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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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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