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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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403263 135059443 1 BrClN2O4H10C13 ABC2D4E10F13 -11.25 3.93 -9.73 -1.68 0
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403264 135059445 1 ClIO6C34H46 ABC6D34E46 -302.39 4.83 -9.75 -1.2 0
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403265 135059448 1 BrO3N4H17C21 AB3C4D17E21 70.14 9.2 -8.89 -1.4 0
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403266 135059450 1 OH10C14 AB10C14 46.28 2.44 -8.88 -0.8 0
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403267 135059453 1 NO5C13H19 AB5C13D19 -211.79 2.75 -8.75 -0.62 -2
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403268 135059455 1 NPO9C14H18 ABC9D14E18 -407.76 2.28 -9.59 -0.65 0
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403269 135059458 1 NO3C12H23 AB3C12D23 -179.79 1.87 -10.0 0.67 -1
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403270 135059461 1 N2O17C25H33 A2B17C25D33 -618.87 8.85 0.0 0.0 -1
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403271 135059463 1 N2O18C26H35 A2B18C26D35 -688.56 9.65 0.0 0.0 0
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403272 135059476 1 OSiC19H24 ABC19D24 -56.89 1.54 -9.22 0.09 0
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403273 135059485 1 NSiO3C28H31 ABC3D28E31 -87.65 1.94 -9.07 -0.14 0
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403274 135059487 1 OSiC26H32 ABC26D32 -10.3 0.92 -8.75 -0.17 0
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403275 135059491 1 N2O3S3H6C15F18 A2B3C3D6E15F18 -1007.61 7.39 -9.69 -1.62 0
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403276 135059500 1 O2H16C17 A2B16C17 -26.33 1.93 -8.36 -0.45 0
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403277 135059510 1 SO7H10C12 AB7C10D12 -224.48 4.88 -9.28 -1.13 0
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403278 135059512 1 O2C11H12 A2B11C12 -45.06 3.71 -10.12 -0.76 0
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403279 135059540 1 NO5C16H17 AB5C16D17 -148.01 1.65 -9.04 -1.25 0
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403280 135059541 1 SO3H12C15 AB3C12D15 -48.29 7.38 -8.67 -1.09 0
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403281 135059542 1 OH12C14 AB12C14 0.8 0.97 -8.5 -0.39 0
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403282 135059543 1 SO3C16H16 AB3C16D16 -91.88 6.09 -9.14 -1.0 0
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403283 135059544 1 SO5H12C14 AB5C12D14 -153.59 6.19 -9.04 -0.81 0
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403284 135059545 1 SO3H12C14 AB3C12D14 -85.54 6.58 -9.2 -0.95 0
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403285 135059557 1 BrON4H23C25 ABC4D23E25 93.15 7.11 -8.88 -0.63 0
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403286 135059558 1 BrO2H27C29 AB2C27D29 -3.92 1.07 -8.83 -0.47 0
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403287 135059562 2 NH8C9 AB8C9 94.48 4.5 -8.89 -0.41 0
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403288 135059583 1 O5C14H16 A5B14C16 -201.55 5.11 -9.34 -1.04 0
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403289 135059584 1 BrNO3C14H16 ABC3D14E16 -80.57 1.95 -9.83 -1.28 0
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403290 135059585 1 N2O5C14H16 A2B5C14D16 -87.07 5.35 -10.63 -1.76 0
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403291 135059586 2 OC11H11 AB11C11 -38.54 2.24 -8.81 -0.71 0
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403292 135059589 1 O3C16H20 A3B16C20 -123.25 1.92 -8.86 0.04 0
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403293 135059591 1 BBrNO3C14H19 ABCD3E14F19 -209.86 3.92 -9.16 -0.46 -1
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403294 135059592 1 BBrNO3C14H18 ABCD3E14F18 -172.51 0.82 0.0 0.0 0
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403295 135059597 1 N2O4H24C25 A2B4C24D25 -86.42 1.74 -8.14 -1.43 0
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403296 135059598 1 SiN3O6C23H31 AB3C6D23E31 -193.43 7.41 -9.02 -1.31 0
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403297 135059603 1 NOH23C25 ABC23D25 33.7 2.96 -8.39 -0.26 0
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403298 135059604 1 BrNCl2H8C15 ABC2D8E15 61.55 2.67 -9.41 -1.3 0
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403299 135059614 1 BrO2F3N6H20C23 AB2C3D6E20F23 -85.4 2.56 -9.41 -1.86 0
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403300 135059615 1 F3O3N7H20C24 A3B3C7D20E24 -58.74 4.7 -9.32 -1.71 0
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403301 135059616 1 NPO5C10H20 ABC5D10E20 -255.54 3.5 -10.07 0.26 0
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403302 135059617 1 ISC10H11 ABC10D11 21.3 2.12 -8.46 -0.97 0
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403303 135059619 1 ISN2O2H15C17 ABC2D2E15F17 3.72 4.9 -9.02 -1.15 0
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403304 135059621 1 BrOSN3H14C16 ABCD3E14F16 71.72 8.53 -9.22 -0.83 0
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403305 135059625 1 O7H24C28 A7B24C28 -202.46 1.99 -8.84 -0.44 0
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403306 135059658 1 NO6H21C23 AB6C21D23 -87.21 8.24 -9.14 -1.33 0
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403307 135059660 2 FOC7H8 ABC7D8 -159.49 2.38 -9.63 -0.55 0
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403308 135059666 1 NPSC13H20 ABCD13E20 -41.5 6.09 -8.63 -0.27 0
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403309 135059668 1 OPC12H21 ABC12D21 -96.35 4.85 -9.33 0.9 0
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403310 135059674 1 OPS3C26H27 ABC3D26E27 -6.38 5.98 -8.65 -0.8 0
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403311 135059692 1 Si2O7C28H46 A2B7C28D46 -496.24 1.9 -8.26 0.0 0
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403312 135059693 1 NO2C24H33 AB2C24D33 -85.49 1.45 -9.26 -0.24 0