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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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77627 49658470 1 N3O3C22H23 A3B3C22D23 -77.13 6.69 -8.49 -0.8 0
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77628 49658473 1 N2F3O3H15C19 A2B3C3D15E19 -233.16 6.98 -9.28 -1.05 0
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77629 49658475 1 FN2O5H19C20 AB2C5D19E20 -192.38 6.64 -8.57 -1.19 0
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77630 49658480 1 ClN3O3H18C21 AB3C3D18E21 -70.68 5.05 -8.59 -1.16 0
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77631 49658483 1 ClN2O4H17C19 AB2C4D17E19 -119.87 7.02 -9.16 -1.23 0
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77632 49658501 1 ClFSO2N5H13C19 ABCD2E5F13G19 9.57 6.77 -9.07 -1.51 0
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77633 49658502 1 ClSO2N5H16C20 ABC2D5E16F20 44.84 7.81 -9.02 -1.5 0
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77634 49658510 1 ClFSO2N5H13C19 ABCD2E5F13G19 8.35 5.17 -9.03 -1.56 0
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77635 49658529 1 ClO2N7H18C22 AB2C7D18E22 106.48 4.87 -9.52 -1.3 0
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77636 49658534 1 ClSO4N5H18C20 ABC4D5E18F20 -49.29 8.74 -9.2 -1.66 0
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77637 49658540 1 ClSO4N5H20C21 ABC4D5E20F21 -54.49 4.43 -9.36 -1.83 0
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77638 49658547 1 ClS2N3O3H20C21 AB2C3D3E20F21 -43.09 3.59 -8.44 -1.63 0
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77639 49658550 1 S2N3O4C24H27 A2B3C4D24E27 -94.65 1.4 -8.25 -1.46 0
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77640 49658552 1 S2N3O4C25H27 A2B3C4D25E27 -88.37 3.52 -8.22 -1.52 0
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77641 49658556 1 S2N3O4C20H27 A2B3C4D20E27 -121.47 3.65 -8.29 -1.27 0
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77642 49658559 1 S2N3O4C23H31 A2B3C4D23E31 -126.17 5.51 -8.01 -1.24 0
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77643 49658563 1 FS2N3O4C23H24 AB2C3D4E23F24 -127.71 2.3 -8.23 -1.39 0
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77644 49658565 1 SN2O5C24H24 AB2C5D24E24 -49.23 1.55 -8.74 -1.02 0
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77645 49658567 1 N2O2S2H16C19 A2B2C2D16E19 66.09 1.16 -8.95 -1.18 0
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77646 49658569 1 ClN2S2O4H15C20 AB2C2D4E15F20 -13.78 3.36 -8.89 -1.37 0
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77647 49658570 1 SN2O4C24H24 AB2C4D24E24 -39.1 7.19 -9.27 -0.94 0
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77648 49658571 1 SN2O4C25H26 AB2C4D25E26 -45.04 5.95 -9.37 -1.13 0
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77649 49658574 1 S2N3O3H19C21 A2B3C3D19E21 23.0 6.06 -8.64 -1.79 0
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77650 49658582 1 FS2N3O3H16C20 AB2C3D3E16F20 -14.81 5.92 -9.12 -1.82 0
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77651 49658583 1 FS2N3O3H16C20 AB2C3D3E16F20 -17.35 4.81 -8.7 -1.92 0