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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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50277 12012793 1 BrOSN2H14C17 ABCD2E14F17 19.33 5.39 0.0 0.0 0
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50278 12012794 1 OSN2Br4H12C17 ABC2D4E12F17 29.04 4.24 -9.06 -2.74 1
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50279 12012795 1 BrOSN2H12C17 ABCD2E12F17 45.89 2.71 0.0 0.0 0
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50280 12012796 1 OSN2I6H14C17 ABC2D6E14F17 57.66 8.33 -8.63 -2.94 1
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50281 12012797 1 IOSN2H14C17 ABCD2E14F17 66.09 7.12 0.0 0.0 0
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50282 12012798 1 OSN2Br4C12H12 ABC2D4E12F12 -64.75 5.15 -9.45 -1.88 1
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50283 12012799 1 BrOSN2C12H12 ABCD2E12F12 -11.3 3.76 0.0 0.0 0
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50284 12012800 1 OSN2I6C12H12 ABC2D6E12F12 53.17 16.07 -6.96 -4.29 1
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50285 12012801 1 IOSN2C12H12 ABCD2E12F12 2.09 4.0 0.0 0.0 0
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50286 12012802 1 OSN2I4H12C17 ABC2D4E12F17 70.64 8.62 -8.04 -4.29 1
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50287 12012803 1 IOSN2H12C17 ABCD2E12F17 87.52 9.36 0.0 0.0 0
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50288 12012804 1 OSN2Br4H10C12 ABC2D4E10F12 -14.54 14.75 -8.81 -2.17 1
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50289 12012805 1 BrOSN2H10C12 ABCD2E10F12 12.13 2.97 0.0 0.0 0
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50291 12012807 1 IOSN2H10C12 ABCD2E10F12 25.0 2.94 0.0 0.0 0
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50292 12012808 1 OSN2Br4H18C23 ABC2D4E18F23 76.83 11.99 -7.87 -3.26 1
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50293 12012809 1 BrOSN2H18C23 ABCD2E18F23 55.46 3.78 0.0 0.0 0
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50295 12012811 1 IOSN2H18C23 ABCD2E18F23 86.44 6.79 0.0 0.0 0
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50296 12012812 1 OSN2Br4H16C18 ABC2D4E16F18 -11.14 11.48 -8.62 -1.88 1
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50297 12012813 1 BrOSN2H16C18 ABCD2E16F18 22.08 3.87 0.0 0.0 0
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50298 12012814 1 OSN2I6H16C18 ABC2D6E16F18 1.61 11.19 -8.1 -2.99 1
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50299 12012815 1 IOSN2H16C18 ABCD2E16F18 52.78 6.57 0.0 0.0 2
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50300 12012817 1 Cl2H3C5N8 A2B3C5D8 212.52 4.38 0.0 0.0 2
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50301 12012818 1 ClH3C6N9 AB3C6D9 254.42 2.63 0.0 0.0 2
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50302 12012819 1 ClH3C6N9 AB3C6D9 254.83 6.12 0.0 0.0 3
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50303 12012820 1 ClH4C6N9 AB4C6D9 256.71 11.53 -8.34 -3.06 2
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50304 12012821 1 ClH3C6N9 AB3C6D9 260.41 1.75 0.0 0.0 1
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50305 12012822 1 ClH3C6N7 AB3C6D7 224.77 0.89 0.0 0.0 1
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50306 12012823 1 ClH3C6N7 AB3C6D7 216.35 3.7 0.0 0.0 1
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50307 12012824 1 ClH3C6N7 AB3C6D7 226.37 3.84 0.0 0.0 0
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50308 12012825 1 ClH3N5C6 AB3C5D6 180.61 0.58 0.0 0.0 0
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50309 12012826 1 NaPSO3H18C20 ABCD3E18F20 -116.9 2.79 -8.36 0.19 0
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50310 12012827 1 PSO3H19C20 ABC3D19E20 -79.91 4.34 -8.78 -0.55 2
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50311 12012828 1 PNa2S2O6C22H23 AB2C2D6E22F23 -370.09 13.69 -7.98 -0.53 0
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50312 12012829 1 PS2O6C22H23 AB2C6D22E23 -223.48 3.35 -8.94 -0.74 2
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50313 12012830 1 PNa3S3O9C24H26 AB3C3D9E24F26 -564.1 4.31 -7.82 -0.37 0
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50314 12012831 2 OH2N2C4 AB2C2D4 94.61 4.11 -10.39 -2.11 0
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50315 12012832 1 N5O5H9C14 A5B5C9D14 59.91 3.64 -10.26 -2.03 0
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50316 12012835 1 OF3N3H8C10 AB3C3D8E10 -124.85 4.49 -9.84 -0.83 -1
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50318 12012837 1 GeS3Si6C36H67 AB3C6D36E67 -75.49 4.43 0.0 0.0 0
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50320 12012839 1 N3O5C16H21 A3B5C16D21 -179.58 5.64 -9.27 -0.61 0
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50321 12012840 1 N4O4C15H20 A4B4C15D20 -135.77 3.68 -9.9 -0.58 0
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50322 12012841 1 N4O4C15H26 A4B4C15D26 -179.41 2.4 -9.09 -0.62 0
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50323 12012842 1 SO3N4C15H26 AB3C4D15E26 -123.99 2.64 -9.09 -0.74 0
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50324 12012843 2 ON2H7C8 AB2C7D8 58.95 4.6 -9.12 -1.44 0
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50325 12012844 1 FON4H11C15 ABC4D11E15 51.4 3.56 -10.12 -1.52 0
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50326 12012845 1 ON4F5H7C15 AB4C5D7E15 -116.04 4.44 -10.28 -1.7 0
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50327 12012847 1 ON4C18H20 AB4C18D20 44.6 4.67 -10.1 -1.28 0
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50328 12012848 2 ON2H7C12 AB2C7D12 129.26 12.34 -9.94 -1.44 0
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50329 12012849 1 O4C25H32 A4B25C32 -103.86 1.87 -9.18 0.01 0
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50330 12012850 1 O3C22H26 A3B22C26 -102.65 2.54 -9.28 0.2 0
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50331 12012851 1 NO4C24H33 AB4C24D33 -88.78 1.63 -8.82 0.13 0
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50332 12012852 1 NO3C21H27 AB3C21D27 -91.45 3.02 -8.74 0.02 0
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50333 12012854 1 SO2C18H20 AB2C18D20 -48.71 0.71 -9.21 -0.15 0
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50334 12012855 1 NSiS2O3C30H55 ABC2D3E30F55 -228.23 2.51 -8.67 0.36 0
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50335 12012856 1 NSiS2O3C34H63 ABC2D3E34F63 -251.15 2.91 -8.74 0.21 0
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50336 12012857 1 BON2C10H13 ABC2D10E13 -75.04 4.25 -8.54 -0.17 0
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50337 12012858 1 BON2C13H13 ABC2D13E13 -49.24 4.42 -8.53 -0.57 0
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50338 12012859 1 O2N3H11C18 A2B3C11D18 98.84 2.38 -9.49 -1.91 0
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50339 12012860 1 BrO2N3H10C18 AB2C3D10E18 101.4 1.75 -9.68 -2.0 0
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50340 12012861 1 BrO2N3H10C18 AB2C3D10E18 103.77 6.66 -9.58 -1.75 0
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50341 12012862 1 ON5C17H21 AB5C17D21 21.52 4.1 -8.79 -0.38 0
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50342 12012863 1 PN2O4F6C20H27 AB2C4D6E20F27 -587.3 13.53 -9.69 -1.02 0
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50343 12012865 1 ON2C16H16 AB2C16D16 17.45 4.65 -8.03 -0.76 0
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50344 12012866 1 BrON2H15C16 ABC2D15E16 21.06 6.54 -8.18 -0.98 0
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50345 12012867 1 ON2H18C20 AB2C18D20 34.43 4.06 -8.15 -1.02 0
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50346 12012868 1 BrON2H17C20 ABC2D17E20 38.09 6.07 -8.28 -1.18 0
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50347 12012869 1 ON2H16C19 AB2C16D19 53.17 3.37 -9.11 -1.13 0
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50348 12012870 1 ON2H18C20 AB2C18D20 41.37 3.6 -9.08 -1.01 0
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50349 12012871 2 OC4H6 AB4C6 -90.23 7.01 -9.55 0.25 0
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50350 12012872 1 O3C8H12 A3B8C12 -136.98 3.68 -9.68 0.16 0
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50351 12012873 1 O2C9H14 A2B9C14 -95.23 7.59 -9.56 0.19 0
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50352 12012874 2 OC4H6 AB4C6 -91.87 7.64 -9.62 0.23 0
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50353 12012875 1 O3C8H12 A3B8C12 -132.61 5.13 -9.63 0.23 0
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50354 12012876 1 O2C9H14 A2B9C14 -96.79 7.81 -9.6 0.25 0
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50355 12012877 1 SO3C12H14 AB3C12D14 -100.24 10.09 -9.78 -0.1 0