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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