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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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300229 121269889 2 FNOH5C6 ABCD5E6 -92.35 1.34 -8.86 -0.73 0
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300230 121269891 1 N2O6H18C23 A2B6C18D23 -125.44 8.03 -8.92 -1.14 0
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300231 121269893 1 N2O6H18C23 A2B6C18D23 -82.43 8.1 -8.94 -1.14 0
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300232 121269894 1 ClFNSO2H9C15 ABCDE2F9G15 -52.76 4.8 -9.07 -1.34 0
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300233 121269898 1 ClF3N3O3H13C18 AB3C3D3E13F18 -192.9 6.82 -9.54 -1.52 0
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300234 121269905 1 BrSF3O4H8C14 ABC3D4E8F14 -238.25 3.61 -10.1 -1.52 0
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300235 121269906 1 SF4O4H8C15 AB4C4D8E15 -290.71 1.29 -10.17 -1.95 0
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300236 121269907 1 NSO5F7H10C20 ABC5D7E10F20 -452.79 2.47 -9.36 -2.06 0
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300237 121269908 2 ON2C5H5 AB2C5D5 28.16 4.35 -8.98 -0.93 0
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300238 121269909 1 OSF4H10C16 ABC4D10E16 -172.0 3.47 -9.12 -1.72 0
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300239 121269910 1 FNO2C8H8 ABC2D8E8 -80.89 4.33 -9.33 -0.29 0
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300240 121269911 1 FNSO2C12H12 ABCD2E12F12 -86.49 3.18 -8.7 -0.82 0
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300241 121269915 1 NSF3O4H8C15 ABC3D4E8F15 -207.29 3.81 -10.4 -1.69 0
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300242 121269921 1 F3O3N5H6C9 A3B3C5D6E9 -184.45 5.0 -9.85 -1.61 0
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300243 121269922 1 FO2N3H12C15 AB2C3D12E15 -50.67 7.29 -8.5 -1.07 0
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300244 121269924 1 SF3N3O3H10C18 AB3C3D3E10F18 -95.81 8.73 -9.92 -2.03 0
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300245 121269927 1 SN2O3F4H8C16 AB2C3D4E8F16 -196.25 8.37 -8.83 -2.0 0
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300246 121269934 1 ClNO2F3H7C9 ABC2D3E7F9 -200.52 4.23 -9.84 -1.12 0
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300247 121269937 1 SF2N2O6H16C20 AB2C2D6E16F20 -269.43 6.21 -9.87 -1.36 0
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300248 121269943 1 ClN3O3C14H14 AB3C3D14E14 -44.35 5.11 -9.07 -0.85 0
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300249 121269953 1 OSF3N3H6C10 ABC3D3E6F10 -77.47 10.26 -9.94 -2.06 0
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300250 121269961 1 SN2O4F5H15C19 AB2C4D5E15F19 -330.4 2.72 -9.24 -1.3 0
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300251 121269966 1 IN2O3C7H7 AB2C3D7E7 -74.29 5.02 -9.05 -1.16 0
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300252 121269973 1 NF3O3H10C11 AB3C3D10E11 -235.53 3.02 -9.7 -1.21 0
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300253 121269976 1 ClN3O3H14C17 AB3C3D14E17 -67.21 4.15 -9.32 -1.13 0
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300254 121269990 1 Cl2O2N6H12C17 A2B2C6D12E17 111.76 8.27 -9.6 -1.59 0
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300255 121269993 1 Cl2O2N3H11C15 A2B2C3D11E15 52.79 9.97 -9.48 -1.48 0
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300256 121270002 1 ClN3O4H16C18 AB3C4D16E18 -26.8 8.16 -9.16 -0.8 0
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300257 121270003 1 F2O2N3H11C15 A2B2C3D11E15 -23.02 10.08 -9.73 -1.42 0
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300258 121270022 1 F2N3O3H13C16 A2B3C3D13E16 -63.9 11.86 -9.34 -1.38 0
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300259 121270032 1 F3N3O3H12C16 A3B3C3D12E16 -120.18 9.29 -9.44 -1.46 0
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300260 121270033 1 Cl2O3N4H14C17 A2B3C4D14E17 1.72 12.46 -9.33 -1.3 0
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300261 121270034 1 Cl2O2N4H12C15 A2B2C4D12E15 48.87 10.11 -8.98 -1.32 0
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300262 121270047 1 O3N7C25H27 A3B7C25D27 14.61 8.75 -8.62 -0.99 0
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300266 121270057 1 ClO3N5H26C27 AB3C5D26E27 -7.4 8.49 -8.67 -1.14 0
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300271 121270097 1 O3N6C27H28 A3B6C27D28 -5.11 6.46 -8.65 -1.02 0
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300272 121270099 1 ClO2N5C28H28 AB2C5D28E28 8.45 3.58 -8.72 -1.15 0
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300273 121270105 1 ClO2N6H23C27 AB2C6D23E27 70.48 9.36 -8.7 -1.47 0
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300278 121270133 2 ON3H13C14 AB3C13D14 62.17 3.06 -8.83 -1.58 0
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300289 121270219 1 ClO2N6C25H25 AB2C6D25E25 39.28 7.28 -8.7 -1.14 0
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300303 121270281 1 ClO2N6C26H27 AB2C6D26E27 28.18 4.55 -8.76 -1.18 0
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300304 121270283 1 ClO3N5H24C25 AB3C5D24E25 -16.51 4.31 -8.6 -1.13 0
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300305 121270284 1 ClO2N6C27H27 AB2C6D27E27 26.76 6.19 -8.72 -1.19 0
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300306 121270285 1 O4N5C21H23 A4B5C21D23 -75.78 8.73 -8.71 -1.07 0
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300310 121270306 1 ClO2N6C25H25 AB2C6D25E25 39.97 5.44 -8.75 -1.18 0
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300317 121270333 1 ClO2N6H23C25 AB2C6D23E25 47.62 5.26 -8.7 -1.33 0
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300356 121270455 1 ClO2N6H23C25 AB2C6D23E25 50.03 8.9 -9.21 -1.32 0
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300366 121270486 1 ClON4C19H20 ABC4D19E20 81.28 4.03 0.0 0.0 0
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300369 121270491 1 ClO3N4C25H29 AB3C4D25E29 -78.34 4.83 -8.63 -1.14 0
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300401 121270589 1 ClO2N6H23C25 AB2C6D23E25 45.88 5.32 -8.8 -1.31 0
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300409 121270605 1 ClO2N6C27H29 AB2C6D27E29 10.75 9.38 -8.49 -1.08 0
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300424 121280595 1 S2O4N5H31C32 A2B4C5D31E32 12.54 2.43 -8.62 -0.83 0
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300425 121280656 1 SO4H12C14 AB4C12D14 -99.78 5.58 -9.4 -0.78 0
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300426 121280676 1 N3O9C41H77 A3B9C41D77 -450.18 7.0 -9.44 0.44 0
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300427 121280677 1 PO6C7H17 AB6C7D17 -295.4 2.61 -9.3 0.82 0
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300428 121280732 1 ON7H19C24 AB7C19D24 115.19 2.52 -9.09 -1.23 0
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300429 121280801 1 O4N5H19C25 A4B5C19D25 -0.36 8.24 -8.85 -1.06 1
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300430 121280806 1 NO3C13H14 AB3C13D14 -23.52 5.84 0.0 0.0 0
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300431 121280960 1 FOC11H11 ABC11D11 -32.41 1.09 -9.79 -0.21 0
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300432 121280967 1 Cl2O2N3F4H17C19 A2B2C3D4E17F19 -264.47 6.07 -9.91 -1.58 0
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300433 121280971 1 N2O6C21H36 A2B6C21D36 -332.76 4.49 -9.58 0.36 0
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300434 121281216 1 BrClN2O3H12C13 ABC2D3E12F13 -80.82 1.66 -9.11 -0.95 0
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300435 121281487 1 SN3O5C20H25 AB3C5D20E25 -169.31 5.53 -8.67 -1.04 0
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300436 121281571 1 SN4O6H16C19 AB4C6D16E19 -107.84 4.45 -8.82 -1.69 0
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300437 121281600 1 BrN2O2F3H10C13 AB2C2D3E10F13 -196.81 3.25 -9.98 -1.04 0
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300438 121281633 1 SN3O6C20H23 AB3C6D20E23 -167.83 3.22 -8.23 -1.08 0
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300439 121281644 1 SN5O6C28H37 AB5C6D28E37 -176.23 5.96 -9.15 -0.78 0
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300440 121281657 1 SF3N3O5C18H18 AB3C3D5E18F18 -277.59 5.51 -9.2 -1.47 0
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300441 121281658 1 SO2F3N3H16C17 AB2C3D3E16F17 -141.86 8.13 -8.92 -1.01 0
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300442 121281870 1 Cl2O3N7C24H33 A2B3C7D24E33 -77.84 6.41 -9.01 -1.44 0
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300443 121282125 1 ClO2N8C14H15 AB2C8D14E15 20.3 6.06 -8.79 -1.19 0
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300444 121282147 1 NO4C15H25 AB4C15D25 -214.67 1.67 -9.67 0.65 0
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300445 121282172 1 SN2O3C14H24 AB2C3D14E24 -157.76 1.87 -9.0 0.01 0
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300446 121283285 1 OF3N4C27H35 AB3C4D27E35 -143.68 5.28 -8.43 -0.41 0
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300447 121283288 1 ON4F6C25H30 AB4C6D25E30 -319.65 5.07 -8.52 -1.01 0