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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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395349 135025227 1 O3C21H28 A3B21C28 -102.08 3.79 -9.32 0.31 0
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395350 135025228 1 O3C24H32 A3B24C32 -91.53 1.6 -9.28 0.2 0
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395351 135025235 1 FNSO3H22C23 ABCD3E22F23 -112.38 3.39 -8.79 -0.75 0
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395352 135025244 2 OH20C21 AB20C21 93.04 3.23 -8.45 -0.39 0
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395353 135025249 2 OC5H7 AB5C7 -32.15 5.75 -10.42 -0.15 0
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395354 135025253 1 NO2C15H15 AB2C15D15 -25.15 2.17 -9.25 -0.45 0
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395355 135025259 1 O2H20C21 A2B20C21 23.77 3.03 -8.21 -0.18 0
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395356 135025262 1 OC13H20 AB13C20 -38.58 2.36 -8.92 1.14 0
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395357 135025264 1 N2O3C17H20 A2B3C17D20 -70.15 7.98 -8.61 -0.18 0
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395358 135025266 1 N2O3H20C21 A2B3C20D21 -12.86 7.37 -8.6 -0.93 0
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395359 135025267 2 OC6H11 AB6C11 -127.87 0.7 -9.78 2.28 0
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395360 135025268 1 BrOC10H15 ABC10D15 -54.08 4.22 -9.73 -0.1 0
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395361 135025269 1 NO7C35H37 AB7C35D37 -199.62 2.21 -9.23 -0.17 0
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395362 135025270 1 BrNOC22H22 ABCD22E22 10.87 1.95 -8.46 -0.44 0
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395363 135025271 1 NOBr2H19C21 ABC2D19E21 18.97 3.53 -8.61 -0.72 0
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395364 135025272 1 NOBr2H21C22 ABC2D21E22 10.98 3.48 -8.58 -0.69 0
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395365 135025273 1 FNBr2O2H18C21 ABC2D2E18F21 -64.6 1.54 -8.81 -0.91 0
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395366 135025283 1 O6C25H34 A6B25C34 -260.53 7.31 -9.63 -1.01 0
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395367 135025285 1 SiO6C16H30 AB6C16D30 -319.79 1.2 -8.85 0.02 0
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395368 135025287 1 NSiO3C21H37 ABC3D21E37 -173.19 4.98 -9.1 0.82 0
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395369 135025288 1 NSiO3C21H37 ABC3D21E37 -185.81 3.88 -9.09 0.74 -1
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395370 135025289 1 MnF2H3C6 AB2C3D6 37.82 5.49 -8.31 -1.56 0
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395371 135025301 1 O3N4H26C31 A3B4C26D31 71.53 6.91 -9.26 -0.63 0
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395372 135025302 1 NOC23H29 ABC23D29 -4.93 5.46 -9.21 -0.44 0
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395373 135025304 1 NO3C16H17 AB3C16D17 -93.27 3.91 -9.6 -1.13 0
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395374 135025306 1 NSO2H17C24 ABC2D17E24 10.39 2.82 -8.55 -0.89 0
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395375 135025313 1 ON2C18H22 AB2C18D22 7.74 4.7 -8.56 0.19 0
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395376 135025315 2 NOC16H17 ABC16D17 -10.33 2.86 -9.14 -0.12 0
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395377 135025324 1 PO6C17H27 AB6C17D27 -299.96 2.14 -9.12 0.14 0
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395379 135025334 1 NOC28H35 ABC28D35 32.11 2.94 -8.51 0.11 0
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395380 135025335 1 NOC27H41 ABC27D41 -30.33 2.91 -8.68 0.45 0
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395381 135025338 1 PO5H25C26 AB5C25D26 -157.5 7.4 -9.28 -0.53 0
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395382 135025340 1 BrClNO2H11C15 ABCD2E11F15 -27.3 2.47 -9.18 -1.09 0
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395383 135025341 1 O4C17H22 A4B17C22 -138.04 7.77 -8.9 -0.55 0
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395384 135025342 1 O4C17H20 A4B17C20 -121.91 4.53 -8.73 -0.5 0
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395385 135025344 1 N2O4H16C19 A2B4C16D19 -69.23 3.13 -8.98 -0.59 0
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395386 135025345 1 SN3H7C11 AB3C7D11 115.99 2.3 -9.21 -1.55 1
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395387 135025346 1 N2O2Si2C41H71 A2B2C2D41E71 -211.82 2.8 0.0 0.0 0
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395388 135025348 1 O2C19H24 A2B19C24 -68.63 0.81 -9.74 -0.75 0
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395389 135025350 1 O2H12C13 A2B12C13 -44.95 2.66 -8.87 -0.65 0
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395390 135025351 1 O2C9H18 A2B9C18 -111.86 1.1 -9.93 0.98 1
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395391 135025359 1 O2C21H21 A2B21C21 18.93 3.58 0.0 0.0 0
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395392 135025360 1 O2C21H22 A2B21C22 10.13 3.2 -8.39 -0.26 0
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395393 135025361 1 O2H20C21 A2B20C21 23.39 2.83 -8.25 -0.2 0
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395394 135025362 1 ClN3O3H12C16 AB3C3D12E16 17.71 2.02 -9.48 -1.37 0
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395395 135025364 1 O5H24C28 A5B24C28 -94.34 4.49 -8.73 -0.5 0
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395396 135025366 1 O5H18C20 A5B18C20 -168.93 3.91 -8.84 -1.01 0
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395397 135025367 1 NO6C35H35 AB6C35D35 -113.75 4.56 -9.4 -0.19 0
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395398 135025368 1 Si2O3C20H46 A2B3C20D46 -310.13 2.71 -8.74 1.26 0
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395399 135025370 1 BrNO2C24H24 ABC2D24E24 16.81 2.23 -9.58 -0.45 0