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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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84199 49865014 1 BrNO3H22C24 ABC3D22E24 -34.82 4.58 -8.22 -0.96 0
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84200 49865026 1 N3O3H21C23 A3B3C21D23 1.55 4.82 -8.07 -0.98 0
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84201 49865027 1 O3N4C24H24 A3B4C24D24 -6.36 8.65 -8.27 -0.65 0
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84202 49865028 1 N3O4H21C23 A3B4C21D23 -42.64 5.22 -8.01 -0.95 0
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84203 49865029 1 FN5O6C25H28 AB5C6D25E28 -218.02 4.92 -8.65 -0.68 0
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84204 49865030 1 F2N5O5H27C28 A2B5C5D27E28 -203.29 3.74 -8.68 -0.7 0
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84205 49865031 1 FO3N5C15H20 AB3C5D15E20 -108.41 3.37 -8.77 -0.45 0
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84206 49865032 1 FO3N5C16H22 AB3C5D16E22 -125.89 2.09 -8.77 -0.39 0
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84207 49865033 1 SN2O3C18H18 AB2C3D18E18 -47.79 7.11 -9.11 -0.94 0
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84208 49865035 1 Cl2O2N5H21C23 A2B2C5D21E23 26.65 2.42 -8.95 -0.96 0
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84209 49865039 1 ClSN4O6C15H15 ABC4D6E15F15 -35.94 1.31 -9.94 -2.15 0
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84210 49865041 1 SN4O6C22H22 AB4C6D22E22 -21.86 5.77 -9.69 -1.72 0
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84211 49865043 1 O2N6C29H40 A2B6C29D40 -35.14 2.26 -8.64 -0.34 0
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84212 49865045 4 NOH5C6 ABC5D6 -68.56 4.69 -9.35 -0.96 0
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84213 49865046 1 O4N5H21C24 A4B5C21D24 -72.38 6.9 -9.04 -0.89 0
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84214 49865047 1 FN6C21H25 AB6C21D25 83.32 7.36 -8.91 -0.31 0
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84215 49865048 1 FN6C22H27 AB6C22D27 78.29 4.4 -8.64 -0.59 0
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84216 49865050 1 F3N4O5C24H27 A3B4C5D24E27 -251.88 12.47 -9.25 -1.42 0
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84217 49865053 1 OCl2N3H15C24 AB2C3D15E24 53.22 5.5 -8.69 -0.42 0
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84218 49865056 1 N2Cl3O4C32H37 A2B3C4D32E37 -114.43 6.16 -8.66 -0.59 0
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84219 49865057 3 ClNOC11H12 ABCD11E12 -61.76 9.35 -8.86 -0.69 0
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84220 49865059 1 SN2Cl3O5C32H37 AB2C3D5E32F37 -166.46 4.28 -8.76 -0.47 0
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84221 49865060 1 Cl3N3O4C32H38 A3B3C4D32E38 -116.44 4.84 -8.91 -0.59 0
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84222 49865062 1 Cl2N3O4C36H41 A2B3C4D36E41 -87.58 7.01 -8.73 -0.78 0
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84223 49865063 1 Cl2O3N4C36H38 A2B3C4D36E38 -19.45 5.82 -8.63 -0.97 0
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84224 49865065 1 N2Cl3O5C32H35 A2B3C5D32E35 -166.89 7.86 -8.73 -0.56 1
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84225 49865073 1 NO3H24C25 AB3C24D25 -32.03 4.47 0.0 0.0 0
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84226 49865074 1 ClSN6O6C26H31 ABC6D6E26F31 -138.45 4.46 -8.93 -1.18 0
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84227 49865075 1 ClSN6O7C28H33 ABC6D7E28F33 -181.49 6.7 -8.74 -1.01 0
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84228 49865076 1 ClSF3N5O7H21C28 ABC3D5E7F21G28 -334.58 10.38 -9.19 -1.63 0
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84229 49865077 1 ClSF3N5O7H21C28 ABC3D5E7F21G28 -348.04 5.38 -8.69 -1.51 0
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84230 49865078 1 ClSF3N6O6H20C23 ABC3D6E6F20G23 -333.87 6.45 -8.74 -1.63 0
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84231 49865081 1 SN2O7H20C22 AB2C7D20E22 -221.83 5.82 -9.12 -0.83 0
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84232 49865082 1 N3O4H23C24 A3B4C23D24 -40.62 3.44 -8.47 -0.84 0
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84233 49865083 1 F2N3O3H21C24 A2B3C3D21E24 -94.06 4.27 -8.21 -0.86 0
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84234 49865084 1 O3N4H22C25 A3B4C22D25 26.79 2.67 -8.61 -1.09 0
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84235 49865086 1 FO3N5C16H22 AB3C5D16E22 -113.3 3.25 -8.79 -0.39 0
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84236 49865088 1 FO3N6C17H25 AB3C6D17E25 -122.46 3.37 -8.38 -0.37 0
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84237 49865089 1 F2O3N5C19H21 A2B3C5D19E21 -149.13 2.77 -8.78 -0.39 0
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84238 49865090 1 SN2O3C20H22 AB2C3D20E22 -57.51 7.73 -9.18 -0.93 0
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84239 49865091 1 SN2O3C21H24 AB2C3D21E24 -62.92 9.15 -9.14 -0.94 0
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84240 49865092 1 OCl2N5H15C20 AB2C5D15E20 70.18 3.54 -9.01 -1.04 0
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84241 49865093 1 ON6C18H20 AB6C18D20 54.47 7.22 -8.78 -1.03 0
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84242 49865094 1 ON6C19H22 AB6C19D22 53.55 5.85 -8.82 -0.83 0
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84243 49865095 1 ON6C21H26 AB6C21D26 37.45 6.83 -8.73 -0.75 0
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84244 49865096 1 ON6C21H24 AB6C21D24 72.86 8.1 -8.79 -0.89 0
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84245 49865098 1 SN4O6C22H22 AB4C6D22E22 -10.49 3.89 -9.48 -1.69 0
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84246 49865099 1 SN4O6H18C20 AB4C6D18E20 1.35 4.89 -10.02 -1.71 0
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84247 49865100 1 SN4O6C17H18 AB4C6D17E18 -13.7 5.08 -10.03 -1.8 0
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84248 49865107 1 O4N5H19C23 A4B5C19D23 -56.53 7.09 -9.37 -1.12 0