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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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230647 87571557 1 NOS2C10H11 ABC2D10E11 14.51 7.41 -8.71 -0.79 0
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230648 87571558 1 ON3C25H29 AB3C25D29 41.02 2.33 -8.73 -0.35 0
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230649 87571559 1 BrClSO2N4H12C18 ABCD2E4F12G18 39.03 6.47 -8.83 -1.17 -1
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230650 87571564 1 ClNO6C9H15 ABC6D9E15 -149.56 1.4 0.0 0.0 0
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230651 87571565 1 ClNO6C9H16 ABC6D9E16 -209.46 2.09 -11.26 -0.96 0
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230652 87571566 1 N3O3C14H17 A3B3C14D17 -53.55 7.25 -9.93 -0.49 1
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230653 87571567 1 N3O3C14H18 A3B3C14D18 -51.86 7.2 0.0 0.0 0
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230654 87571570 1 NO4C7H11 AB4C7D11 -127.45 4.28 -10.46 -0.84 0
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230655 87571571 1 O5N10C36H52 A5B10C36D52 -31.4 4.93 -8.48 -2.54 0
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230656 87571572 1 ClN2O3C18H19 AB2C3D18E19 -82.75 3.87 -9.06 -1.12 0
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230659 87571585 1 FeC6O7H12 AB6C7D12 -234.08 2.04 -8.93 0.64 0
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230660 87571586 1 FN2O10C26H37 AB2C10D26E37 -458.08 5.94 -8.76 -0.34 0
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230661 87571589 1 F2S2N3O6H27C31 A2B2C3D6E27F31 -192.33 10.27 -8.93 -1.26 0
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230662 87571590 1 FIN2O3C14H16 ABC2D3E14F16 -125.77 9.08 -9.49 -1.38 0
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230663 87571591 1 BrN2F3O9C22H26 AB2C3D9E22F26 -501.35 3.64 -9.3 -0.54 0
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230664 87571594 1 F2N3C20H25 A2B3C20D25 -48.76 4.86 -8.48 -0.6 0
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230665 87571599 1 ClSO2N10H23C24 ABC2D10E23F24 66.46 10.24 -9.36 -1.54 0
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230666 87571601 1 PdO2C14H28 AB2C14D28 -66.72 4.7 -7.26 0.53 0
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230668 87571605 1 NSO7C20H29 ABC7D20E29 -261.06 9.29 -9.6 -1.01 0
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230669 87571606 1 N2O3C21H42 A2B3C21D42 -203.59 8.68 -9.35 0.71 0
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230670 87571614 1 O3N5C29H37 A3B5C29D37 -28.55 5.28 -8.14 -0.43 0
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230671 87571621 1 SO3C6H14 AB3C6D14 -149.82 5.2 -8.88 0.24 0
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230672 87571623 1 ClNO5C19H26 ABC5D19E26 -180.85 2.8 -8.98 -0.48 0
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230673 87571625 1 ClSN2O5H15C16 ABC2D5E15F16 -121.61 5.8 -8.88 -1.25 0
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230674 87571626 1 KSO5H6C7 ABC5D6E7 -236.77 7.43 0.0 0.0 -1