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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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179998 76564593 1 ON7C21H29 AB7C21D29 60.76 2.33 -8.52 -0.42 0
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179999 76564628 1 ON7C20H31 AB7C20D31 35.77 5.16 -8.48 0.41 0
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180000 76564629 1 ON6C25H30 AB6C25D30 43.54 2.59 -8.73 -0.54 0
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180001 76564916 1 OCl2N2F3H15C20 AB2C2D3E15F20 -116.41 5.55 -9.26 -1.66 0
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180002 76565021 1 ClSN2O5C29H33 ABC2D5E29F33 -176.62 6.77 -8.73 -0.72 0
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180003 76565569 1 O6N7C33H43 A6B7C33D43 -192.04 7.25 -9.16 -1.35 0
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180004 76565570 1 F3O6N7C36H52 A3B6C7D36E52 -409.36 5.39 -9.49 -1.48 0
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180005 76565682 1 F2N3O3C11H17 A2B3C3D11E17 -244.46 3.09 -9.06 0.37 0
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180006 76566114 1 N5O8C16H21 A5B8C16D21 -306.19 8.51 -9.37 -0.2 4
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180007 76566648 2 O2N4H13C20 A2B4C13D20 69.71 0.45 -8.42 -0.83 0
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180008 76566649 2 N4O4H13C19 A4B4C13D19 -120.06 12.68 -9.34 -1.41 0
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180009 76566650 2 O2N4H12C19 A2B4C12D19 228.07 13.53 -8.93 -2.27 0
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180010 76566720 1 O8C11H16 A8B11C16 -350.85 1.4 -10.42 -1.69 0
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180011 76566769 1 PO2N3H20C27 AB2C3D20E27 84.78 5.36 -8.14 -1.77 0
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180012 76567041 1 ON5C6H13 AB5C6D13 13.27 2.99 -8.66 0.3 0
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180013 76567042 2 NO2H13C15 AB2C13D15 -42.08 2.54 -9.16 -0.88 0
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180014 76567043 1 O3N4C26H26 A3B4C26D26 4.06 6.93 -8.91 -0.5 0
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180015 76567044 1 NO4H25C26 AB4C25D26 -116.36 9.08 -9.32 -0.84 1
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180016 76567111 1 FSN5O8C33H45 ABC5D8E33F45 -309.44 5.0 0.0 0.0 0
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180017 76567165 1 SN5O10C36H47 AB5C10D36E47 -364.91 8.32 -9.57 -0.46 0
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180018 76567411 1 SN4O4C31H38 AB4C4D31E38 -127.59 7.61 -9.08 -1.17 0
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180019 76567412 1 SN4O4C30H36 AB4C4D30E36 -120.05 11.93 -8.93 -1.15 1
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180020 76567580 1 O5N8C26H31 A5B8C26D31 -54.6 5.62 0.0 0.0 1
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180021 76567607 1 O4N7C28H32 A4B7C28D32 -37.75 6.11 0.0 0.0 1
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180022 76567665 1 O4N7C29H30 A4B7C29D30 -18.49 9.55 0.0 0.0 1
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180023 76567666 1 O4N9C26H32 A4B9C26D32 -21.47 8.0 0.0 0.0 0
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180024 76568642 1 O6N7C26H41 A6B7C26D41 -208.74 6.3 -9.69 -0.5 0
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180025 76568643 1 O6N7C24H37 A6B7C24D37 -207.6 4.93 -10.08 -0.41 0
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180026 76568644 1 SO8N9C33H47 AB8C9D33E47 -211.22 8.91 -9.43 -1.15 0
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180027 76568645 1 O6N7C24H37 A6B7C24D37 -207.81 7.26 -10.16 -0.51 0
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180028 76568693 1 O2F3N6H21C23 A2B3C6D21E23 -127.2 9.21 -9.32 -0.98 0
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180029 76568983 1 O3N9C23H27 A3B9C23D27 63.78 8.98 -8.78 -2.16 0
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180030 76569018 1 N2O2F6H20C25 A2B2C6D20E25 -274.77 3.2 -8.69 -1.45 0
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180031 76569027 1 SN2F3O3C24H29 AB2C3D3E24F29 -225.42 5.53 -9.11 -0.76 0
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180032 76569028 1 SiCl2N3O4C29H41 AB2C3D4E29F41 -218.07 4.05 -8.88 -1.52 0
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180033 76569029 1 O2N4C37H46 A2B4C37D46 -30.9 5.91 -8.12 -0.35 0
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180034 76569246 1 ClN3O4H24C26 AB3C4D24E26 -80.52 6.73 -9.82 -1.17 -1
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180035 76569484 1 IrNS2H8C13 ABC2D8E13 222.66 30.86 -8.96 -4.33 -1
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180036 76569485 1 IrNOSH8C13 ABCDE8F13 217.16 3.55 -8.94 -5.31 -1
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180037 76569486 1 IrO2N4C18H19 AB2C4D18E19 186.92 29.6 -9.62 -7.2 0
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180038 76569487 1 N4C13H16 A4B13C16 77.09 7.32 -8.45 0.33 -1
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180039 76569488 1 PtN3H12C14 AB3C12D14 205.78 3.12 0.0 0.0 0
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180040 76569635 1 S4N9O16H37C49 A4B9C16D37E49 -234.47 5.8 -9.23 -2.16 0
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180041 76569639 1 SN4O5H10C16 AB4C5D10E16 -67.23 3.09 -9.76 -1.91 0
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180042 76569640 1 SO4N7H15C25 AB4C7D15E25 112.07 5.21 -8.94 -2.23 0
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180043 76569641 2 C2N3H5 A2B3C5 129.52 0.48 -9.22 -0.12 0
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180044 76569850 1 LiNaS2N3O7H15C18 ABC2D3E7F15G18 -189.45 40.8 -8.16 -1.65 0
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180045 76570165 1 ON5C20H25 AB5C20D25 41.67 4.82 -9.03 -0.16 0
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180046 76570186 1 ON3H17C23 AB3C17D23 89.41 5.45 -8.14 -1.34 0
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180047 76570187 1 ClSN3O3H26C27 ABC3D3E26F27 -80.98 2.65 -7.9 -1.12 0