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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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166994 74763370 1 S2N3O4C23H27 A2B3C4D23E27 -139.3 4.58 -8.61 -0.79 0
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166995 74763496 1 ON8C20H22 AB8C20D22 73.06 4.34 -8.77 -0.79 0
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166996 74763497 1 ON7C21H23 AB7C21D23 53.0 7.42 -8.76 -0.65 0
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166997 74764241 1 F3N3H12C14 A3B3C12D14 -81.43 1.44 -9.46 -0.51 0
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166999 74764652 1 ClN2O5C15H15 AB2C5D15E15 -103.15 5.4 -7.82 -1.71 0
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167000 74764653 1 IN2C27H31 AB2C27D31 104.82 19.22 -6.17 -1.88 0
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167001 74764724 1 ClN2O4C37H37 AB2C4D37E37 116.7 15.03 -8.12 -2.27 0
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167009 74765199 1 ClN2O3C9H19 AB2C3D9E19 -209.03 3.86 -9.84 0.1 0
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167010 74765200 1 N3O13C33H37 A3B13C33D37 -544.07 7.15 -8.9 -0.45 0
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167011 74765201 1 N2O5H30C32 A2B5C30D32 -123.88 5.57 -9.16 -0.23 0
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167013 74765634 1 NRuH2O2 ABC2D2 46.07 4.02 0.0 0.0 0
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167014 74765784 1 BSF2N3O4C21H28 ABC2D3E4F21G28 -311.59 7.92 -8.46 -1.23 0
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167015 74765785 1 BN2O4C6H15 AB2C4D6E15 -259.36 4.09 -9.5 0.92 0
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167016 74765906 1 ClN2O3C9H15 AB2C3D9E15 -170.36 4.52 -9.24 -0.15 0
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167017 74766346 1 O3N4C22H26 A3B4C22D26 -25.5 4.04 -9.05 -0.71 0
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167018 74766347 1 N3O4C25H31 A3B4C25D31 -67.59 3.91 -7.9 -0.9 0
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167019 74766348 1 BrSO3N4C14H15 ABC3D4E14F15 -15.42 6.52 -8.89 -1.8 0
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167020 74766540 1 FSO2N4H21C22 ABC2D4E21F22 -16.66 5.09 -9.57 -1.35 0
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167021 74766597 1 SO3N6C19H26 AB3C6D19E26 -106.03 5.85 -7.74 -0.73 0
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167022 74768134 1 OSF3N3C18H18 ABC3D3E18F18 -142.06 8.52 -8.92 -1.11 0
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167023 74768135 1 ClO2S2N3H14C17 AB2C2D3E14F17 20.6 4.92 -8.46 -1.26 0
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167024 74768511 2 OSN2H10C11 ABC2D10E11 45.45 4.58 -8.79 -0.82 0
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167025 74768731 1 SN3O3C15H15 AB3C3D15E15 -42.54 4.35 -9.26 -1.33 0
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167026 74768760 1 SN2F3O4H15C20 AB2C3D4E15F20 -219.95 6.07 -9.33 -1.26 0
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167027 74769109 1 N2O6H22C23 A2B6C22D23 -152.68 6.28 -9.06 -0.95 1
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167028 74769110 1 SN4O5C18H23 AB4C5D18E23 -158.89 4.44 0.0 0.0 0
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167029 74769626 1 NO5H25C26 AB5C25D26 -124.22 6.53 -8.35 -0.94 0
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167030 74769627 1 ClN2O6C19H19 AB2C6D19E19 -208.16 5.67 -9.31 -1.14 0
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167031 74769628 1 SO4H18C19 AB4C18D19 -93.18 1.4 -8.7 -0.75 0
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167032 74769936 1 N2O6H20C21 A2B6C20D21 -106.09 1.37 -8.31 -1.65 1
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167033 74769937 1 BrSO2N4H16C19 ABC2D4E16F19 80.71 2.96 0.0 0.0 0
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167034 74770016 1 BrO2N6C16H17 AB2C6D16E17 13.96 5.66 -9.36 -0.96 0
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167035 74770017 1 O3N6C17H20 A3B6C17D20 -30.46 5.57 -9.07 -0.69 0
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167036 74770400 1 OSCl2N4H18C20 ABC2D4E18F20 34.42 4.78 -9.21 -0.83 0
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167037 74770401 1 OSN5C22H25 ABC5D22E25 41.34 3.86 -8.85 -0.73 0
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167038 74770402 1 N2O6C21H24 A2B6C21D24 -219.29 7.25 -9.51 -1.2 1
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167040 74771099 2 ON2C9H11 AB2C9D11 -26.14 10.45 -9.52 -0.41 1
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167041 74771100 1 SO2N4C21H23 AB2C4D21E23 4.21 2.9 0.0 0.0 0
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167042 74771742 1 N3O4H17C22 A3B4C17D22 -24.78 3.16 -8.35 -1.02 0
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167043 74771970 1 F3N3O4C20H24 A3B3C4D20E24 -329.45 1.96 -9.59 -0.18 1
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167044 74772118 1 O3N4C11H19 A3B4C11D19 -103.6 3.17 0.0 0.0 0
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167045 74772119 1 O3N4C11H18 A3B4C11D18 -127.42 3.38 -9.7 0.16 0
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167046 74772257 1 N3O6H17C18 A3B6C17D18 -156.46 5.15 -8.98 -0.82 0
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167047 74772258 1 N3O5H19C20 A3B5C19D20 -125.38 5.28 -8.97 -0.77 1
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167048 74772357 1 ClN2O6H12C18 AB2C6D12E18 -132.13 2.42 0.0 0.0 0
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167049 74772358 1 SO3N7C24H25 AB3C7D24E25 24.87 3.92 -8.52 -1.14 0
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167050 74772689 1 N3O4C28H35 A3B4C28D35 -112.12 6.44 -8.72 -0.12 0
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167051 74773097 1 SO2N6H16C18 AB2C6D16E18 74.76 6.26 -9.65 -1.98 0
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167052 74773780 1 ClSN3O4C20H24 ABC3D4E20F24 -133.34 10.24 -8.48 -0.47 0
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167053 74773834 1 BrN2S2O3C18H19 AB2C2D3E18F19 -74.59 2.69 -8.36 -1.19 0