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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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220922 85240509 1 O3H18C19 A3B18C19 -44.39 5.57 -9.39 -0.2 0
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220923 85240513 2 OC10H11 AB10C11 -41.23 1.51 -9.52 -0.02 0
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220924 85240515 1 N2O3C16H26 A2B3C16D26 -133.33 2.62 -9.03 0.58 0
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220925 85240518 1 SO3C16H22 AB3C16D22 -69.47 5.82 -8.62 -0.29 1
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220926 85240530 1 O4N5C12H18 A4B5C12D18 -137.57 6.7 0.0 0.0 0
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220927 85240531 1 O2N5H13C15 A2B5C13D15 134.36 5.32 -9.29 -1.58 0
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220928 85240539 1 NO2C19H21 AB2C19D21 -39.77 2.29 -8.35 -0.29 0
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220929 85240540 1 NO2C19H21 AB2C19D21 -29.7 1.99 -8.23 0.1 0
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220930 85240541 1 NS2O3C13H13 AB2C3D13E13 -65.79 4.16 -8.67 -0.76 0
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220931 85240620 1 O2N3C17H21 A2B3C17D21 -29.75 6.51 -9.43 -0.91 0
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220932 85240622 1 NO2C19H25 AB2C19D25 22.55 0.94 -8.69 -0.27 0
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220933 85240629 1 ION2H9C10 ABC2D9E10 37.79 5.49 -9.82 -2.59 1
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220934 85240630 1 BrO2N5C9H11 AB2C5D9E11 -13.39 1.19 0.0 0.0 0
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220935 85244535 1 ClNO5C27H46 ABC5D27E46 -260.18 14.68 -7.75 -0.66 0
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220936 85244542 1 N2O3H28C33 A2B3C28D33 -1.48 2.47 -9.32 -0.73 0
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220937 85244556 1 SN5O6C22H39 AB5C6D22E39 -260.77 13.54 -9.38 -0.74 0
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220939 85244558 1 BrNSF4O4C18H20 ABCD4E4F18G20 -312.4 2.79 -8.96 -1.86 0
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220940 85244560 1 O9H22C28 A9B22C28 -261.49 6.53 -8.96 -1.56 0
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220941 85244561 2 N3O4C11H13 A3B4C11D13 -267.84 6.87 -8.14 -0.53 0
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220942 85244562 1 N2O7H26C28 A2B7C26D28 -216.84 2.76 -8.76 -0.58 0
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220943 85244570 2 SiC17H19 AB17C19 52.03 0.51 -8.03 -0.31 0
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220944 85244571 1 ClN2O6C26H31 AB2C6D26E31 -248.65 1.94 -9.5 -0.39 0
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220945 85244572 1 NF3O6H24C26 AB3C6D24E26 -308.29 4.68 -8.78 -0.98 0
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220946 85244573 1 NSO14C17H29 ABC14D17E29 -598.98 6.33 -10.21 -0.95 0
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220947 85244574 1 SO2N9H13C25 AB2C9D13E25 216.47 3.82 -9.28 -1.74 0
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220948 85247936 1 SN2O4C9H12 AB2C4D9E12 -156.28 2.93 -9.19 -0.26 0
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220949 85247937 1 O5C12H20 A5B12C20 -243.65 1.9 -10.03 -0.04 0
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220950 85247938 1 O5C12H20 A5B12C20 -224.03 3.66 -10.07 0.48 0
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220951 85247941 1 OSN2H12C13 ABC2D12E13 69.34 10.0 -7.85 -1.39 0
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220952 85247944 2 OC8H10 AB8C10 -21.72 2.18 -8.78 0.07 0
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220953 85247945 2 OC8H10 AB8C10 -34.32 2.96 -8.56 0.42 0
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220954 85247953 1 NO3C14H15 AB3C14D15 -94.63 2.6 -9.53 -0.42 0
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220955 85247959 1 PSC5O7H11 ABC5D7E11 -390.62 4.57 -9.73 -0.5 1
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220956 85247963 1 N2O3C13H15 A2B3C13D15 -44.63 4.53 0.0 0.0 0
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220957 85247964 1 SO3H10C13 AB3C10D13 -51.74 1.5 -8.94 -1.15 0
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220958 85247974 2 OC8H11 AB8C11 -80.42 2.14 -8.44 0.31 0
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220959 85247991 1 PO6C9H13 AB6C9D13 -303.09 4.47 -10.68 -0.1 0
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220960 85247995 1 ON2H12C16 AB2C12D16 33.09 2.33 -9.34 -1.29 0
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220962 85248003 1 O3C15H20 A3B15C20 -107.7 5.51 -10.07 -0.02 0
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220963 85248007 2 OC8H12 AB8C12 -91.11 2.55 -9.65 0.76 0
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220964 85248010 2 OC8H12 AB8C12 -80.3 1.86 -9.23 0.5 0
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220965 85248012 1 OC17H28 AB17C28 -52.16 4.14 -9.19 0.02 0
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220968 85248021 1 NO4C13H15 AB4C13D15 -141.07 3.55 -10.1 -0.69 0
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220969 85248031 1 NOSiC14H23 ABCD14E23 -77.12 3.1 -8.98 0.4 0
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220970 85248033 2 NO2C6H7 AB2C6D7 -138.97 0.61 -8.61 -0.23 0
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220971 85248040 1 O3C15H22 A3B15C22 -109.52 3.61 -8.56 0.29 0
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220972 85248046 1 SO2C14H18 AB2C14D18 -67.76 4.74 -8.44 -0.18 0
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220973 85248061 1 NO2H13C16 AB2C13D16 33.73 0.93 -8.82 -0.77 0
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220974 85248062 1 NOF3C12H20 ABC3D12E20 -218.3 4.9 -9.65 0.77 0
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220975 85248064 1 NO3C14H21 AB3C14D21 -68.0 0.65 -8.21 -0.15 0