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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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24987 616265 1 NH15C17 AB15C17 67.69 2.41 -8.26 -0.15 0
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24988 616267 1 O2N5C14H19 A2B5C14D19 -15.29 0.81 -8.04 -0.32 0
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24989 616276 2 NOH7C8 ABC7D8 63.03 0.8 -8.49 -1.4 0
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24990 616277 2 NH7C8 AB7C8 69.07 1.16 -9.13 -0.89 0
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24991 616286 1 Cl3N3O3H8C13 A3B3C3D8E13 -12.23 2.63 -9.29 -2.26 0
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24992 616319 1 O2N3H15C18 A2B3C15D18 9.39 3.67 -8.92 -1.44 0
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24993 616334 1 O5C26H30 A5B26C30 -156.95 3.36 -8.47 -0.73 0
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24994 616428 1 NOH15C17 ABC15D17 24.47 3.99 -9.34 -0.55 0
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24995 616450 18 CH AB 17.93 1.07 -8.7 0.43 0
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24996 616465 1 SO4N5C16H23 AB4C5D16E23 -115.15 3.91 -8.54 -0.36 0
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24997 616466 1 ION3H8C14 ABC3D8E14 114.38 4.98 -9.21 -1.64 0
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24998 616468 1 SN3O3C19H21 AB3C3D19E21 -50.48 3.87 -8.45 -0.39 0
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24999 616469 2 N2H5C7 A2B5C7 99.83 5.85 -8.68 -0.81 0
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25000 616470 1 O6C17H18 A6B17C18 -221.47 4.21 -8.49 -0.37 0
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25001 616471 1 O2S2H6C11 A2B2C6D11 -21.94 6.2 -9.04 -1.46 0
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25002 616473 1 OH14C17 AB14C17 38.37 1.36 -8.66 -0.38 0
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25003 616474 18 CH AB 53.12 0.09 -8.36 -0.42 0
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25004 616476 2 NH7C8 AB7C8 80.4 4.54 -8.49 -0.17 0
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25005 616505 1 ClPSN2O4C17H22 ABCD2E4F17G22 -214.09 5.55 -9.24 -1.02 0
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25006 616509 1 NO3C15H21 AB3C15D21 -148.08 6.42 -8.48 -0.36 0
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25007 616515 4 OC4H5 AB4C5 -182.11 5.05 -8.97 -0.2 0
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25008 616573 1 N3H13C15 A3B13C15 82.03 4.92 -8.79 -0.59 0
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25009 616631 1 NO3C13H17 AB3C13D17 -85.21 4.7 -8.74 -0.06 0
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25010 616634 1 NCl2Si2O5C22H37 AB2C2D5E22F37 -373.87 3.16 -8.88 -0.85 0
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25011 616635 1 BrO3H15C17 AB3C15D17 -73.9 0.88 -9.41 -1.29 0
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25012 616650 1 N2O3H14C17 A2B3C14D17 -63.01 3.5 -9.11 -0.99 0
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25013 616656 2 Cl2H9C13 A2B9C13 53.54 5.48 -9.51 -0.33 0
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25014 616657 1 OCl2C18H18 AB2C18D18 -30.38 4.75 -9.34 -0.35 0
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25016 616659 1 NSCl2C9H11 ABC2D9E11 -3.16 1.81 -8.92 -0.77 0
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25017 616660 1 ClION4C10H10 ABCD4E10F10 49.6 4.27 -9.24 -1.08 0
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25018 616662 1 BrNO2C12H12 ABC2D12E12 -60.29 3.09 -8.84 -0.84 0
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25019 616678 1 N4H16C17 A4B16C17 103.02 10.66 -8.52 -0.79 0
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25020 616715 2 OH6C8 AB6C8 30.48 3.55 -9.24 -0.9 0
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25022 616902 1 NiP2C19H40 AB2C19D40 52.17 2.9 -8.06 0.88 0
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25023 616903 1 C5H8 A5B8 44.75 0.46 -10.1 1.01 -2
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25024 616904 1 NiP2C17H38 AB2C17D38 39.5 3.13 -6.19 -1.18 0
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25025 616906 1 N2O4H10C15 A2B4C10D15 12.63 4.36 -9.04 -1.82 0
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25026 616952 1 ON2C19H22 AB2C19D22 2.88 2.28 -8.12 -0.28 0
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25027 617010 1 NS3H7C10 AB3C7D10 77.05 6.15 -8.41 -1.8 0
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25028 617280 4 OH3C4 AB3C4 -95.35 3.78 -9.48 -1.62 0
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25029 617286 1 NO2C17H17 AB2C17D17 -28.11 1.34 -8.59 -0.56 0
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25030 617292 1 ON2C19H22 AB2C19D22 -21.29 7.5 -9.08 -0.77 0
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25031 617297 1 N2O2C19H20 A2B2C19D20 -60.18 2.75 -8.73 -0.49 0
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25032 617305 1 O2N5H15C19 A2B5C15D19 72.95 4.63 -8.95 -0.99 0
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25033 617319 2 O2C24H47 A2B24C47 -388.42 2.38 -10.26 0.7 0
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25034 617477 1 FO3C21H29 AB3C21D29 -207.48 3.37 -9.62 0.3 0
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25035 617478 1 NO5C16H19 AB5C16D19 -68.47 5.19 -8.62 -0.55 0
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25036 617485 1 NO3C19H23 AB3C19D23 -68.52 4.56 -8.08 0.32 0
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25037 617486 1 OSN3C17H21 ABC3D17E21 10.73 3.25 -8.67 -0.42 0
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25038 617487 1 SCl2N2C11H12 AB2C2D11E12 26.26 1.2 -8.9 -0.36 0