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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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388360 134988910 1 ClNO2C14H16 ABC2D14E16 -79.72 2.75 -9.72 -1.31 0
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388361 134988915 1 BrClOSC12H14 ABCDE12F14 -17.46 3.04 -8.49 -0.43 0
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388362 134988922 1 OPCl3C8H14 ABC3D8E14 -117.64 4.36 -9.54 -0.3 0
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388363 134988924 1 I2N2C3H4 A2B2C3D4 72.67 6.1 -9.54 -2.0 0
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388364 134988925 1 NC10H19 AB10C19 -24.25 2.58 -9.7 1.27 0
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388365 134988926 3 NC5H5 AB5C5 78.92 2.45 -9.78 -0.42 0
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388366 134988932 1 SO3C7H10 AB3C7D10 -115.98 6.87 -9.36 -0.61 0
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388367 134988933 1 SO2C11H18 AB2C11D18 -89.55 4.37 -8.61 0.23 0
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388368 134988941 1 NOSbC6Cl6H14 ABCD6E6F14 -191.17 14.85 -11.33 -1.93 1
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388369 134988942 1 NOC6H14 ABC6D14 -40.56 0.74 0.0 0.0 0
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388370 134988944 1 NO3C6H13 AB3C6D13 -128.88 0.85 -9.75 0.66 0
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388371 134988955 2 OSC6H10 ABC6D10 -106.71 3.56 -8.53 0.01 0
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388372 134988956 1 NSC15H17 ABC15D17 51.24 5.25 -8.24 -0.73 0
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388373 134988957 1 NOSC15H21 ABCD15E21 -43.28 5.8 -8.71 -0.13 0
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388374 134988958 1 BrO4C13H19 AB4C13D19 -181.97 6.23 -9.92 -1.14 0
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388375 134988959 1 NOSiC10H23 ABCD10E23 -98.89 3.73 -9.0 1.44 0
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388376 134988962 1 ClSF2O2C9H13 ABC2D2E9F13 -226.03 2.64 -9.72 -1.05 0
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388377 134988984 1 SO3C13H16 AB3C13D16 -96.95 3.5 -8.82 -0.35 0
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388378 134988997 1 GeO2C10H18 AB2C10D18 -99.22 1.83 -9.64 -0.2 0
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388379 134989005 1 HgOCl2C8H14 ABC2D8E14 -64.55 2.56 -9.35 -0.81 0
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388380 134989006 1 O2C9H12 A2B9C12 -8.38 4.04 -9.06 0.26 0
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388381 134989007 1 ClOC10H11 ABC10D11 -12.46 2.97 -10.0 -0.18 0
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388383 134989019 1 NSO2F3C10H14 ABC2D3E10F14 -214.76 2.18 -8.74 -0.05 0
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388384 134989020 1 NOSeC13H17 ABCD13E17 -7.11 1.47 -8.15 -0.19 0
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388385 134989021 1 NOSeC16H31 ABCD16E31 -94.17 1.0 -8.54 0.02 0
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388386 134989022 1 NO2C11H19 AB2C11D19 -59.31 4.29 -8.1 0.75 0
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388387 134989023 1 NO2C9H11 AB2C9D11 -7.19 3.88 -8.59 -0.4 0
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388388 134989024 1 OS2C11H14 AB2C11D14 -8.96 4.01 -8.9 -1.09 0
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388389 134989025 1 NOSC8H17 ABCD8E17 -32.54 3.8 -8.46 -0.49 0
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388390 134989027 1 BrN2O3C10H11 AB2C3D10E11 -44.3 4.79 -9.23 -0.93 0
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388391 134989028 1 NOC15H17 ABC15D17 29.74 5.18 -8.48 -0.19 1
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388392 134989030 1 NO2C9H16 AB2C9D16 -94.38 4.49 0.0 0.0 0
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388393 134989031 1 OC15H18 AB15C18 -22.99 2.89 -9.4 0.27 0
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388394 134989032 1 KO2C6F9 AB2C6D9 -620.21 9.91 -10.05 -0.67 0
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388395 134989037 1 SSeC12H22 ABC12D22 -9.66 3.19 -8.26 0.1 0
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388396 134989042 1 NOC15H25 ABC15D25 -94.54 3.57 -9.75 1.29 0
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388397 134989043 1 NOSCl2H5C7 ABCD2E5F7 -14.71 1.36 -9.72 -1.21 0
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388398 134989044 1 NOC16H29 ABC16D29 -86.71 3.64 -9.36 1.2 0
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388400 134989046 1 IOC13H21 ABC13D21 -36.78 2.81 -9.16 -0.79 0
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388401 134989047 1 PO2Cl3C6H10 AB2C3D6E10 -159.13 7.03 -10.61 -0.58 0
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388402 134989048 1 SO2C14H24 AB2C14D24 -113.55 2.09 -9.23 -0.05 0
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388403 134989049 1 SO4H8C9 AB4C8D9 -89.33 1.92 -9.11 -1.57 0
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388404 134989052 1 NCl2C11H19 AB2C11D19 -38.78 2.66 -9.99 -0.13 0
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388405 134989053 1 SO2C6H12 AB2C6D12 -87.45 3.46 -8.92 -0.17 0
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388406 134989054 1 SN2O4C6H10 AB2C4D6E10 -28.42 9.49 -9.83 -0.66 0
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388407 134989060 1 O2S2C13H18 A2B2C13D18 -46.68 0.96 -8.96 -1.19 0
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388408 134989061 1 SSeCl2H8C13 ABC2D8E13 74.28 0.81 -8.86 -1.99 0
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388409 134989062 1 SSeC10H12 ABC10D12 46.51 1.73 -8.28 -0.18 0
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388410 134989065 1 OSeSiC11H16 ABCD11E16 -36.48 3.72 -7.99 -0.48 0
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388411 134989071 1 NF2O2C10H15 AB2C2D10E15 -173.63 5.77 -9.83 0.24 0