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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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170677 75266920 1 SN2O2H14C15 AB2C2D14E15 1.46 4.46 -9.09 -1.48 0
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170678 75266921 2 NOSH6C7 ABCD6E7 6.13 3.75 -9.04 -1.32 0
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170679 75266922 1 OS2N3C14H15 AB2C3D14E15 29.9 4.62 -9.13 -1.4 0
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170680 75266923 1 SN2O2F3C12H13 AB2C2D3E12F13 -193.86 7.48 -9.33 -1.68 0
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170681 75266924 1 ClOSN2C12H15 ABCD2E12F15 -18.2 4.89 -9.22 -1.46 0
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170682 75266925 1 FOSN2C15H17 ABCD2E15F17 -64.82 3.05 -8.8 -0.56 0
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170683 75267067 1 ClN2O2C15H19 AB2C2D15E19 -87.18 9.12 -9.62 -0.55 0
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170684 75267068 1 ClN2O2C15H19 AB2C2D15E19 -87.57 7.38 -9.64 -0.54 0
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170685 75267069 2 NO2C7H8 AB2C7D8 -87.23 8.98 -9.81 -0.9 0
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170686 75267452 1 SO2N3C13H13 AB2C3D13E13 15.56 3.01 -9.45 -2.16 0
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170687 75268104 1 SN3O3C13H21 AB3C3D13E21 -84.64 2.49 -8.67 -0.12 0
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170688 75268160 1 N2O2S2C13H16 A2B2C2D13E16 -32.51 3.48 -9.01 -1.48 0
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170689 75268357 1 ClFON3H11C13 ABCD3E11F13 -13.46 7.74 -9.51 -1.53 0
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170690 75268358 1 OCl2N3H11C13 AB2C3D11E13 23.86 7.72 -9.51 -1.53 0
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170691 75268542 1 Cl2O2H10C15 A2B2C10D15 -32.85 1.74 -9.32 -1.22 0
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170692 75268543 1 ClO2H15C17 AB2C15D17 -41.64 3.71 -9.2 -0.91 0
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170693 75268544 1 ClNO4H12C13 ABC4D12E13 -108.92 4.12 -9.56 -1.44 0
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170694 75268545 2 OH8C9 AB8C9 -27.53 1.8 -9.18 -0.66 0
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170695 75268546 1 ClO3H11C16 AB3C11D16 -63.59 1.97 -9.32 -0.9 0
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170696 75268899 1 Cl2O2N5C18H27 A2B2C5D18E27 -86.38 7.86 -9.45 -0.74 0
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170697 75268900 2 OSN2C10H12 ABC2D10E12 -13.64 3.59 -8.9 -1.41 0
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170698 75268931 1 N2O6C19H22 A2B6C19D22 -236.82 5.15 -8.97 -0.41 0
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170699 75268962 1 O2N4C19H22 A2B4C19D22 23.84 4.05 -8.78 -0.24 0
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170700 75269296 1 NO3C18H21 AB3C18D21 -75.91 4.15 -8.45 0.1 0
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170701 75269453 1 ClSN2O3C15H17 ABC2D3E15F17 -103.59 2.86 -8.88 -0.77 0
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170702 75269454 1 N2O4C21H22 A2B4C21D22 -110.75 3.97 -8.18 -0.08 0
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170703 75269717 1 N4O5C23H24 A4B5C23D24 -126.07 14.3 -9.22 -0.85 0
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170704 75269791 2 OSN2C9H10 ABC2D9E10 -5.11 5.86 -9.22 -1.6 0
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170705 75269976 1 FSN4O4C17H25 ABC4D4E17F25 -172.73 7.03 -8.69 0.02 0
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170706 75269988 1 SN3O4C14H21 AB3C4D14E21 -127.15 0.91 -8.91 -0.28 0
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170707 75270305 1 SN4O4C21H28 AB4C4D21E28 -110.75 7.25 -8.57 -0.35 0
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170708 75270306 1 SN4O4C22H30 AB4C4D22E30 -111.68 6.64 -8.67 -0.33 0
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170709 75270953 1 FSO2N4C26H29 ABC2D4E26F29 -66.51 8.68 -8.68 -0.39 0
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170710 75270963 1 SO2N4C19H24 AB2C4D19E24 -36.68 4.75 -8.86 -0.38 0
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170711 75270994 1 ClFSO2N4C25H26 ABCD2E4F25G26 -66.33 10.02 -8.64 -0.77 0
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170712 75270995 1 ClFSO2N4C25H26 ABCD2E4F25G26 -67.62 7.15 -8.65 -0.62 0
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170713 75270996 1 SO3N4C23H26 AB3C4D23E26 -42.81 7.56 -8.64 -0.05 0
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170714 75270997 1 SO2N4C26H30 AB2C4D26E30 -16.05 8.04 -8.69 -0.29 0
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170715 75270998 1 FSO2N4C26H29 ABC2D4E26F29 -64.53 7.2 -8.74 -0.26 0
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170716 75270999 1 SO2N4C26H30 AB2C4D26E30 -17.15 6.62 -8.66 -0.02 0
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170717 75271126 1 SO2N4C26H36 AB2C4D26E36 -70.43 8.15 -8.63 -0.17 0
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170718 75271127 1 SO2N4C26H36 AB2C4D26E36 -81.64 6.93 -8.73 -0.36 1
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170719 75271406 1 SN4O4H17C22 AB4C4D17E22 1.01 1.17 0.0 0.0 1
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170720 75271407 1 SN4O4H19C23 AB4C4D19E23 -9.88 1.59 0.0 0.0 1
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170721 75271408 1 SN4O5H19C23 AB4C5D19E23 -38.03 2.81 0.0 0.0 0
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170722 75271409 1 SN4O5H20C23 AB4C5D20E23 -46.54 4.77 -8.94 -1.15 0
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170723 75271462 1 ClFO2N3H17C20 ABC2D3E17F20 -65.32 2.0 -9.1 -1.38 0
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170724 75271463 1 FO2N3H20C21 AB2C3D20E21 -65.2 4.91 -8.59 -1.32 0
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170725 75271464 1 ClFO2N3H19C21 ABC2D3E19F21 -75.92 3.59 -8.9 -1.42 0
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170726 75271465 1 FN3O4C22H22 AB3C4D22E22 -133.06 5.57 -8.6 -1.26 1