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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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138313 52345743 1 ClN5C14H18 AB5C14D18 105.67 7.26 -9.63 -0.42 1
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138314 52345744 1 ClON3C16H23 ABC3D16E23 28.2 5.94 0.0 0.0 0
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138315 52345745 1 ClON3C16H22 ABC3D16E22 17.27 1.09 -9.33 -0.21 0
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138316 52346248 1 ON2C16H24 AB2C16D24 -46.3 3.08 -9.21 0.38 1
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138317 52346812 1 N3O3C22H30 A3B3C22D30 -70.85 1.85 0.0 0.0 0
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138318 52347057 2 N2O2C9H9 A2B2C9D9 -10.93 9.72 -9.44 -1.23 0
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138319 52347110 1 SO2N4C18H24 AB2C4D18E24 -45.7 2.29 -8.67 -0.78 0
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138320 52347270 1 SF2N4O4H14C15 AB2C4D4E14F15 -191.88 3.23 -9.06 -1.13 1
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138321 52347892 1 O2N4C22H29 A2B4C22D29 4.65 6.29 0.0 0.0 0
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138322 52348106 1 OSN6C18H20 ABC6D18E20 64.49 3.6 -8.47 -0.81 0
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138323 52348276 1 ON4C11H18 AB4C11D18 0.23 5.69 -9.34 0.57 0
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138324 52348277 1 ON4C16H28 AB4C16D28 -42.62 1.86 -9.39 0.81 1
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138325 52348450 1 SN2O3C9H11 AB2C3D9E11 -73.86 1.89 0.0 0.0 0
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138326 52348451 1 SN2O3C9H10 AB2C3D9E10 -77.35 7.06 -9.2 -0.79 0
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138327 52348602 1 N4O4C19H24 A4B4C19D24 -102.64 5.15 -8.2 0.1 0
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138328 52348603 1 SO4N5C16H19 AB4C5D16E19 -25.46 7.36 -8.55 -1.56 0
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138329 52348604 1 SO4N5C16H19 AB4C5D16E19 -21.96 10.88 -8.4 -1.62 0
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138330 52348946 1 ON2C19H24 AB2C19D24 -8.27 2.0 -8.75 0.18 0
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138331 52348947 1 BrON6H15C16 ABC6D15E16 72.01 7.57 -9.43 -1.25 0
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138332 52349107 1 NO2S2H19C20 AB2C2D19E20 -7.22 5.04 -8.91 -0.12 0
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138333 52349720 1 ClON4C20H21 ABC4D20E21 66.07 4.04 -8.39 -0.86 0
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138334 52350415 1 SO3N4C19H22 AB3C4D19E22 -64.46 2.98 -8.94 -1.03 1
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138335 52350487 1 ClOSN4C19H22 ABCD4E19F22 77.87 5.28 0.0 0.0 0
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138336 52350488 1 ClOSN4C19H21 ABCD4E19F21 57.33 1.67 -8.88 -1.32 0
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138337 52351040 1 SCl2N2O2H16C17 AB2C2D2E16F17 -62.34 4.91 -9.19 -0.76 0