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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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23416 603443 1 OSN4C12H12 ABC4D12E12 40.78 2.81 -8.51 -0.99 0
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23417 603445 1 N2S2O7H10C13 A2B2C7D10E13 -58.91 3.52 -9.43 -2.55 0
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23418 603446 3 FNH2C4 ABC2D4 -37.88 5.71 -10.89 -1.31 0
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23419 603447 1 FO3C9H9 AB3C9D9 -120.65 2.18 -8.84 -0.88 0
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23420 603448 2 NOC10H10 ABC10D10 -10.24 7.86 -8.52 -0.81 0
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23421 603449 1 NOC12H25 ABC12D25 -91.35 1.18 -8.54 2.68 0
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23422 603450 1 ClNO4H8C9 ABC4D8E9 -75.69 3.8 -10.62 -1.91 0
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23423 603451 1 ClO3N5H6C9 AB3C5D6E9 67.97 2.46 -9.94 -2.31 0
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23424 603452 1 ON3H19C20 AB3C19D20 45.26 2.57 -8.7 -0.18 0
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23425 603460 1 SO2F3C9H11 AB2C3D9E11 -258.67 5.56 -10.1 -1.44 0
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23426 603467 1 NO4C22H31 AB4C22D31 -161.18 5.73 -9.43 0.24 0
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23427 603468 1 NO3C15H25 AB3C15D25 -141.83 4.28 -9.3 1.07 0
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23428 603469 1 NO3C15H25 AB3C15D25 -150.61 4.06 -9.26 0.69 0
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23429 603476 1 FNO8C18H24 ABC8D18E24 -364.55 10.39 -8.8 -0.54 0
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23430 603477 1 ClN2O2H5C7 AB2C2D5E7 33.22 1.05 -9.15 -1.69 0
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23431 603478 1 NO4C26H33 AB4C26D33 -158.03 5.43 -9.3 0.31 0
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23432 603479 2 ON2C12H13 AB2C12D13 -16.84 7.01 -9.01 -0.76 0
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23433 603483 1 NO2F3H8C10 AB2C3D8E10 -134.99 3.83 -10.46 -1.34 0
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23434 603484 2 OC8H8 AB8C8 -26.28 4.37 -9.36 -0.24 0
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23435 603485 1 SN2O2C7H8 AB2C2D7E8 -45.04 3.95 -8.96 -0.33 0
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23436 603486 1 ClN3O6H8C16 AB3C6D8E16 2.77 6.47 -10.02 -2.36 0
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23437 603487 2 NOC9H15 ABC9D15 -115.41 2.85 -9.42 -0.84 0
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23438 603496 1 ON2H8C11 AB2C8D11 58.34 1.18 -9.33 -0.83 0
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23439 603531 1 SH8C12 AB8C12 98.79 2.99 -7.99 -1.21 0
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23440 603535 1 OH12C13 AB12C13 13.47 1.98 -8.35 -0.49 0
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23441 603541 1 ClON2C8H9 ABC2D8E9 -17.63 4.66 -9.09 -0.18 0
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23442 603542 1 ON2C14H14 AB2C14D14 52.22 7.25 -10.48 -0.33 0
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23443 603554 1 OH12C13 AB12C13 28.73 0.42 -9.08 0.27 0
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23444 603581 1 O2N3C17H25 A2B3C17D25 -91.02 2.22 -8.77 0.11 0
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23445 603582 1 ClN3O3C7H10 AB3C3D7E10 -100.21 4.32 -10.56 -0.8 0
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23446 603583 1 N3C14H17 A3B14C17 45.75 7.02 -8.85 -0.55 0
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23447 603584 2 NH11C13 AB11C13 95.98 3.07 -8.16 -0.23 0
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23448 603620 1 ClN2O4F6H9C16 AB2C4D6E9F16 -360.91 7.7 -9.56 -1.99 0
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23449 603681 1 PC15H26 AB15C26 -6.18 1.7 0.0 0.0 -5
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23450 603682 1 CoPC17H30 ABC17D30 -20.85 34.24 -10.99 -5.87 -7
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23451 603683 1 ClN2O4C13H15 AB2C4D13E15 -150.49 5.11 -7.99 -0.08 0
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23452 603694 1 SBr2H8C12 AB2C8D12 62.17 0.31 -8.69 -0.55 0
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23453 603764 1 FOH11C14 ABC11D14 -9.15 0.83 -9.62 -0.23 0
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23454 603773 1 N3O4C6H7 A3B4C6D7 -46.97 6.36 -10.6 -1.23 0
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23455 603800 1 ClNOSH4C7 ABCDE4F7 36.92 2.65 -8.77 -1.35 0
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23456 603801 2 NO2H8C10 AB2C8D10 -40.8 6.38 -8.46 -1.03 0
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23457 603806 1 O2H14C15 A2B14C15 -9.83 1.81 -9.03 -0.73 0
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23458 603807 2 NOC13H16 ABC13D16 -64.41 3.87 -8.61 -0.72 0
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23459 603824 1 NOH11C12 ABC11D12 1.28 4.01 -8.88 -0.52 0
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23460 603825 1 ON2C16H20 AB2C16D20 -6.22 2.38 -8.32 0.06 0
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23461 603827 1 NO2H7C11 AB2C7D11 -12.74 8.28 -9.67 -1.81 0
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23462 603829 1 ClNOSH4C7 ABCDE4F7 -24.98 2.29 -9.24 -0.82 0
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23463 603849 1 BrO3N4H9C11 AB3C4D9E11 3.33 7.35 -9.52 -1.48 0
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23464 603850 1 BrO2C11H11 AB2C11D11 -61.13 1.94 -10.0 -1.01 0
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23465 603851 1 ClBr2O2H9C14 AB2C2D9E14 -37.75 1.73 -9.9 -1.32 0