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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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5487 13218 1 INSO2C6H6 ABCD2E6F6 -32.52 3.58 -9.95 -1.33 0
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5488 13219 1 H2N2C4O5 A2B2C4D5 5.71 3.81 -11.5 -2.54 0
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5489 13220 1 NOC9H17 ABC9D17 -76.02 3.29 -9.19 0.78 0
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5490 13223 1 O3H8C9 A3B8C9 -85.94 5.58 -10.67 -0.38 0
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5491 13224 1 NOH9C10 ABC9D10 -0.02 1.73 -8.71 -0.58 0
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5492 13225 3 NOC2H3 ABC2D3 -129.08 0.02 -10.76 -0.8 0
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5493 13226 1 NaSO3C8H9 ABC3D8E9 -158.43 5.8 -8.89 0.22 0
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5494 13227 2 NC5H6 AB5C6 57.81 4.51 -9.32 -0.05 0
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5495 13228 1 BrNC10H14 ABC10D14 13.86 2.1 -8.3 -0.2 0
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5496 13234 1 O2C11H14 A2B11C14 -79.8 4.85 -9.86 -0.18 0
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5497 13236 1 N2H3F5C6 A2B3C5D6 -174.05 1.67 -9.46 -1.27 0
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5498 13238 1 ON2C10H12 AB2C10D12 4.19 1.67 -8.69 -0.01 0
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5499 13239 1 PC12H23 AB12C23 -47.79 1.59 -8.54 3.24 0
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5500 13240 1 ClON3C9H14 ABC3D9E14 -3.34 4.29 -9.7 -0.11 0
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5501 13241 1 ON3C9H13 AB3C9D13 34.44 3.15 -9.5 -0.04 0
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5502 13243 1 NO4H7C8 AB4C7D8 -70.29 7.33 -10.23 -1.4 0
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5503 13244 1 N2H4O5C6 A2B4C5D6 7.02 4.67 -10.74 -2.51 0
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5504 13245 1 O3C10H10 A3B10C10 -88.23 6.84 -9.18 -0.88 0
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5505 13246 1 OC12H22 AB12C22 -73.88 3.16 -9.86 0.78 0
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5506 13247 2 OH5C6 AB5C6 -47.11 2.36 -8.76 -0.51 0
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5507 13248 1 OSN2C10H16 ABC2D10E16 -19.56 1.86 -9.51 -0.59 0
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5508 13253 1 ClH11C13 AB11C13 31.31 2.16 -9.28 -0.05 0
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5509 13255 1 SH12C13 AB12C13 47.25 1.66 -8.6 -0.25 0
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5510 13257 3 H4C5 A4B5 45.83 0.79 -8.59 -0.43 0
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5511 13258 3 H4C5 A4B5 44.25 0.85 -8.58 -0.42 0
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5512 13259 1 BrN2C12H15 AB2C12D15 19.46 3.09 -8.58 -0.28 0
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5513 13260 1 ClN2C12H15 AB2C12D15 7.76 3.12 -8.53 -0.28 0
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5514 13261 1 NO4C10H11 AB4C10D11 -83.14 3.47 -10.31 -1.32 0
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5515 13262 1 NO3H9C11 AB3C9D11 -89.77 6.74 -8.94 -1.21 0
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5516 13263 1 SN5C9H17 AB5C9D17 21.05 2.6 -8.72 0.08 0
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5517 13264 1 OC14H14 AB14C14 1.57 1.57 -8.63 0.27 0
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5518 13268 1 ClFO2N3C9H13 ABC2D3E9F13 -146.92 2.97 -9.52 -0.74 0
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5519 13270 1 SN5C10H19 AB5C10D19 17.46 3.86 -8.68 0.1 0
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5520 13271 2 NOH5C6 ABC5D6 40.8 8.18 -8.99 -1.1 0
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5521 13272 1 N2O5H6C9 A2B5C6D9 -33.96 3.31 -10.6 -2.25 0
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5522 13273 1 N3H5O5C8 A3B5C5D8 -30.92 2.77 -9.92 -2.14 0
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5523 13274 2 N2O2C5H8 A2B2C5D8 -23.94 2.6 -8.85 -1.02 0
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5524 13275 1 ON3C10H15 AB3C10D15 17.42 0.86 -8.67 0.4 0
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5525 13276 1 N2O3C12H18 A2B3C12D18 -157.87 1.77 -10.6 -0.54 0
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5526 13277 1 N3C14H14 A3B14C14 54.63 1.14 0.0 0.0 1
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5527 13278 1 NO2H9C14 AB2C9D14 -3.28 6.52 -9.44 -1.41 0
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5528 13280 1 ClSN2O3C10H13 ABC2D3E10F13 -108.06 4.58 -9.9 -1.08 0
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5529 13281 1 NO5C11H11 AB5C11D11 -111.25 5.83 -10.78 -1.83 0
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5530 13282 1 PO4H11C12 AB4C11D12 -179.25 2.61 -9.59 -0.12 0
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5531 13283 1 N2C15H18 A2B15C18 21.48 2.45 -8.07 0.5 0
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5532 13285 1 N2O3C13H20 A2B3C13D20 -164.74 1.91 -10.56 -0.49 0
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5533 13292 1 ON3C14H23 AB3C14D23 2.6 3.06 -8.78 -0.03 0
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5534 13293 1 NOH15C16 ABC15D16 8.12 3.75 -8.47 -0.39 0
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5535 13295 1 NO3H11C15 AB3C11D15 -49.74 4.04 -9.36 -1.15 0
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5536 13296 1 NS2O4C12H13 AB2C4D12E13 -117.99 2.97 -9.8 -1.67 0