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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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150056 53789741 1 SN5O10C45H55 AB5C10D45E55 -351.53 6.46 -9.13 -0.79 0
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150057 53789742 1 SN5O6C35H45 AB5C6D35E45 -209.57 6.64 -9.3 -0.95 0
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150058 53789743 1 FN3O3C23H26 AB3C3D23E26 -126.07 2.35 -8.46 -0.72 0
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150059 53789744 1 PN6O8C16H25 AB6C8D16E25 -357.76 4.55 -9.64 -1.12 0
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150060 53789745 1 FN3O3C23H28 AB3C3D23E28 -133.0 5.77 -8.78 -1.13 1
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150061 53789746 1 NC25H32 AB25C32 71.2 0.66 0.0 0.0 0
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150062 53789747 1 OC31H48 AB31C48 -74.48 2.1 -9.08 0.42 0
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150063 53789748 1 NO3C20H27 AB3C20D27 -85.7 3.92 -8.89 -0.1 0
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150064 53789749 1 N2O7C34H42 A2B7C34D42 -262.29 4.4 -9.32 -0.01 0
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150065 53789750 1 NO3C8H15 AB3C8D15 -159.07 2.28 -9.84 0.75 0
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150066 53789751 1 NO4C11H13 AB4C11D13 -87.99 7.51 -10.48 -1.42 0
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150067 53789752 1 FNOC19H24 ABCD19E24 -74.6 2.62 -8.35 0.03 0
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150068 53789753 1 ClF2O2H15C18 AB2C2D15E18 -143.49 0.67 -9.54 -0.57 0
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150069 53789755 3 FH7C10 AB7C10 -41.97 3.95 -9.03 -0.58 1
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150070 53789756 1 SO2N5C10H16 AB2C5D10E16 -30.13 6.06 0.0 0.0 0
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150071 53789757 1 O5C14H28 A5B14C28 -264.81 1.88 -9.79 0.53 0
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150072 53789758 1 N3O3C19H21 A3B3C19D21 -50.23 5.51 -9.06 -1.34 0
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150073 53789759 1 NO2C35H49 AB2C35D49 -89.88 6.24 -9.29 -0.59 0
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150074 53789760 1 N2O2S3C8H14 A2B2C3D8E14 -45.19 5.41 -9.17 -1.56 0
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150075 53789761 1 N3O4C22H37 A3B4C22D37 -186.78 4.48 -7.99 0.5 0
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150076 53789762 1 OSN3C10H15 ABC3D10E15 -15.6 3.71 -8.85 -0.82 0
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150077 53789763 1 BrN4H21C24 AB4C21D24 116.39 3.6 -8.97 -1.13 0
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150078 53789764 1 NOC18H25 ABC18D25 -52.47 4.66 -8.32 -0.15 0
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150079 53789765 1 NO2C29H33 AB2C29D33 -38.53 3.49 -8.96 -0.04 0
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150080 53789766 1 N2O3C6H6 A2B3C6D6 -91.19 6.19 -9.49 -1.06 0