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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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85230 49872626 1 PN8O11C39H61 AB8C11D39E61 -570.9 6.62 -9.47 -0.51 0
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85231 49872628 1 PN9O11C34H52 AB9C11D34E52 -539.49 11.3 -8.93 -0.43 0
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85233 49872645 1 FON7H20C24 ABC7D20E24 43.83 3.63 -9.48 -1.4 0
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85234 49872646 1 FON8H25C27 ABC8D25E27 62.21 3.79 -9.3 -1.24 0
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85235 49872656 1 NO2F6H25C29 AB2C6D25E29 -321.61 3.59 -9.39 -1.0 0
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85236 49872682 1 O2N5C18H19 A2B5C18D19 35.72 2.42 -8.83 -0.98 0
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85237 49872768 1 ClON4H15C18 ABC4D15E18 89.32 4.4 -8.92 -1.41 0
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85238 49872773 1 ON5C17H17 AB5C17D17 76.51 1.65 -9.47 -1.06 0
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85239 49872782 1 Br3Cl3N5H7C11 A3B3C5D7E11 71.63 2.34 -9.31 -1.79 0
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85240 49872791 1 NF3O4C27H28 AB3C4D27E28 -297.03 6.08 -8.48 -0.59 0
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85241 49872814 1 PN8O9C38H61 AB8C9D38E61 -474.25 5.63 -9.3 -0.06 0
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85242 49872863 2 ON2C10H10 AB2C10D10 57.12 1.99 -8.91 -1.42 0
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85243 49872919 1 O2N4C27H32 A2B4C27D32 -40.12 6.95 -8.22 -0.86 0
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85244 49872930 1 OSN4H16C17 ABC4D16E17 38.49 7.2 -8.75 -0.8 0
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85245 49872931 1 OSN4C18H18 ABC4D18E18 28.8 5.03 -8.77 -0.74 0
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85246 49872949 1 FN2H13C14 AB2C13D14 121.87 2.06 -8.83 -0.12 0
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85247 49872959 1 NSO4C25H27 ABC4D25E27 -102.2 4.61 -8.62 -1.37 0
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85250 49873020 1 S4N18O31C106H133 A4B18C31D106E133 -1217.09 15.93 0.0 0.0 1
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85251 49873021 1 S4N18O31C106H133 A4B18C31D106E133 -1176.09 18.34 0.0 0.0 1
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85253 49873147 1 O2C33H48 A2B33C48 -110.72 2.84 -8.65 0.46 0
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85254 49873151 1 FON8H19C23 ABC8D19E23 57.78 6.86 -9.41 -1.43 0
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85255 49873160 1 NO3C16H23 AB3C16D23 -125.33 3.02 -8.71 0.34 0
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85256 49873164 1 O5C16H22 A5B16C22 -226.92 9.54 -9.32 -0.4 0
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85257 49873169 1 O2N3C23H31 A2B3C23D31 -60.91 8.05 -8.99 -0.78 0
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85258 49873170 1 O2N3C25H33 A2B3C25D33 -55.43 7.46 -8.96 -0.62 0