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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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11376 114849 1 O2N3C4H9 A2B3C4D9 -48.71 0.99 -9.98 -0.63 0
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11377 114851 1 O7C16H16 A7B16C16 -254.74 4.83 -8.75 -0.49 0
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11378 114859 1 N6O9H10C14 A6B9C10D14 62.92 4.5 -10.71 -2.72 0
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11379 114862 1 O3C18H20 A3B18C20 -96.29 6.8 -9.64 -1.66 0
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11380 114865 1 O4C21H34 A4B21C34 -196.08 2.55 -9.61 0.5 0
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11381 114869 1 SCl2N5C9H9 AB2C5D9E9 63.61 6.08 -9.11 -2.08 0
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11382 114900 1 OCl3H7C13 AB3C7D13 -14.72 1.83 -9.26 -1.25 0
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11383 114904 1 N3O4C26H31 A3B4C26D31 -143.73 4.66 -8.81 -0.14 0
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11384 114908 1 H3Cl5C10 A3B5C10 3.89 0.98 -9.5 -1.63 0
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11385 114911 1 NC17H17 AB17C17 41.56 1.77 -8.54 -0.22 0
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11386 114912 1 NO7C18H27 AB7C18D27 -305.45 3.23 -9.38 0.23 0
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11387 114916 1 O3C28H46 A3B28C46 -208.22 5.34 -9.38 2.4 0
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11388 114919 1 NO14C39H69 AB14C39D69 -706.59 10.4 -9.19 0.3 0
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11389 114922 1 O6C17H24 A6B17C24 -237.8 3.34 -9.84 0.6 0
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11390 114926 1 OC5N5H7 AB5C5D7 2.0 4.0 -9.13 -0.46 0
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11392 114940 1 SeH2 AB2 -2.81 1.32 -8.76 1.49 0
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11394 114957 1 N2O2C3H6 A2B2C3D6 -28.34 2.93 -9.75 0.03 0
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11395 114958 2 NSO3C12H14 ABC3D12E14 -215.64 5.22 -8.51 -1.23 0
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11396 114999 1 O7C28H36 A7B28C36 -281.89 6.15 -9.1 -0.14 0
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11397 115015 1 NS2C3O5H7 AB2C3D5E7 -208.43 5.25 -10.53 -1.92 0
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11398 115022 1 FeC3N3 AB3C3 147.07 1.96 0.0 0.0 0
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11399 115028 1 NO2C28H39 AB2C28D39 -94.82 3.63 -7.94 0.3 0
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11400 115029 1 PN5O7C14H18 AB5C7D14E18 -301.18 5.64 -9.51 -1.03 0
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11401 115033 1 NO3H11C15 AB3C11D15 -69.76 3.86 -8.97 -0.98 0
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11402 115044 1 N5O5C35H41 A5B5C35D41 -160.65 6.24 -8.42 -0.03 0
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11403 115045 2 O3C10H16 A3B10C16 -195.58 3.22 -8.91 1.0 0
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11404 115051 1 ClO3Br4H17C18 AB3C4D17E18 -68.27 0.62 -9.28 -0.73 0
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11405 115057 1 ClO6C43H55 AB6C43D55 -250.72 4.94 -9.68 -0.8 0
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11406 115090 1 FN2O3H11C12 AB2C3D11E12 -151.55 3.4 -9.35 -0.79 0
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11407 115091 1 S4O17N21C59H93 A4B17C21D59E93 -632.53 9.03 -9.07 -0.54 0
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11408 115097 1 N2C13H18 A2B13C18 -7.58 2.96 -8.7 0.52 0
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11409 115116 1 O3C18H22 A3B18C22 -131.71 4.6 -8.87 0.17 0
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11410 115119 2 NSeC2H6 ABC2D6 10.5 2.94 -7.86 -1.74 0
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11413 115146 1 N2O2C9H20 A2B2C9D20 -91.81 12.81 -8.06 -0.2 0
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11414 115147 1 N2O2C9H21 A2B2C9D21 -78.03 5.31 0.0 0.0 1
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11415 115148 1 FeNSO4H5 ABCD4E5 -181.36 5.91 -8.07 0.36 0
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11416 115150 2 N2O2C6H9 A2B2C6D9 -176.09 0.43 -9.79 -0.46 0
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11417 115151 1 Te A 78.49 0.0 -8.52 -2.91 4
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11418 115152 3 NOC3H3 ABC3D3 -80.64 3.86 -8.6 -0.49 0
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11419 115153 2 NOC8H8 ABC8D8 -21.89 7.38 -8.6 -0.35 0
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11420 115170 1 SN4O7C12H20 AB4C7D12E20 -322.04 7.69 -9.42 -0.32 0
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11421 115172 1 ClON3C7H20 ABC3D7E20 -36.06 0.66 -9.08 0.64 0
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11422 115229 1 ClO3C5H5 AB3C5D5 -118.82 4.02 -11.28 -1.44 0
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11423 115274 1 O4H12C13 A4B12C13 -127.07 4.1 -8.88 -0.64 0
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11424 115347 1 NOSC8H11 ABCD8E11 -21.45 2.51 -8.59 -0.21 0
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11425 115348 1 IN2O2C13H15 AB2C2D13E15 -40.34 6.78 -8.44 -1.28 0
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11426 115368 1 SO2N4C23H30 AB2C4D23E30 -48.5 3.65 -8.4 -0.58 0
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11427 115378 1 NO3C12H17 AB3C12D17 -115.25 4.23 -9.2 -0.46 0
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11428 115398 1 NO7C29H45 AB7C29D45 -345.93 4.86 -9.62 -0.42 0
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11429 115409 1 NO6C17H23 AB6C17D23 -271.06 2.94 -9.3 -0.1 0