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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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48470 10586050 1 N2C15H30 A2B15C30 -26.34 1.73 -7.87 3.07 0
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48471 10586075 1 NSO3C11H13 ABC3D11E13 -93.74 6.49 -9.0 -0.78 0
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48472 10586175 1 O2N3H11C13 A2B3C11D13 54.97 2.22 -9.61 -1.15 0
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48473 10586197 1 O2N3C12H23 A2B3C12D23 -66.0 3.16 -10.28 -0.19 0
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48474 10586280 1 OC16H34 AB16C34 -121.38 2.1 -10.19 2.75 0
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48475 10586296 2 ON2H5C6 AB2C5D6 -10.73 3.69 -9.45 -1.74 0
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48476 10586553 1 BrO2C10H15 AB2C10D15 -79.42 1.92 -9.93 -0.44 0
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48477 10586603 1 ClNOSC11H18 ABCDE11F18 -64.51 3.5 -9.45 -1.02 0
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48478 10586604 1 NCl2O2C10H11 AB2C2D10E11 -20.64 1.69 -9.32 -1.41 0
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48479 10586612 1 O2F3C12H15 A2B3C12D15 -240.2 4.15 -9.14 -0.14 0
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48480 10586661 2 OC8H12 AB8C12 -84.7 3.64 -9.14 0.29 0
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48481 10586887 1 OF3H11C14 AB3C11D14 -154.08 3.84 -9.15 -0.75 0
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48482 10587212 1 ClSN2O2H9C10 ABC2D2E9F10 -33.25 1.04 -8.96 -1.01 0
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48483 10587213 1 ClO3C13H17 AB3C13D17 -122.46 4.97 -8.86 -0.09 0
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48484 10587215 2 ClNOH3C5 ABCD3E5 14.04 3.65 -9.01 -1.83 0
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48485 10587349 1 BrO2C11H15 AB2C11D15 -67.42 2.02 -9.54 -0.12 0
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48486 10587359 1 SN3O4C9H13 AB3C4D9E13 -113.03 4.41 -9.57 -0.9 0
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48487 10587360 1 SN3O4C9H13 AB3C4D9E13 -110.74 5.01 -9.64 -1.09 0
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48488 10587478 1 FNO3H12C14 ABC3D12E14 -121.37 9.2 -9.6 -1.25 0
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48489 10587532 1 N2O5H10C12 A2B5C10D12 -93.97 2.63 -10.12 -1.53 0
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48490 10587854 1 S3C12H26 A3B12C26 -58.52 3.78 -8.7 0.25 1
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48491 10587863 1 OSN2H11C12 ABC2D11E12 46.34 0.9 0.0 0.0 0
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48492 10587864 1 ClOC16H23 ABC16D23 -66.27 3.64 -8.49 0.44 0
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48493 10587868 1 BrN2O2H7C10 AB2C2D7E10 -0.24 5.65 -9.62 -1.13 0
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48494 10587964 1 O3H16C17 A3B16C17 -67.62 4.39 -8.49 -1.06 0
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48495 10587966 1 O3H16C17 A3B16C17 -61.62 4.06 -8.64 -0.51 0
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48496 10587968 1 N2O4C13H20 A2B4C13D20 -162.73 2.93 -9.64 -0.13 0
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48497 10588262 1 ON4C15H20 AB4C15D20 -3.01 8.35 -8.86 -0.47 0
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48498 10588417 1 SiS2C13H26 AB2C13D26 -47.83 1.07 -8.18 0.34 0
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48499 10588655 2 O2C8H11 A2B8C11 -171.84 2.47 -9.64 0.1 0
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48500 10588811 5 OC3H4 AB3C4 -202.06 4.82 -10.18 0.26 0
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48501 10588812 5 OC3H4 AB3C4 -120.44 3.72 -9.34 -0.2 0
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48502 10588814 1 O3H16C18 A3B16C18 -79.61 6.1 -9.68 -0.22 0
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48503 10588815 2 NO2C7H10 AB2C7D10 -143.28 3.03 -8.33 0.05 0
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48504 10588868 1 BrN2O2H9C11 AB2C2D9E11 -0.46 4.85 -9.46 -1.04 0
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48505 10852008 1 BrNO2H10C14 ABC2D10E14 -8.65 6.59 -9.67 -1.32 0
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48506 10852011 1 BF2O2C17H19 AB2C2D17E19 -226.13 4.59 -9.31 -0.59 1
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48507 10852013 1 N2C11H17 A2B11C17 37.15 3.57 0.0 0.0 0
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48508 10852036 1 SN2O4H12C14 AB2C4D12E14 -82.58 3.14 -9.37 -1.49 0
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48509 10852039 1 SN4O5C10H16 AB4C5D10E16 -190.59 8.16 -9.2 -0.83 0
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48510 10852040 1 O5C17H20 A5B17C20 -177.84 2.25 -9.51 0.06 0
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48511 10852044 2 NO2C8H10 AB2C8D10 -135.44 4.74 -8.56 -0.5 0
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48512 10852048 1 FN2O2C17H21 AB2C2D17E21 -113.66 3.49 -9.64 -0.42 0
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48513 10852051 1 SO2N4C14H16 AB2C4D14E16 -17.44 10.71 -8.66 -0.76 0
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48514 10852056 2 O2C9H12 A2B9C12 -193.78 2.79 -9.99 -0.69 0
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48515 10852282 1 NOC18H25 ABC18D25 -28.4 3.29 -8.48 0.36 0
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48516 10852284 1 ClNOC17H38 ABCD17E38 -113.76 13.3 -8.21 0.0 1
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48517 10852285 1 NOC17H38 ABC17D38 -77.27 0.87 0.0 0.0 0
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48518 10852286 1 BNaO6C13H16 ABC6D13E16 -359.3 6.16 -8.18 0.62 0
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48519 10852289 2 NO3C7H8 AB3C7D8 -107.87 6.54 -10.08 -1.37 0