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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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76277 48424713 1 ClN2O3C20H21 AB2C3D20E21 -104.72 1.43 -9.53 -0.32 0
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76278 48424716 1 NCl2O3C15H19 AB2C3D15E19 -109.22 6.29 -9.15 -0.42 0
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76279 48424718 1 FN3O3C21H26 AB3C3D21E26 -144.07 3.27 -8.31 -0.02 0
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76280 48424720 2 NO2C9H13 AB2C9D13 -139.43 7.98 -8.28 0.06 0
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76281 48424721 1 N2O3C18H26 A2B3C18D26 -108.13 3.42 -8.92 -0.23 0
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76282 48424722 1 ClFN2O3C19H20 ABC2D3E19F20 -154.22 3.67 -9.75 -0.59 0
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76283 48424726 3 NOC7H11 ABC7D11 -142.0 3.2 -8.67 -0.07 0
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76284 48424729 1 SO2N3C16H25 AB2C3D16E25 -52.04 2.91 -8.53 -0.13 0
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76285 48424730 1 NO2C21H25 AB2C21D25 -39.58 3.48 -8.7 -0.32 0
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76286 48424731 1 NO3C18H25 AB3C18D25 -100.36 2.16 -8.92 0.21 0
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76287 48424732 1 BrNO3C19H26 ABC3D19E26 -106.6 2.95 -9.7 -0.31 0
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76288 48424737 2 ON2C9H12 AB2C9D12 -10.44 5.21 -8.76 -0.62 0
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76289 48424740 1 N3O3C19H29 A3B3C19D29 -133.34 3.24 -8.47 -0.02 0
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76290 48424741 1 N2O2C15H28 A2B2C15D28 -97.58 4.3 -8.67 1.07 0
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76291 48424742 1 NO2C17H25 AB2C17D25 -68.34 2.56 -9.44 0.22 0
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76292 48424743 1 N2O5C21H26 A2B5C21D26 -173.4 1.51 -8.37 -0.06 0
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76293 48424745 2 NO2C11H14 AB2C11D14 -147.09 3.7 -9.09 -0.17 0
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76294 48424746 1 NO3C18H27 AB3C18D27 -114.47 3.61 -8.98 -0.02 0
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76295 48424747 1 NO3C18H27 AB3C18D27 -117.63 4.18 -9.08 0.37 0
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76296 48424749 1 N2O3C15H26 A2B3C15D26 -138.92 7.13 -9.2 0.88 0
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76297 48424750 1 N2O5C23H28 A2B5C23D28 -166.7 5.48 -8.26 0.06 0
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76298 48424751 1 NO4C19H27 AB4C19D27 -131.05 6.97 -8.33 0.08 0
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76299 48424752 1 SO3N4C21H28 AB3C4D21E28 -84.3 6.04 -9.04 -0.48 0
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76300 48424753 1 SO2N3C17H27 AB2C3D17E27 -51.54 3.44 -8.67 -0.28 0
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76301 48424756 1 N2O3C21H22 A2B3C21D22 -40.04 7.62 -8.92 -0.59 0