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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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138938 52446335 1 SN3O5C23H31 AB3C5D23E31 -181.18 4.14 -8.62 -1.07 0
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138939 52446412 1 ClO3N4C19H25 AB3C4D19E25 -118.36 3.44 -8.7 -0.53 0
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138940 52446560 1 SN2O4C19H22 AB2C4D19E22 -98.98 4.48 -9.06 -1.19 1
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138941 52446902 1 O2N3C21H34 A2B3C21D34 -70.67 12.03 0.0 0.0 0
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138942 52447501 1 F2O2N3H19C20 A2B2C3D19E20 -125.38 4.62 -8.94 -0.47 0
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138943 52447506 1 F3N3O3H20C21 A3B3C3D20E21 -228.3 3.91 -8.89 -0.46 0
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138944 52447507 1 ClFN4O4H18C20 ABC4D4E18F20 -89.14 5.13 -9.13 -1.42 0
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138945 52447737 1 BrFN3O3C21H21 ABC3D3E21F21 -124.05 3.44 -8.93 -0.3 0
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138946 52447785 1 OSN3F5H16C20 ABC3D5E16F20 -231.78 4.22 -8.86 -0.95 0
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138947 52448105 1 SF3N3O3H18C21 AB3C3D3E18F21 -193.62 2.53 -9.12 -0.88 0
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138948 52448359 1 SN2O3H20C24 AB2C3D20E24 -17.13 5.11 -8.68 -1.17 0
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138949 52448360 1 SN2O2H18C23 AB2C2D18E23 25.1 6.27 -8.7 -1.22 0
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138950 52448361 1 SN2O4H18C24 AB2C4D18E24 -38.66 6.16 -8.35 -1.26 0
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138951 52448469 1 NSO3C17H27 ABC3D17E27 -128.65 3.96 -8.33 0.17 0
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138952 52448470 1 NSO3C17H27 ABC3D17E27 -129.84 4.02 -8.34 0.16 0
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138953 52448471 1 FSO2N3C15H18 ABC2D3E15F18 -102.99 5.18 -8.98 -0.85 0
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138954 52448472 1 NSO3C17H27 ABC3D17E27 -130.46 2.18 -8.28 0.19 0
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138955 52448473 1 FSO2N3C15H18 ABC2D3E15F18 -102.93 5.01 -8.97 -0.85 0
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138956 52448726 1 NCl2O3H13C15 AB2C3D13E15 -94.17 2.17 -9.0 -0.98 0
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138957 52448727 1 NO6C12H13 AB6C12D13 -163.06 7.58 -11.24 -1.82 0
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138958 52448744 1 NSO4C14H21 ABC4D14E21 -166.44 4.6 -9.64 -1.18 0
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138959 52448749 1 SN4O4H14C19 AB4C4D14E19 33.71 7.01 -9.38 -1.42 0
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138960 52448797 1 NO2C16H17 AB2C16D17 -61.14 3.52 -9.28 -0.93 0
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138961 52448803 3 OC6H6 AB6C6 -70.06 3.17 -8.91 -0.58 0
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138962 52448814 1 NO5C18H23 AB5C18D23 -200.92 5.42 -9.9 -1.56 0