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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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42254 8149360 1 OSN4C19H22 ABC4D19E22 2.94 2.15 -8.64 -0.9 1
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42255 8149361 1 OS2N4H17C18 AB2C4D17E18 73.34 5.62 0.0 0.0 0
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42256 8149362 1 OS2N4H16C18 AB2C4D16E18 58.27 2.35 -8.72 -1.08 1
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42257 8149363 1 OS2N4H17C18 AB2C4D17E18 74.02 8.56 0.0 0.0 0
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42258 8149364 1 OS2N4H16C18 AB2C4D16E18 58.81 1.34 -8.86 -1.29 1
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42259 8149365 1 SN3O3C21H30 AB3C3D21E30 -122.4 8.44 0.0 0.0 0
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42260 8149366 1 SN3O3C21H29 AB3C3D21E29 -139.03 3.86 -8.6 -0.84 0
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42261 8149368 1 N3O4C19H27 A3B4C19D27 -157.62 3.93 -9.4 -0.52 1
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42262 8149369 1 SN3O3C21H30 AB3C3D21E30 -122.5 8.0 0.0 0.0 0
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42263 8149370 1 SN3O3C21H29 AB3C3D21E29 -136.11 2.55 -8.54 -0.78 0
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42264 8149372 1 SN3O3C21H29 AB3C3D21E29 -138.07 4.03 -8.55 -0.78 1
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42265 8149373 1 N3O4C19H28 A3B4C19D28 -150.28 13.69 0.0 0.0 0
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42266 8149374 1 N3O4C19H27 A3B4C19D27 -160.59 4.2 -9.46 -0.63 1
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42267 8149375 1 SN3O3C21H30 AB3C3D21E30 -121.3 8.01 0.0 0.0 0
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42268 8149376 1 SN3O3C21H29 AB3C3D21E29 -134.89 2.93 -8.52 -0.76 1
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42269 8149377 1 SN3O5C20H28 AB3C5D20E28 -207.59 18.8 0.0 0.0 0
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42270 8149378 1 SN3O5C20H27 AB3C5D20E27 -215.3 5.76 -8.91 -1.18 1
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42271 8149379 1 N2O3C19H21 A2B3C19D21 -45.71 3.0 0.0 0.0 1
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42272 8149380 1 SN3O5C20H28 AB3C5D20E28 -206.79 19.02 0.0 0.0 0
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42273 8149381 1 SN3O5C20H27 AB3C5D20E27 -218.41 4.81 -9.01 -1.28 0
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42274 8149383 1 S2N3O3C20H23 A2B3C3D20E23 -83.67 2.91 -8.49 -1.08 1
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42275 8149384 1 S2N3O3C20H24 A2B3C3D20E24 -67.32 16.57 0.0 0.0 0
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42276 8149385 1 S2N3O3C20H23 A2B3C3D20E23 -79.49 4.23 -8.64 -0.98 1
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42277 8149386 1 NO2C23H32 AB2C23D32 -42.64 1.79 0.0 0.0 0
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42278 8149387 1 NO2C23H31 AB2C23D31 -68.87 2.88 -8.8 0.22 1
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42279 8149388 1 SN3O3C21H32 AB3C3D21E32 -129.22 8.43 0.0 0.0 0
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42280 8149389 1 SN3O3C21H31 AB3C3D21E31 -145.31 4.01 -8.64 -0.81 1
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42281 8149390 1 SN3O3C21H32 AB3C3D21E32 -128.67 5.96 0.0 0.0 0
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42282 8149391 1 SN3O3C21H31 AB3C3D21E31 -145.18 3.85 -8.66 -0.84 1
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42283 8149392 1 OSN3C14H20 ABC3D14E20 -17.96 6.41 0.0 0.0 0
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42284 8149393 1 OSN3C14H19 ABC3D14E19 -32.92 2.67 -8.59 -0.85 1
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42285 8149394 1 NO2C23H32 AB2C23D32 -42.17 2.73 0.0 0.0 0
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42286 8149395 1 NO2C23H31 AB2C23D31 -68.64 2.87 -8.8 0.18 1
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42287 8149396 1 OSN3C14H20 ABC3D14E20 -16.77 6.42 0.0 0.0 0
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42288 8149397 1 OSN3C14H19 ABC3D14E19 -31.75 2.74 -8.58 -0.84 1
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42289 8149398 1 OSN3C14H20 ABC3D14E20 -14.63 4.29 0.0 0.0 0
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42290 8149399 1 OSN3C14H19 ABC3D14E19 -34.88 2.92 -8.53 -0.76 0
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42291 8149401 1 OSN3C14H19 ABC3D14E19 -33.61 2.93 -8.53 -0.76 1
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42292 8149402 1 NO2C23H32 AB2C23D32 -44.17 0.8 0.0 0.0 0
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42293 8149403 1 NO2C23H31 AB2C23D31 -69.15 2.96 -8.49 0.13 0
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42294 8149405 1 OS2N3C13H13 AB2C3D13E13 21.79 4.48 -8.6 -0.97 1
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42295 8149406 1 OS2N3C13H14 AB2C3D13E14 38.12 8.44 0.0 0.0 0
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42296 8149407 1 OS2N3C13H13 AB2C3D13E13 22.65 3.99 -8.66 -1.04 1
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42297 8149408 1 NO2C23H32 AB2C23D32 -44.28 1.91 0.0 0.0 0
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42298 8149409 1 NO2C23H31 AB2C23D31 -68.89 2.63 -8.46 0.12 1
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42299 8149410 1 OSN3C15H22 ABC3D15E22 -25.73 6.61 0.0 0.0 0
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42300 8149411 1 OSN3C15H21 ABC3D15E21 -39.27 2.78 -8.57 -0.81 1
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42301 8149412 1 OSN3C15H22 ABC3D15E22 -25.73 6.67 0.0 0.0 0
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42302 8149413 1 OSN3C15H21 ABC3D15E21 -41.03 2.93 -8.52 -0.74 1
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42303 8149414 1 OSN3C15H22 ABC3D15E22 -24.52 6.76 0.0 0.0 0