C3D22E30 -131.94 6.92 -8.99 -0.17 0
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166069 74633591 1 SN4O4H22C23 AB4C4D22E23 -74.41 3.42 -8.31 -0.81 1
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166070 74633776 1 F2O2N4C22H27 A2B2C4D22E27 -128.81 4.96 0.0 0.0 1
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166071 74633940 1 SF2N2O2C19H25 AB2C2D2E19F25 -124.78 4.87 0.0 0.0 0
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166072 74634081 1 F3N3O5C14H14 A3B3C5D14E14 -355.2 3.74 -9.51 -0.89 0
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166073 74634731 1 SN3O4H11C12 AB3C4D11E12 -89.79 7.1 -9.36 -1.78 0
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166074 74634942 1 N3O3C10H13 A3B3C10D13 -92.89 7.97 -9.96 -1.45 0
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166075 74634943 1 N3O4C9H11 A3B4C9D11 -119.75 6.6 -9.97 -1.57 1
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166076 74635090 1 SCl2N3O4C18H24 AB2C3D4E18F24 -163.95 7.24 0.0 0.0 -1
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166077 74635166 1 FNO6H23C30 ABC6D23E30 -119.37 9.09 0.0 0.0 0
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166078 74635167 1 FNO6H24C30 ABC6D24E30 -144.4 9.32 -9.03 -0.91 -1
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166079 74635168 1 FN2O7H16C23 AB2C7D16E23 -108.6 8.64 0.0 0.0 0
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166080 74635169 1 FN2O7H17C23 AB2C7D17E23 -135.99 10.66 -9.69 -1.47 -1
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166081 74635170 1 FN2O7H16C23 AB2C7D16E23 -109.82 4.84 0.0 0.0 0
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166082 74635171 1 FN2O7H17C23 AB2C7D17E23 -137.44 4.5 -9.6 -1.62 -1
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166083 74635172 1 FNO7H19C25 ABC7D19E25 -189.24 6.39 0.0 0.0 0
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166084 74635173 1 FNO7H20C25 ABC7D20E25 -215.82 8.37 -9.5 -0.98 0
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166085 74635386 1 ClNO3H16C18 ABC3D16E18 -77.7 1.13 -9.56 -0.63 1
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166086 74635647 1 N3O5C19H24 A3B5C19D24 -69.31 5.45 0.0 0.0 1
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166087 74635658 1 O4N6C21H23 A4B6C21D23 -59.77 2.99 0.0 0.0 0
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166088 74636513 1 FSN3O5H18C19 ABC3D5E18F19 -93.61 8.74 -9.38 -1.8 0
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166089 74636528 1 SN3O4C18H25 AB3C4D18E25 -131.35 3.89 -8.78 -0.42 0
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166090 74636898 1 ClN2O5H15C17 AB2C5D15E17 -149.92 3.76 -9.49 -1.15 -1
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166091 74636899 1 ClSN2O5H18C19 ABC2D5E18F19 -124.01 2.07 0.0 0.0 0