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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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9245 87441 4 OC3H4 AB3C4 -151.68 1.64 -8.36 0.12 0
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9246 87443 2 NC5H10 AB5C10 -2.66 2.55 -9.24 1.14 0
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9247 87444 1 NO2H15C16 AB2C15D16 -32.8 6.2 -8.18 -0.54 0
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9248 87457 2 SiO2C6H13 AB2C6D13 -316.08 1.83 -10.07 0.56 0
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9249 87460 1 Cl2O2H6C7 A2B2C6D7 -74.31 1.08 -8.7 -0.69 0
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9250 87461 1 ClNSO6H12C20 ABCD6E12F20 -144.97 6.92 -8.9 -2.04 0
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9251 87478 1 ClNSiC6H12 ABCD6E12 -55.22 1.84 -10.15 0.32 0
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9252 87483 1 SiCl2O2C5H10 AB2C2D5E10 -193.76 2.08 -10.4 -0.2 0
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9253 87495 1 SiO2C6H16 AB2C6D16 -150.86 1.77 -9.73 1.33 0
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9254 87503 1 NO2C24H47 AB2C24D47 -173.24 3.74 -9.48 1.02 0
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9255 87504 1 NPO8C36H72 ABC8D36E72 -532.88 12.25 -9.98 -0.25 0
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9256 87515 2 NO2C5H7 AB2C5D7 -78.85 5.62 -9.1 -1.05 0
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9257 87517 1 ClNPO5H13C17 ABCD5E13F17 -222.19 4.68 -8.91 -1.25 0
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9258 87527 1 N2S2O6H26C27 A2B2C6D26E27 -95.61 25.94 -8.84 -2.42 0
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9259 87536 1 NO2C5H11 AB2C5D11 -106.91 5.5 -9.94 0.88 0
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9260 87547 1 PbC10H22 AB10C22 -7.34 1.5 -8.18 -1.71 0
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9261 87563 1 PC18H31 AB18C31 -41.24 1.48 -8.28 0.42 0
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9262 87565 1 O2C25H48 A2B25C48 -150.23 2.29 -10.37 -0.16 0
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9263 87566 1 O2P2S5C8H20 A2B2C5D8E20 -226.8 1.27 -8.98 -0.6 0
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9264 87573 1 SSi2O4C6H18 AB2C4D6E18 -300.45 3.9 -10.09 -0.42 0
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9265 87578 1 C7O8H14 A7B8C14 -366.35 2.45 -10.62 0.02 0
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9266 87597 1 O2C9H16 A2B9C16 -110.93 0.71 -10.11 0.21 0
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9267 87612 1 NO6C20H41 AB6C20D41 -346.95 2.66 -10.25 0.49 0
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9268 87616 1 NO2C8H15 AB2C8D15 -85.56 4.33 -10.4 1.25 0
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9269 87618 1 SiCl3C7H13 AB3C7D13 -148.58 2.09 -10.41 -0.58 0
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9270 87620 1 SiO2C8H18 AB2C8D18 -168.06 3.58 -8.65 1.18 0
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9271 87645 1 NC12H13 AB12C13 22.06 1.9 -8.73 -0.34 0
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9272 87663 1 ON3C22H27 AB3C22D27 30.57 2.59 -8.4 -0.52 0
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9273 87668 1 ClO2N4C20H23 AB2C4D20E23 -21.63 4.74 -8.75 -1.58 0
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9275 87670 2 ON2C10H12 AB2C10D12 -8.42 3.64 -8.77 -1.35 0
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9276 87677 1 O2C11H22 A2B11C22 -114.06 0.3 -9.52 1.38 0
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9277 87682 1 NO2C9H21 AB2C9D21 -120.4 1.31 -8.94 1.9 0
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9278 87685 1 O2C17H24 A2B17C24 -80.76 1.91 -9.3 0.0 0
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9279 87693 1 NO2C8H15 AB2C8D15 -77.14 1.96 -8.83 -0.21 0
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9280 87695 1 O4C15H16 A4B15C16 -133.7 5.65 -8.91 -1.02 0
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9281 87702 1 O3Si4C16H42 A3B4C16D42 -392.16 1.2 -9.49 1.15 0
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9282 87705 1 OPH24C26 ABC24D26 61.2 6.5 0.0 0.0 1
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9283 87717 1 PCl2O2S2C11H15 AB2C2D2E11F15 -153.0 3.24 -9.13 -0.76 0
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9284 87734 2 NOH5C8 ABC5D8 85.0 0.8 -8.23 -1.7 0
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9285 87737 1 BrNO3H6C8 ABC3D6E8 -18.53 6.71 -10.57 -1.63 0
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9286 87739 1 N2O6C37H44 A2B6C37D44 -138.16 11.98 -8.84 -1.24 0
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9287 87762 1 OSC5H12 ABC5D12 -64.17 0.83 -8.59 0.76 0
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9288 87764 1 OPS3C12H15 ABC3D12E15 -79.93 4.84 -8.5 -0.58 0
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9289 87765 2 OC7H9 AB7C9 -87.61 2.47 -9.1 0.18 0
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9290 87766 2 OC7H9 AB7C9 -90.42 2.23 -9.1 0.19 0
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9291 87767 1 NOC14H23 ABC14D23 -61.29 2.94 -8.62 0.11 0
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9292 87771 1 SiCl3C20H41 AB3C20D41 -217.72 1.94 -10.57 -0.62 0
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9293 87773 2 OC8H8 AB8C8 -13.34 1.09 -8.84 -0.02 0
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9294 87777 1 SiO2C21H44 AB2C21D44 -230.95 3.13 -9.99 0.69 0
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9295 87781 1 SiO8C24H52 AB8C24D52 -509.8 3.67 -9.55 0.18 0
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9296 87784 1 ON3H7C8 AB3C7D8 33.92 1.07 -9.71 -1.09 0
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9297 87789 1 OC16H32 AB16C32 -113.32 3.51 -9.9 0.73 0
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9298 87798 1 SC8H10 AB8C10 6.92 2.47 -8.68 0.05 0
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9299 87799 1 SC8H10 AB8C10 5.89 2.62 -8.46 0.17 0
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9300 87802 1 C5H7N7 A5B7C7 73.8 5.4 -8.58 -0.37 0
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9301 87814 2 KBr2O2C4 AB2C2D4 -234.65 4.54 -9.39 -0.88 0
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9302 87824 1 SiN3O3C36H79 AB3C3D36E79 -328.71 2.94 -8.61 0.9 0
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9303 87825 1 N3O3H19C24 A3B3C19D24 11.95 5.95 -8.65 -1.49 0
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9304 87829 2 OH5C6 AB5C6 -43.66 1.99 -8.9 -0.22 0
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9305 87831 1 SiO4C38H76 AB4C38D76 -409.01 4.43 -10.03 0.41 0
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9306 87834 1 PC2H2O2Cl5 AB2C2D2E5 -184.92 0.79 -11.39 -1.28 0
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9307 87838 1 NO3S3C6H13 AB3C3D6E13 -119.51 4.98 -8.37 -0.41 0
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9308 87844 2 C8H9 A8B9 25.93 0.89 -9.11 0.38 0
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9309 87846 1 N2O2C13H15 A2B2C13D15 -39.01 2.44 0.0 0.0 1
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9310 87852 1 PN2C4O4H17 AB2C4D4E17 -274.9 2.38 -9.97 0.45 0
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9311 87865 1 SN2C13H22 AB2C13D22 -4.54 3.46 -8.35 -0.09 0
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9312 87884 2 NOC2H3 ABC2D3 11.36 4.54 -11.32 -0.93 0
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9313 87885 1 ClO2C6H11 AB2C6D11 -119.84 2.9 -10.84 0.16 0
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9314 87898 1 N3H5O5C8 A3B5C5D8 14.32 4.04 -10.91 -2.26 0
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9315 87901 1 NO6C8H13 AB6C8D13 -268.27 3.81 -10.72 -0.34 0
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9316 87902 1 SbC4H8Cl11 AB4C8D11 13.5 1.84 -9.08 -2.73 -6
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9317 87904 2 BrNOH13C14 ABCD13E14 12.06 11.66 -8.05 -1.62 0
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9319 87906 1 C7H12 A7B12 -8.91 0.61 -9.38 1.5 0
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9320 87910 1 ClSO2C8H9 ABC2D8E9 -81.88 6.74 -9.91 -1.05 0
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9321 87921 1 OF2H6C7 AB2C6D7 -117.71 3.0 -10.24 -0.64 0