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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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325972 126685848 2 O2C5H8 A2B5C8 -204.61 5.98 -10.76 0.45 0
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325973 126685856 2 NC7H16 AB7C16 -65.78 0.76 -9.22 3.2 0
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325974 126685859 2 NC7H16 AB7C16 -52.37 1.6 -8.87 3.35 0
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325975 126685861 1 O3H20C23 A3B20C23 -22.56 6.93 -8.91 -0.47 0
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325976 126685863 2 OH11C12 AB11C12 21.44 4.22 -8.55 -0.18 0
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325977 126685870 1 O2H30C33 A2B30C33 49.38 1.76 -8.42 -0.09 0
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325978 126685883 2 NO2C13H16 AB2C13D16 -19.3 0.53 -8.03 0.14 0
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325979 126685887 2 O3C17H21 A3B17C21 -187.55 2.73 -8.22 -0.1 0
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325980 126685888 2 O3C17H21 A3B17C21 -187.89 0.2 -8.12 0.12 0
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325981 126685891 1 ClO3N4C23H27 AB3C4D23E27 -89.23 4.55 -9.11 -0.98 0
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325982 126685893 1 ON2C9H18 AB2C9D18 -67.62 2.43 -8.87 1.17 0
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325983 126685898 1 OF5N7H22C23 AB5C7D22E23 -165.15 9.32 -9.03 -0.92 0
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325984 126685899 2 ON3C7H8 AB3C7D8 28.06 4.24 -9.02 -0.12 0
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325985 126685902 1 FNO4C25H28 ABC4D25E28 -173.52 9.67 -8.55 -0.86 0
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325986 126685905 1 ClSO2N4C23H25 ABC2D4E23F25 -12.78 9.41 -9.55 -1.38 0
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325987 126685908 1 O4C7H16 A4B7C16 -199.16 3.99 -10.09 1.34 0
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325988 126685917 1 S2N5O5H21C22 A2B5C5D21E22 -71.08 11.42 -9.38 -1.14 0
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325989 126685920 1 ION3C8H16 ABC3D8E16 -29.39 4.01 -8.57 -1.46 0
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325990 126685922 1 ClFO2N6C21H24 ABC2D6E21F24 -65.06 5.01 -8.82 -0.84 0
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325991 126685926 1 IN2O2C9H17 AB2C2D9E17 -80.48 2.51 -8.85 -1.55 0
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325992 126685927 1 ION3C9H18 ABC3D9E18 -31.9 3.36 -8.83 -1.49 0
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325993 126685929 1 ION3C8H16 ABC3D8E16 -26.91 3.51 -8.81 -1.58 0
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325994 126685931 1 IN2O2C8H15 AB2C2D8E15 -75.77 3.86 -8.83 -1.65 0
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325995 126685938 1 O5C15H18 A5B15C18 -210.17 4.13 -9.69 -0.12 0
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325996 126685939 1 FO2N3C18H28 AB2C3D18E28 -152.85 2.38 -8.62 0.1 0
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325997 126685943 1 Cl2N3O4C17H19 A2B3C4D17E19 -131.93 5.96 -9.27 -1.83 0
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325998 126685953 1 N4O5C21H24 A4B5C21D24 -155.85 8.52 -8.71 -0.82 0
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325999 126685955 1 N4O5C26H30 A4B5C26D30 -161.27 9.62 -8.59 -0.76 0
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326000 126685958 1 Cl2N4O5C25H32 A2B4C5D25E32 -227.1 10.97 -8.86 -0.91 0
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326001 126685967 1 N3O5C26H33 A3B5C26D33 -188.06 9.88 -8.68 -0.79 0
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326002 126685973 1 N2O5C18H20 A2B5C18D20 -176.98 11.35 -8.66 -0.64 0
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326003 126685986 1 N3O5C24H29 A3B5C24D29 -185.15 8.16 -8.62 -0.76 0
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326004 126685988 1 N3O5C28H37 A3B5C28D37 -200.46 8.55 -8.64 -0.79 0
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326005 126685996 1 ClN3O6C22H24 AB3C6D22E24 -224.68 8.43 -8.68 -1.06 0
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326006 126686001 1 ClN3O5C21H26 AB3C5D21E26 -209.47 13.55 -8.56 -0.91 0
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326007 126686002 1 N3O5C21H25 A3B5C21D25 -174.1 13.59 -8.49 -0.83 0
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326008 126686009 1 Cl2N4O5C24H32 A2B4C5D24E32 -230.22 12.44 -8.65 -0.76 0
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326009 126686015 1 ClN4O5C21H25 AB4C5D21E25 -204.3 10.02 -8.83 -0.91 0
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326010 126686016 1 N4O5C21H24 A4B5C21D24 -162.92 12.75 -8.54 -0.8 0
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326011 126686030 1 N2O5C19H20 A2B5C19D20 -176.89 11.89 -8.51 -0.68 0
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326012 126686032 1 N3O5C20H23 A3B5C20D23 -165.14 10.79 -8.42 -0.88 0
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326013 126686033 1 F3N3O7H20C22 A3B3C7D20E22 -376.27 6.21 -8.77 -1.04 0
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326014 126686042 1 ClN4O5C19H23 AB4C5D19E23 -194.24 12.62 -8.45 -0.65 0
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326015 126686044 1 Cl2N4O6C21H26 A2B4C6D21E26 -251.84 11.29 -8.43 -0.89 0
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326016 126686057 1 Cl2N4O5C25H32 A2B4C5D25E32 -235.43 9.02 -8.64 -0.79 0
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326017 126686066 1 N3O5C23H25 A3B5C23D25 -148.6 8.94 -8.62 -0.78 0
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326018 126686067 1 ClN3O5C22H28 AB3C5D22E28 -209.25 11.4 -8.52 -0.73 0
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326019 126686068 1 N3O5C22H27 A3B5C22D27 -174.4 12.94 -8.46 -0.62 0
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326020 126686070 1 N4O5C23H28 A4B5C23D28 -156.86 8.98 -8.68 -0.8 0
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326021 126686071 1 N2O4C17H18 A2B4C17D18 -128.73 8.63 -8.48 -0.79 0
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326022 126686073 1 N3O5C19H21 A3B5C19D21 -165.78 7.22 -8.45 -0.77 0
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326023 126686074 1 ClN3O5C21H24 AB3C5D21E24 -196.16 10.35 -8.58 -0.76 0
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326024 126686077 2 N2O3C11H13 A2B3C11D13 -187.95 7.66 -8.61 -1.04 0
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326025 126686083 1 N3O5C21H23 A3B5C21D23 -163.39 7.37 -8.75 -0.85 0
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326026 126686084 1 ClN4O5C20H23 AB4C5D20E23 -183.48 10.54 -8.37 -0.72 0
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326027 126686091 1 ClN4O5C20H25 AB4C5D20E25 -194.46 14.25 -8.41 -0.56 0
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326028 126686098 1 N3O6C20H23 A3B6C20D23 -200.72 12.05 -8.62 -0.78 0
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326029 126686107 1 ClN3O6C21H24 AB3C6D21E24 -236.77 3.43 -8.75 -1.15 0
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326030 126686127 1 N4O5C20H22 A4B5C20D22 -151.19 9.83 -8.22 -0.8 0
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326031 126686128 1 ClN3O5C23H28 AB3C5D23E28 -207.5 14.34 -8.37 -0.58 0
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326032 126686143 1 N2O5C17H18 A2B5C17D18 -171.68 11.04 -8.64 -0.75 0
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326033 126686144 1 ClN3O5C22H24 AB3C5D22E24 -176.1 5.92 -8.85 -0.92 0
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326034 126686152 1 ClN3O5C23H28 AB3C5D23E28 -207.69 9.0 -8.65 -0.81 0
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326035 126686153 1 N3O5C23H27 A3B5C23D27 -176.04 8.61 -8.68 -0.81 0
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326036 126686156 1 ClN4O5C21H25 AB4C5D21E25 -199.14 4.07 -8.76 -0.98 0
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326037 126686160 1 ClN4O5C19H21 AB4C5D19E21 -169.18 10.29 -8.86 -1.02 0
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326038 126686162 1 ClN3O5C20H24 AB3C5D20E24 -204.43 13.67 -8.49 -0.66 0
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326039 126686163 1 N3O5C20H23 A3B5C20D23 -172.99 10.83 -8.56 -0.72 0
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326040 126686174 1 N4O5H24C25 A4B5C24D25 -123.43 8.89 -8.78 -0.86 0
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326041 126686177 2 NO3C13H27 AB3C13D27 -383.21 6.78 -9.78 0.23 0
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326042 126686179 1 N3O6C19H19 A3B6C19D19 -188.02 6.9 -8.56 -1.02 0
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326043 126686184 3 NO2C7H7 AB2C7D7 -172.48 7.7 -8.63 -0.91 0
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326044 126686189 1 N3O5C22H25 A3B5C22D25 -175.87 12.23 -8.6 -0.73 0
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326045 126686191 1 N3O5C23H25 A3B5C23D25 -152.86 10.1 -8.68 -0.81 0
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326046 126686201 1 N3O5C21H23 A3B5C21D23 -164.5 8.82 -8.58 -0.72 0
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326047 126686208 1 ClN3O6C21H24 AB3C6D21E24 -239.09 9.74 -8.97 -1.0 0
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326048 126686221 1 N3O7C22H25 A3B7C22D25 -236.16 8.3 -8.36 -0.86 0
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326049 126686222 1 ClN3O7C21H24 AB3C7D21E24 -275.02 7.46 -8.49 -0.95 0
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326050 126686223 1 N3O7C21H23 A3B7C21D23 -242.39 7.16 -8.71 -1.12 0
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326051 126686225 1 N3O6C22H23 A3B6C22D23 -175.51 7.14 -8.48 -0.94 0
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326052 126686237 3 NO2C8H9 AB2C8D9 -204.32 9.08 -8.66 -0.81 0
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326053 126686245 1 ClN3O7C20H22 AB3C7D20E22 -265.38 7.86 -8.82 -1.17 0
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326054 126686248 1 N4O5C25H30 A4B5C25D30 -161.63 8.93 -8.69 -0.81 0
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326055 126686279 2 NOH17C26 ABC17D26 354.61 3.79 -7.89 -1.11 1
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326056 126686282 1 SN8C19H27 AB8C19D27 127.93 4.96 0.0 0.0 0
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326057 126686284 2 NC7H11 AB7C11 14.55 0.44 -6.87 -0.01 0
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326058 126686285 2 NC7H11 AB7C11 33.3 1.94 -8.23 -0.6 0
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326059 126686288 1 N3O7C23H27 A3B7C23D27 -171.85 2.85 -8.88 -0.21 0
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326060 126686290 1 N3O7C24H29 A3B7C24D29 -176.15 3.42 -8.85 -0.22 0
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326061 126686292 1 SO2N7C26H29 AB2C7D26E29 47.46 7.0 -9.03 -1.46 0
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326062 126686303 1 OSN8C28H34 ABC8D28E34 83.04 7.16 -8.39 -1.45 0
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326063 126686305 1 ClOSN8C28H33 ABCD8E28F33 76.71 4.79 -8.41 -1.66 0
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326064 126686306 1 FO3N4H25C28 AB3C4D25E28 -69.93 5.04 -9.11 -0.3 0
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326065 126686323 1 O4N5C23H29 A4B5C23D29 -134.63 3.73 -9.43 -0.27 0
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326066 126686331 1 ClN4O5H23C24 AB4C5D23E24 -134.52 5.09 -9.41 -1.09 0
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326067 126686338 1 O3N4C26H34 A3B4C26D34 -98.92 5.27 -9.34 -0.11 0
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326068 126686339 1 ClSN4O5C23H23 ABC4D5E23F23 -141.25 6.47 -9.51 -1.1 0
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326069 126686342 1 ClO3N4C23H23 AB3C4D23E23 -62.89 2.52 -9.46 -0.42 0
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326070 126686345 1 ClO3N4C24H25 AB3C4D24E25 -73.82 5.09 -9.2 -0.29 0
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326071 126686346 1 F3N5O5H26C29 A3B5C5D26E29 -189.65 11.11 -8.57 -1.22 0