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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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11320 113922 1 OSN2C19H20 ABC2D19E20 8.74 1.86 -8.29 -0.41 0
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11321 113936 1 ClO3C10H13 AB3C10D13 -124.8 1.58 -9.06 -0.21 0
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11322 114000 1 ON3C18H27 AB3C18D27 -8.2 2.27 -8.76 -0.63 0
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11323 114001 1 N2O2C13H14 A2B2C13D14 -27.46 5.32 -9.14 -1.73 0
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11324 114009 1 NSO3C28H39 ABC3D28E39 -121.54 4.19 -8.14 -0.47 0
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11325 114015 1 IN2O2C13H19 AB2C2D13E19 -19.75 35.84 -5.99 -1.68 0
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11326 114028 1 BrSN3C14H18 ABC3D14E18 71.21 2.24 -8.47 -0.63 0
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11327 114031 1 I2N2C11H20 A2B2C11D20 36.94 16.04 -7.39 -1.68 0
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11328 114042 1 NC12H23 AB12C23 -29.21 1.04 -8.28 1.53 0
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11329 114068 1 ClNSO3C12H20 ABCD3E12F20 -143.68 5.14 -9.28 -0.73 0
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11330 114069 1 NSO3C12H19 ABC3D12E19 -103.33 5.52 -8.92 -0.78 0
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11331 114100 1 ON3Cl5C15H22 AB3C5D15E22 -121.48 4.0 -9.02 -0.98 0
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11332 114101 3 ClNC5H6 ABC5D6 13.44 6.66 -8.85 -0.78 0
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11333 114102 1 PN2S2O4C8H17 AB2C2D4E8F17 -261.56 5.67 -9.41 -0.81 0
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11334 114109 1 PSN2C4O4H15 ABC2D4E4F15 -255.96 2.32 -9.07 -0.36 0
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11335 114118 1 ClINO3H11C20 ABCD3E11F20 -16.69 4.97 -8.85 -1.49 0
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11337 114130 1 ClNH18C19 ABC18D19 58.55 8.92 -9.25 -1.0 0
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11338 114131 1 NH18C19 AB18C19 75.51 2.18 0.0 0.0 1
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11339 114149 2 SN2C13H15 AB2C13D15 72.36 4.01 -8.57 -0.6 0
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11340 114183 1 NO9C25H35 AB9C25D35 -336.12 4.76 -8.77 -0.19 0
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11341 114184 1 NO3C21H29 AB3C21D29 -136.08 1.87 -8.56 0.33 0
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11343 114188 1 NOC23H33 ABC23D33 -46.33 4.0 -8.43 0.44 0
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11344 114204 1 ClNO3C25H30 ABC3D25E30 -119.52 5.14 -8.57 -0.26 0
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11345 114269 1 N2F3H9C10 A2B3C9D10 -123.83 7.85 -9.37 -0.56 0
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11346 114270 1 NSSeO4C13H17 ABCD4E13F17 -85.15 34.28 -7.99 -3.15 0
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11347 114273 1 NSSeO3C12H15 ABCD3E12F15 -95.39 4.01 -8.06 -0.13 0
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11348 114296 1 ClNSO2H9C10 ABCD2E9F10 -52.38 5.38 0.0 0.0 1
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11349 114306 1 FS3N9O10H22C27 AB3C9D10E22F27 -273.1 8.9 -9.43 -2.26 0
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11350 114313 1 ClSN2C22H31 ABC2D22E31 -14.61 4.5 -7.53 -0.06 0
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11351 114330 1 SN2C19H22 AB2C19D22 49.27 1.19 -8.08 -0.15 0
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11353 114395 1 ClNOC20H26 ABCD20E26 -44.13 0.45 -8.6 0.02 0
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11354 114404 1 NC19H23 AB19C23 31.27 1.36 -8.91 0.37 0
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11355 114420 1 ClNOC19H24 ABCD19E24 -31.17 1.89 -8.88 0.06 0
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11356 114488 2 O2C8H13 A2B8C13 -185.74 3.61 -10.56 -0.1 0
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11357 114496 1 O3C10H16 A3B10C16 -150.9 1.87 -10.35 1.92 0
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11358 114499 1 N2O6C29H38 A2B6C29D38 -164.33 5.71 -8.48 0.4 0
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11359 114506 1 OC20H36 AB20C36 -117.84 2.4 -9.93 2.95 0
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11360 114631 1 N2O5C23H28 A2B5C23D28 -194.04 5.15 -9.76 -0.22 0
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11361 114684 1 O9H20C21 A9B20C21 -312.07 8.95 -9.25 -1.77 0
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11363 114732 2 Cl2H2C5 A2B2C5 6.61 1.34 -9.34 -1.46 0
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11364 114772 1 NO3C8H11 AB3C8D11 -112.64 1.56 -8.8 -0.02 0
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11365 114773 1 NO4C25H37 AB4C25D37 -140.07 8.03 -8.35 0.27 0
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11366 114789 1 CH4 AB4 -12.29 0.0 -13.67 6.01 0
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11367 114790 1 AlH4O4 AB4C4 -81.01 0.49 0.0 0.0 -1
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11369 114798 1 N5C7H9 A5B7C9 69.86 4.88 -8.75 -0.91 0
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11370 114799 1 O8H16C17 A8B16C17 -288.67 10.09 -9.33 -1.25 0
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11371 114812 1 SN2O3C8H12 AB2C3D8E12 -112.39 4.29 -9.43 -0.23 0
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11372 114815 1 ClO6C24H27 AB6C24D27 -204.81 6.48 -8.33 -0.85 0
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11373 114817 1 ClON2C17H25 ABC2D17E25 -90.57 6.68 -8.79 -0.12 0
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11374 114838 2 Cl2H2C5 A2B2C5 15.31 0.0 -9.01 -1.46 0