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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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217124 85087292 2 O2C10H15 A2B10C15 -187.58 4.94 -10.21 -0.91 0
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217125 85087293 2 O2C10H15 A2B10C15 -158.34 7.76 -9.27 -0.94 0
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217126 85087295 1 ON2C22H26 AB2C22D26 1.62 1.33 -8.45 -0.52 0
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217127 85087296 1 O3C21H34 A3B21C34 -184.7 1.0 -9.44 0.8 0
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217128 85087299 1 ClO2N4C16H19 AB2C4D16E19 -36.8 4.32 -9.25 -0.67 0
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217129 85087300 1 BrO6C12H15 AB6C12D15 -268.5 5.45 -10.73 -0.66 0
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217130 85087301 1 OCl2N4C15H20 AB2C4D15E20 -25.86 5.06 -8.64 -0.75 0
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217131 85087302 1 N3O3H17C19 A3B3C17D19 -12.58 3.48 -8.89 -0.97 0
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217132 85087303 1 O2N5H17C18 A2B5C17D18 109.29 10.93 -8.88 -1.06 1
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217133 85087304 1 O3N5C16H24 A3B5C16D24 -95.37 1.88 0.0 0.0 0
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217134 85087305 1 ON5C19H21 AB5C19D21 88.97 3.2 -9.13 -1.61 0
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217135 85087307 1 NO4C19H29 AB4C19D29 -197.06 1.96 -8.74 0.18 0
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217136 85087310 1 OSN5C16H25 ABC5D16E25 6.24 1.65 -8.73 -0.75 0
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217137 85087311 1 NO3C20H33 AB3C20D33 -157.67 3.56 -8.95 0.41 0
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217138 85087312 1 NOC23H29 ABC23D29 -33.14 2.09 -8.38 0.21 0
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217139 85087313 1 ClO2F3N3C13H13 AB2C3D3E13F13 -202.31 7.92 -9.7 -0.95 0
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217140 85087316 1 ClOSN3C16H18 ABCD3E16F18 30.6 4.92 -8.69 -1.25 0
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217141 85087317 1 Br2N2C11H16 A2B2C11D16 -4.39 2.69 -8.82 -0.75 0
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217142 85087318 1 BrNOC17H22 ABCD17E22 -36.4 2.83 -9.61 -0.36 0
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217143 85087319 1 O2F3N4C15H17 A2B3C4D15E17 -212.42 5.25 -9.83 -0.28 0
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217144 85087321 1 ISiC13H25 ABC13D25 -33.36 2.6 -9.09 -0.4 0
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217145 85087323 1 O3N4H16C18 A3B4C16D18 21.25 12.28 -9.0 -1.98 0
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217146 85087324 1 N2O3C20H20 A2B3C20D20 -53.47 5.17 -8.62 -0.51 0
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217147 85087326 1 FSO3C18H21 ABC3D18E21 -177.38 6.57 -9.98 -0.88 0
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217148 85087327 1 O5C19H28 A5B19C28 -239.77 5.25 -9.85 -0.35 0
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217149 85087329 1 N2O2C21H24 A2B2C21D24 -26.83 6.21 -8.4 -0.11 0
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217150 85087332 1 OSN2C20H20 ABC2D20E20 39.25 8.79 -8.39 -0.75 1
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217151 85087341 1 NO3C14H20 AB3C14D20 -136.89 5.06 0.0 0.0 0
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217152 85087343 1 SeO2C17H22 AB2C17D22 -73.33 4.03 -8.78 -0.62 0
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217153 85087344 1 NO9C13H23 AB9C13D23 -358.27 4.38 -10.44 -0.68 0
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217154 85087345 1 N3O6C15H19 A3B6C15D19 -215.79 3.61 -9.85 -1.53 0
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217155 85087346 1 SN3O4C15H19 AB3C4D15E19 -107.4 3.53 -8.86 -1.6 0
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217156 85087347 1 NO3C21H23 AB3C21D23 -92.4 7.42 -9.7 -0.39 0
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217157 85087348 1 O2N3C20H27 A2B3C20D27 -22.29 5.01 -8.61 -0.12 0
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217158 85087349 1 NO2C22H27 AB2C22D27 -79.71 3.29 -8.28 -0.34 0
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217159 85087350 1 NO2C22H27 AB2C22D27 -43.89 2.72 -8.25 0.33 0
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217160 85087352 1 NO2C21H39 AB2C21D39 -161.85 2.94 -9.3 0.85 0
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217161 85087353 1 ClNO4C17H20 ABC4D17E20 -168.04 2.56 -8.48 -0.49 0
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217162 85087354 1 NCl2O2C17H17 AB2C2D17E17 -50.33 6.38 -8.44 -0.91 0
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217163 85087355 2 O4C8H9 A4B8C9 -323.18 7.03 -9.69 -1.47 0
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217164 85087356 1 N2O5C18H22 A2B5C18D22 -122.53 7.5 -9.8 -1.17 0
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217165 85087357 1 N2O5H14C18 A2B5C14D18 -83.1 3.04 -8.92 -0.83 0
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217166 85087358 1 PO5C17H23 AB5C17D23 -243.24 2.47 -9.27 -0.25 0
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217167 85087359 1 O7C17H22 A7B17C22 -258.73 2.9 -9.57 0.18 0
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217168 85087361 1 O4C21H22 A4B21C22 -79.13 3.24 -8.45 -0.01 0
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217169 85087366 1 OSSeN2C14H18 ABCD2E14F18 -10.16 6.51 -8.78 -1.11 0
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217170 85087367 1 SO3N5H9C15 AB3C5D9E15 131.36 2.12 -9.11 -2.27 0
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217171 85087368 1 N3O4H17C18 A3B4C17D18 -98.07 4.29 -8.43 -1.03 0
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217172 85087369 1 FO2N3C19H22 AB2C3D19E22 -51.33 6.83 -8.24 -1.06 0
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217173 85087370 1 N3O3C19H21 A3B3C19D21 -64.13 5.39 -8.46 -0.36 0