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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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205095 80054907 1 OSN2C14H16 ABC2D14E16 16.05 1.99 -8.28 -0.37 0
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205096 80054956 1 SN2O2C11H16 AB2C2D11E16 -63.17 6.5 -9.07 -0.38 0
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205097 80054979 1 SN2C13H20 AB2C13D20 16.53 3.37 -8.84 -0.22 0
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205098 80055047 1 FNSO2H12C15 ABCD2E12F15 -58.8 4.53 -9.23 -1.25 0
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205099 80056147 1 SBr2O3C14H18 AB2C3D14E18 -120.86 7.0 -8.81 -0.5 0
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205100 80056148 1 N2O5C12H12 A2B5C12D12 -141.89 3.54 -8.61 -0.55 0
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205101 80056161 2 SO2C6H11 AB2C6D11 -202.87 4.81 -9.02 0.21 0
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205102 80056162 1 NSO3C15H23 ABC3D15E23 -127.96 5.27 -9.04 0.03 0
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205103 80056163 1 SN2O2C12H26 AB2C2D12E26 -109.26 4.11 -8.69 1.01 0
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205104 80056164 1 SN2O2C12H24 AB2C2D12E24 -80.43 4.41 -8.81 0.9 0
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205105 80056165 1 SN2O3C13H20 AB2C3D13E20 -107.83 4.46 -8.25 -0.15 0
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205106 80056166 1 NSCl2O2C13H17 ABC2D2E13F17 -99.28 9.04 -8.31 -0.06 0
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205107 80056167 1 NSO2C16H23 ABC2D16E23 -92.67 5.25 -8.03 0.59 0
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205108 80056552 1 SN2O3C13H28 AB2C3D13E28 -146.1 7.12 -9.01 1.05 0
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205109 80056636 1 N3F4C12H15 A3B4C12D15 -142.76 5.58 -8.83 -0.98 0
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205110 80057231 1 ON2F4C10H12 AB2C4D10E12 -192.12 8.05 -9.36 -0.8 0
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205111 80057316 1 SN2F4C8H8 AB2C4D8E8 -142.14 6.28 -9.28 -0.87 0
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205112 80057787 1 FSO2C10H11 ABC2D10E11 -121.75 4.15 -9.23 -0.72 0
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205113 80057788 1 FSO2C14H19 ABC2D14E19 -139.86 4.05 -8.82 -0.45 0
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205114 80057789 1 FSO2C9H9 ABC2D9E9 -115.12 5.95 -9.6 -1.08 0
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205115 80057790 1 FSO2C12H15 ABC2D12E15 -133.29 2.75 -8.97 -0.54 0
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205116 80057794 1 FN2O3C14H19 AB2C3D14E19 -127.37 2.36 -9.36 -0.67 0
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205117 80058308 1 FNO3C15H20 ABC3D15E20 -141.94 3.9 -9.3 -0.54 0
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205118 80058309 1 FNO2C14H14 ABC2D14E14 -84.51 4.49 -9.04 -0.55 0
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205119 80058517 1 FSO5H9C12 ABC5D9E12 -198.44 3.32 -10.02 -1.28 0
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205120 80058943 1 FCl2O2H13C15 AB2C2D13E15 -105.15 4.06 -9.02 -0.76 0
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205121 80058944 1 FN2O2C13H15 AB2C2D13E15 -81.8 1.43 -9.44 -0.59 0
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205122 80058945 1 FO2C13H17 AB2C13D17 -114.54 1.54 -9.25 -0.38 0
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205123 80058946 1 FSO2C16H17 ABC2D16E17 -93.6 4.79 -8.7 -0.24 0
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205124 80058947 1 FNO3C14H20 ABC3D14E20 -189.36 3.55 -9.4 -0.59 0
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205125 80058948 1 FNO2C14H14 ABC2D14E14 -83.74 5.67 -9.23 -0.55 0
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205126 80059239 1 FSO3C10H11 ABC3D10E11 -149.73 6.24 -10.42 -1.08 0
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205127 80059282 1 FNOSC14H22 ABCDE14F22 -98.39 2.19 -8.84 -0.38 0
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205128 80059384 1 FNSC13H20 ABCD13E20 -45.75 1.47 -8.88 -0.5 0
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205129 80059385 1 FNSC15H24 ABCD15E24 -56.04 2.01 -8.79 -0.43 0
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205130 80059386 1 FNSC15H16 ABCD15E16 -9.29 1.61 -8.4 -0.37 0
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205131 80059494 1 BKSF4H6C7 ABCD4E6F7 -367.13 10.53 -8.01 0.04 -1
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205132 80059495 1 BSF4H6C7 ABC4D6E7 -272.05 6.87 0.0 0.0 0
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205133 80059496 1 NSF3H14C15 ABC3D14E15 -99.69 3.39 -8.68 -0.88 0
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205134 80059497 1 BrFNSH15C16 ABCDE15F16 23.99 2.87 -8.87 -0.67 0
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205135 80059498 1 FNSC15H16 ABCD15E16 -4.4 2.06 -8.7 -0.47 0
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205136 80059499 1 NSF2C15H15 ABC2D15E15 -52.2 2.71 -8.87 -0.64 0
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205137 80059500 1 OSF3H9C13 ABC3D9E13 -139.96 3.19 -8.85 -1.01 0
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205138 80059701 1 SO2F3H9C14 AB2C3D9E14 -150.88 4.42 -8.76 -1.07 0
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205139 80059702 1 FSO3H13C15 ABC3D13E15 -100.15 6.45 -8.45 -0.81 0
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205140 80059900 1 FSO3H13C15 ABC3D13E15 -115.49 5.5 -8.89 -1.06 0
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205141 80059977 1 FNOSC12H18 ABCDE12F18 -82.98 2.65 -8.95 -0.55 0
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205142 80060436 1 FNSC14H20 ABCD14E20 -56.05 1.37 -8.98 -0.51 0
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205143 80060570 1 ClNSO2C15H22 ABCD2E15F22 -99.16 6.25 -9.21 -0.04 0
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205144 80060571 1 SN2O2C14H22 AB2C2D14E22 -82.12 6.14 -9.52 -0.27 0