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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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225713 87225386 1 NaO2C11H22 AB2C11D22 -112.03 4.66 0.0 0.0 0
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225714 87225387 1 NaO2C11H21 AB2C11D21 -81.34 33.71 -6.68 -2.07 0
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225715 87225388 1 BrNO4C13H14 ABC4D13E14 -102.12 4.84 -9.82 -1.17 0
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225716 87225389 1 SO6N7H25C26 AB6C7D25E26 -146.08 10.07 -8.94 -1.94 0
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225717 87225390 1 SN6O10C27H28 AB6C10D27E28 -324.59 9.18 -8.84 -1.86 0
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225718 87225391 1 BrCl2N2O2F3H16C21 AB2C2D2E3F16G21 -152.77 5.39 -9.82 -1.1 0
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225719 87225392 1 SP2N6O11C25H28 AB2C6D11E25F28 -479.58 12.94 -9.14 -2.02 0
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225720 87225393 1 ZnS2C3H4 AB2C3D4 49.72 2.71 -8.32 -1.42 0
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225721 87225394 1 ZnS2C3H4 AB2C3D4 57.5 0.19 -8.35 -1.55 0
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225722 87225395 1 S3O7C32H36 A3B7C32D36 -255.65 3.51 -9.13 -0.49 0
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225723 87225396 1 P2N7O10C30H37 A2B7C10D30E37 -466.82 7.36 -8.71 -1.5 0
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225724 87225397 1 ClSO3N5H20C21 ABC3D5E20F21 -48.52 9.99 -8.4 -1.41 0
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225725 87225398 1 SO3N5H19C21 AB3C5D19E21 -13.27 9.59 -8.26 -1.36 0
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225726 87225399 1 BrCl2N2O2F3H20C23 AB2C2D2E3F20G23 -152.45 3.93 -9.57 -1.22 0
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225728 87225401 1 SO4N6H28C30 AB4C6D28E30 -47.17 7.07 -8.11 -1.66 0
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225729 87225402 1 BrON9C13H16 ABC9D13E16 87.74 2.38 -9.02 -1.44 0
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225730 87225403 1 O2C7H14 A2B7C14 -80.62 1.85 -10.19 1.61 0
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225731 87225404 1 O2C7H14 A2B7C14 -86.46 1.87 -10.64 1.59 0
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225732 87225405 1 ClSN6O8C31H39 ABC6D8E31F39 -275.64 9.38 -8.72 -1.68 0
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225733 87225406 1 SO6H8C13F18 AB6C8D13E18 -1152.84 1.91 -12.01 -1.8 0
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225734 87225407 1 SN5O5H25C29 AB5C5D25E29 -86.48 6.27 -8.41 -1.51 0
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225735 87225408 1 SN6O10C29H34 AB6C10D29E34 -342.16 10.97 -8.37 -1.48 0
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225736 87225409 1 N2O2C5H8 A2B2C5D8 -38.58 3.21 -9.86 -0.54 0
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225737 87225410 1 SN6O7H22C24 AB6C7D22E24 -190.88 7.74 -8.75 -1.83 0
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225738 87225411 1 SO5N6C24H24 AB5C6D24E24 -106.12 7.32 -8.53 -1.62 0
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225739 87225412 1 SN6O8C33H42 AB6C8D33E42 -257.4 10.94 -8.56 -1.67 0
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225740 87225413 1 NSO6C21H27 ABC6D21E27 -217.84 4.19 -9.39 -0.64 0
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225741 87225414 1 NSO6C21H27 ABC6D21E27 -205.9 2.08 -9.35 -0.68 0
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225742 87225424 1 SN6O9H22C25 AB6C9D22E25 -262.99 11.7 -9.26 -1.97 1
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225743 87225612 1 PO5F6C7H8 AB5C6D7E8 -575.35 1.49 0.0 0.0 0
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225744 87225785 1 N2O3C27H40 A2B3C27D40 -107.95 3.93 -8.52 -0.31 0
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225745 87225791 1 N2O3C25H34 A2B3C25D34 -93.89 4.95 -8.41 -0.23 0
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225746 87225797 1 NO5H23C27 AB5C23D27 -104.12 4.37 -8.87 -1.17 0
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225747 87225829 1 N3O4C36H45 A3B4C36D45 -84.8 3.63 -8.59 -0.5 0
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225748 87225838 1 N3O5C34H47 A3B5C34D47 -172.63 5.96 -8.42 -0.22 0
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225749 87225848 1 OSN3C25H27 ABC3D25E27 38.66 1.54 -8.53 -0.71 0
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225750 87225859 1 NO5C23H29 AB5C23D29 -179.06 5.87 -8.52 -0.3 0
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225751 87225866 1 NO5C28H31 AB5C28D31 -169.52 5.38 -8.43 -0.26 0
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225752 87225881 1 NO4C23H31 AB4C23D31 -136.67 3.61 -8.42 -0.21 0
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225753 87225885 1 NO5C26H27 AB5C26D27 -147.02 6.37 -8.88 -1.08 0
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225754 87225887 1 N2O5C32H36 A2B5C32D36 -126.56 5.71 -8.82 -0.94 0
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225755 87225904 1 N3O6C35H43 A3B6C35D43 -172.14 9.85 -8.9 -0.68 0
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225756 87225918 1 N2O4C27H36 A2B4C27D36 -147.56 3.44 -8.42 -0.24 0
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225757 87225931 1 NSO3C25H29 ABC3D25E29 -65.52 4.99 -8.53 -0.34 0
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225758 87225939 1 N4C13H24 A4B13C24 22.13 3.87 -8.51 1.04 0
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225759 87225945 1 N2O4C29H32 A2B4C29D32 -108.5 5.51 -8.54 -0.87 0
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225760 87225961 1 N3O5C34H41 A3B5C34D41 -127.02 3.37 -8.66 -0.94 0
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225761 87225962 1 FN2O4C32H39 AB2C4D32E39 -134.23 3.92 -8.44 -0.24 0
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225762 87225965 1 N2O5C28H40 A2B5C28D40 -162.51 3.45 -8.39 -0.21 0
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225763 87225966 1 N2O5C28H40 A2B5C28D40 -159.62 3.74 -8.37 -0.18 0
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225764 87225971 1 N2O6C29H32 A2B6C29D32 -145.99 1.98 -8.46 -0.66 0
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225765 87225976 1 N2O4C27H36 A2B4C27D36 -153.27 6.3 -8.78 -0.6 0
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225766 87225979 1 N2O3C10H18 A2B3C10D18 -157.53 4.01 -9.5 0.53 0
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225767 87225982 1 BrPO3C11H16 ABC3D11E16 -189.14 2.3 -9.58 -0.18 0
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225768 87225995 1 N2O3C11H20 A2B3C11D20 -165.15 3.14 -9.7 0.84 0
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225769 87225996 1 N3O6C38H51 A3B6C38D51 -180.11 7.34 -8.72 -0.9 0
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225770 87225997 1 OS2N3C23H23 AB2C3D23E23 56.05 2.14 -8.26 -0.93 0
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225771 87225999 1 N2F3O6C19H23 A2B3C6D19E23 -382.32 5.5 -8.52 -1.28 0
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225772 87226000 1 N2O4C17H22 A2B4C17D22 -147.64 3.66 -8.72 -0.92 0
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225773 87226021 1 NSO5H17C19 ABC5D17E19 -91.23 11.31 -8.44 -1.58 0
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225774 87226032 1 N4C13H18 A4B13C18 62.61 5.61 -8.99 -0.2 0
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225775 87226037 1 ON3C9H19 AB3C9D19 -40.58 6.95 -9.03 1.1 0
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225776 87226042 1 BrNO3C14H16 ABC3D14E16 -120.35 4.25 -9.62 -0.64 0
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225777 87226047 1 OSF2N3H19C22 ABC2D3E19F22 -34.87 2.3 -8.68 -1.12 0
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225778 87226052 1 Cl2O2N5H17C26 A2B2C5D17E26 97.69 4.78 -8.95 -2.11 0
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225779 87226057 1 ClOSN3H20C22 ABCD3E20F22 53.34 2.74 -8.66 -1.06 0
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225780 87226062 1 NaO2N3C5H13 AB2C3D5E13 -45.86 7.37 0.0 0.0 0
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225781 87226067 1 SN3O5C21H23 AB3C5D21E23 -35.8 4.18 -8.67 -0.76 0
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225782 87226077 1 O5C14H26 A5B14C26 -204.36 2.99 -9.8 -0.44 0
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225783 87226080 1 SN2O3C8H16 AB2C3D8E16 -131.14 3.85 -9.61 0.78 0
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225784 87226081 1 N2O5C34H38 A2B5C34D38 -103.77 6.4 -8.34 -0.58 0
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225785 87226084 1 NOH9C12 ABC9D12 68.95 5.24 -8.76 -1.15 0
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225786 87226087 1 BrOSiC16H19 ABCD16E19 16.83 4.17 -7.92 -0.56 0
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225787 87226088 1 N3O6C35H47 A3B6C35D47 -222.62 4.99 -8.64 -0.43 0
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225788 87226090 2 NO2C15H20 AB2C15D20 -160.22 3.69 -8.37 -0.19 0