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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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163947 74381033 1 FOCl2N7H24C26 ABC2D7E24F26 56.55 5.62 -8.79 -1.05 0
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163948 74381034 1 FON3C10H14 ABC3D10E14 -48.86 3.0 -8.73 0.29 0
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163949 74381035 1 ClFON3C10H13 ABCD3E10F13 -56.65 3.89 -8.81 -0.06 0
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163950 74381038 1 FN4O4C24H35 AB4C4D24E35 -174.93 3.93 -8.88 -0.34 0
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163951 74381041 1 NO3H21C22 AB3C21D22 26.07 8.61 -8.74 -0.93 0
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163953 74381044 1 O3N4C23H30 A3B4C23D30 -64.7 10.16 -9.48 -1.62 0
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163954 74381049 1 ClF3O4N6H28C29 AB3C4D6E28F29 -264.73 5.72 -9.16 -1.0 0
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163955 74381050 1 ClF3O4N7H27C28 AB3C4D7E27F28 -256.54 5.71 -9.2 -1.04 0
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163956 74381062 1 FSO2N5C24H26 ABC2D5E24F26 -31.45 5.4 -9.32 -0.83 0
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163957 74381069 1 O7N9C48H55 A7B9C48D55 -217.63 5.92 -8.54 -0.08 0
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163958 74381073 1 O2N6C25H34 A2B6C25D34 -5.02 7.35 -8.52 -0.1 0
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163959 74381074 1 N2O11C42H68 A2B11C42D68 -493.76 4.8 -8.52 -0.08 0
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163960 74381075 1 N2O9C33H58 A2B9C33D58 -427.46 3.01 -8.26 -0.14 0
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163962 74381078 1 SN3O4C27H35 AB3C4D27E35 -60.08 12.72 -7.84 -1.01 1
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163963 74381079 1 SN3O4C27H36 AB3C4D27E36 -75.28 5.45 0.0 0.0 1
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163968 74381121 1 CaN2O5C23H30 AB2C5D23E30 -274.86 4.73 -7.81 0.13 0
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163969 74381122 1 MgN2O5C23H30 AB2C5D23E30 -173.64 6.73 -7.29 -1.04 0
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163970 74381124 1 ClS2N3O4C17H18 AB2C3D4E17F18 -68.67 6.34 -9.52 -1.3 0
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163971 74381127 1 ClS2N4O5C18H19 AB2C4D5E18F19 -111.56 9.36 -9.74 -1.46 0
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163972 74381128 1 ClSN5O5C25H26 ABC5D5E25F26 -81.25 10.1 -9.26 -1.18 0
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163973 74381131 1 BrO3N5C29H32 AB3C5D29E32 -22.49 5.22 -8.87 -0.74 0
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163974 74381135 1 FN3O5C26H28 AB3C5D26E28 -126.98 9.43 -8.69 -1.36 0
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163975 74381139 1 ClO2F3N3H27C28 AB2C3D3E27F28 -168.31 6.23 -8.81 -0.6 0
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163977 74381155 1 O2F3N3H14C16 A2B3C3D14E16 -157.03 5.16 -9.88 -2.18 0
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163978 74381167 1 SO5C21H30 AB5C21D30 -208.44 5.98 -9.23 -0.9 0