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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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182560 76906513 1 N2O3C16H22 A2B3C16D22 -102.58 5.66 -9.07 -1.1 0
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182561 76907258 1 NSO4C15H21 ABC4D15E21 -154.06 5.78 -9.94 -1.21 0
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182562 76907259 1 ClNSO4C14H18 ABCD4E14F18 -148.72 2.87 -10.03 -1.6 0
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182563 76907260 1 SN3O4H11C12 AB3C4D11E12 -74.08 5.49 -9.16 -1.43 0
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182564 76907414 2 NO2H6C7 AB2C6D7 -86.83 9.15 -9.44 -1.2 0
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182565 76907676 1 N2O3C16H16 A2B3C16D16 -70.79 5.98 -9.12 -0.98 0
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182566 76907809 1 NO3C16H21 AB3C16D21 -126.59 8.76 -9.02 -0.84 0
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182567 76908047 1 BrFNO4C14H15 ABCD4E14F15 -172.17 3.22 -9.86 -1.03 0
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182568 76908367 1 NO3C16H23 AB3C16D23 -104.61 8.25 -9.08 -0.89 0
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182569 76908368 1 NO3C17H23 AB3C17D23 -99.46 6.21 -8.84 -0.98 0
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182570 76908499 1 FN2O3C14H15 AB2C3D14E15 -131.23 8.17 -9.86 -0.94 0
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182571 76908500 1 FN2O3C14H15 AB2C3D14E15 -130.89 7.52 -9.68 -1.07 0
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182572 76908501 1 FN2O3C15H17 AB2C3D15E17 -140.26 8.02 -9.15 -1.01 0
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182573 76908502 1 N2O3C15H18 A2B3C15D18 -94.14 9.38 -9.06 -0.8 0
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182574 76908503 1 FN2O3C15H17 AB2C3D15E17 -141.78 6.35 -9.12 -0.84 0
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182575 76908504 1 NO3C16H21 AB3C16D21 -74.09 8.44 -8.94 -0.84 0
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182576 76908676 1 N2S2O3H12C13 A2B2C3D12E13 -25.27 6.59 -9.22 -1.19 0
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182577 76909368 1 NO3C16H21 AB3C16D21 -106.08 1.52 -9.05 -0.62 0
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182578 76909369 1 NO3C16H21 AB3C16D21 -103.08 6.04 -9.19 -1.05 0
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182579 76909370 1 FNO3C16H20 ABC3D16E20 -149.38 5.13 -9.21 -1.17 0
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182580 76909371 1 FNO2C16H22 ABC2D16E22 -113.92 8.3 -9.04 -1.01 0
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182581 76909372 1 NO2C18H19 AB2C18D19 -22.15 6.45 -9.2 -0.7 0
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182582 76910215 1 O3N4C14H20 A3B4C14D20 -69.2 1.89 -9.29 -0.62 0
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182583 76910216 1 O3N4C9H18 A3B4C9D18 -104.18 2.23 -9.28 0.32 0
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182584 76910217 1 O3N4C14H18 A3B4C14D18 -64.66 7.45 -9.34 -0.81 0
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182585 76910632 1 SF2N3O3C12H17 AB2C3D3E12F17 -162.1 5.07 -8.92 -1.06 0
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182586 76910633 1 SO3N5C11H21 AB3C5D11E21 -75.2 6.06 -8.82 0.05 0
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182587 76910745 1 O2N3C9H19 A2B3C9D19 -72.52 3.75 -8.85 0.93 0
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182588 76910822 1 N2O3C16H20 A2B3C16D20 -71.09 11.94 -8.9 -0.59 0
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182589 76910823 1 O2N3C16H31 A2B3C16D31 -95.66 3.68 -8.85 0.93 0
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182590 76910824 1 O2N3C15H23 A2B3C15D23 -58.29 2.83 -9.02 0.22 0
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182591 76910825 1 F2N3O3C13H17 A2B3C3D13E17 -174.31 3.7 -8.77 -0.63 0
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182592 76910854 1 SN3O3C9H21 AB3C3D9E21 -100.11 6.63 -8.94 0.81 0
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182593 76910855 1 ClN3O3C13H18 AB3C3D13E18 -75.45 5.52 -8.9 -0.57 0
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182594 76911166 1 NO3C17H25 AB3C17D25 -116.27 3.61 -8.93 -0.45 0
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182595 76911481 1 ClN3O3C13H18 AB3C3D13E18 -94.18 3.36 -9.13 -0.82 0
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182596 76911892 1 NO2C18H27 AB2C18D27 -78.94 5.67 -8.82 -1.0 0
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182597 76911893 1 NO2C17H23 AB2C17D23 -43.25 4.16 -8.98 -0.68 0
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182598 76911897 1 FNO2C17H22 ABC2D17E22 -91.02 4.99 -9.01 -1.05 0
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182599 76912066 1 ON3C16H25 AB3C16D25 -2.24 2.28 -8.56 -0.07 0
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182600 76912067 1 ON5C15H25 AB5C15D25 64.11 3.49 -8.46 -1.54 0
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182601 76912068 1 ON4C16H26 AB4C16D26 -6.02 2.07 -8.59 0.05 0
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182602 76912069 1 FON3C16H26 ABC3D16E26 -51.36 2.48 -8.66 -0.46 1
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182603 76912765 1 O2N4C14H15 A2B4C14D15 25.2 0.56 0.0 0.0 0
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182604 76912932 1 SN2O2H10C15 AB2C2D10E15 34.52 5.92 -9.26 -2.03 0
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182605 76913383 1 ClNO2C12H12 ABC2D12E12 -36.03 5.73 -9.27 -1.65 0
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182606 76913590 1 ClFN3C13H19 ABC3D13E19 -30.85 4.14 -8.64 -0.7 0
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182607 76913591 1 Cl2N3C13H19 A2B3C13D19 6.42 4.19 -8.75 -0.7 0
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182608 76913759 1 NC12H13 AB12C13 40.05 5.46 -9.05 -0.55 0
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182609 76913767 1 BrNSH6C8 ABCD6E8 71.07 3.69 -9.67 -1.3 0