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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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229941 87569600 2 O2C14H27 A2B14C27 -283.96 7.97 -10.36 0.56 0
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229942 87569602 1 NSiO2C25H54 ABC2D25E54 -228.83 3.05 0.0 0.0 0
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229943 87569604 1 O2N4F6H26C31 A2B4C6D26E31 -252.61 5.59 -9.57 -1.22 0
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229944 87569607 1 ClFSN2O3C16H24 ABCD2E3F16G24 -178.88 11.01 -9.64 -0.72 0
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229945 87569609 1 ClOSN7C25H34 ABCD7E25F34 36.7 5.85 -8.73 -0.82 0
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229946 87569611 1 O2N3F6H17C26 A2B3C6D17E26 -295.48 7.15 -10.15 -1.27 0
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229948 87569624 1 BrCl2N2H7C8 AB2C2D7E8 11.73 3.62 -8.83 -1.77 0
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229949 87569625 2 O2C11H21 A2B11C21 -262.69 7.73 -10.41 0.63 0
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229950 87569630 1 CKNOS ABCDE -33.82 9.55 -7.61 -0.18 0
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229951 87569631 1 ClLiNH3C5 ABCD3E5 32.03 5.24 -7.89 0.66 0
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229952 87569632 1 O4C23H44 A4B23C44 -267.1 8.61 -10.4 0.65 0
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229953 87569633 1 FN2O2C21H27 AB2C2D21E27 -117.03 4.37 -9.28 -0.16 0
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229954 87569634 1 SiO3C6H14 AB3C6D14 -206.89 2.37 -10.19 0.88 0
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229955 87569636 1 N3O6C34H49 A3B6C34D49 -193.14 8.72 -8.36 -0.63 0
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229956 87569638 1 OF3N3C10H12 AB3C3D10E12 -174.02 2.42 -9.87 -0.19 0
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229957 87569640 1 OF3N3C10H12 AB3C3D10E12 -163.45 5.47 -9.96 -0.55 0
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229958 87569645 1 ClFSO2N4C24H32 ABCD2E4F24G32 -104.53 3.11 -8.81 -0.76 0
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229959 87569651 1 C3F3S3H5O9 A3B3C3D5E9 -530.61 0.65 -12.4 -1.69 0
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229960 87569657 1 SF3N3O6H32C33 AB3C3D6E32F33 -300.21 7.17 -8.58 -1.07 0
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229961 87569659 1 ClFNOH9C10 ABCDE9F10 -25.27 1.93 -9.17 -0.65 0
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229962 87569666 2 NO2H13C14 AB2C13D14 -17.39 7.22 -8.89 -1.03 0
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229963 87569684 1 FNO6C29H32 ABC6D29E32 -196.55 3.65 -8.59 -0.52 0
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229964 87569699 1 ClSN2O4F7H20C22 ABC2D4E7F20G22 -477.89 6.12 -10.06 -1.57 0
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229965 87569708 1 SN4O7C31H48 AB4C7D31E48 -293.91 4.56 -8.5 -0.18 0
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229966 87569712 2 BrSH5C7 ABC5D7 62.37 2.2 -8.71 -0.84 0
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229967 87569735 1 NO3C9H15 AB3C9D15 -115.99 3.2 -10.03 0.44 0
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229968 87569738 1 OCl2N4C20H20 AB2C4D20E20 34.33 2.87 -8.55 -1.46 0
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229969 87569741 1 ClF3N3O7H31C32 AB3C3D7E31F32 -356.16 4.41 -8.69 -1.32 0
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229970 87569743 1 BrNO11C27H28 ABC11D27E28 -417.04 5.26 -8.98 -1.84 0
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229971 87569744 1 ClSN2O2H9C11 ABC2D2E9F11 -18.85 3.16 -10.23 -1.38 0
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229972 87569746 1 FN2O3H19C23 AB2C3D19E23 -15.84 3.07 -9.07 -1.09 0
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229973 87569747 1 FCl2N3S3O5H18C23 AB2C3D3E5F18G23 -147.94 5.3 -9.38 -1.2 0
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229974 87569750 1 N2O9C18H20 A2B9C18D20 -218.1 9.06 -10.91 -1.75 0
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229975 87569763 1 SO9H24C25 AB9C24D25 -215.04 5.67 -8.94 -1.34 0
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229976 87569766 2 O8C29H32 A8B29C32 -306.28 5.02 -8.76 0.15 1
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229977 87569767 1 ClN2O4C13H18 AB2C4D13E18 21.41 12.01 0.0 0.0 0
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229978 87569771 1 SN5O7C22H25 AB5C7D22E25 -173.86 6.57 -9.98 -1.05 0
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229979 87569773 1 SCl2O2N7C27H35 AB2C2D7E27F35 -36.37 6.36 -8.65 -1.33 0
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229980 87569777 2 O6H16C17 A6B16C17 -440.99 1.4 -9.06 -0.52 0
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229981 87569784 1 ON2C5H10 AB2C5D10 -26.18 5.73 -9.49 0.91 0
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229982 87569785 2 PSN2O3C10H17 ABC2D3E10F17 -408.99 3.57 -9.28 -0.84 0
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229983 87569796 1 ClOSF3N3H17C23 ABCD3E3F17G23 -102.02 2.69 -9.37 -0.87 0
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229984 87569818 1 ClSO3N5C25H34 ABC3D5E25F34 -53.82 7.61 -8.7 -0.62 0
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229985 87569820 1 NO5C21H31 AB5C21D31 -193.27 3.45 -8.93 0.0 0
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229986 87569822 2 O2C10H19 A2B10C19 -257.61 3.05 -10.66 0.73 0
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229987 87569826 1 NOCl2H9C10 ABC2D9E10 14.69 2.39 -9.39 -0.53 0
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229988 87569827 1 SnI4O8C32H52 AB4C8D32E52 -366.7 5.0 -8.25 -2.05 0
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229990 87569830 2 IO2C6H9 AB2C6D9 -150.07 3.05 -9.57 -1.55 0
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229991 87569831 1 O2C43H50 A2B43C50 -40.61 3.59 -8.87 -1.03 0
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229992 87569834 2 OC15H30 AB15C30 -231.77 1.74 -10.38 0.92 0