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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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222240 85295528 1 OC18H24 AB18C24 -51.03 3.1 -9.41 0.26 0
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222241 85295534 1 NO5C12H19 AB5C12D19 -199.85 5.17 -9.9 1.11 0
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222243 85295562 1 BNSO2F4C7H12 ABCD2E4F7G12 -419.25 11.92 -10.24 -1.83 0
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222244 85295569 1 NO2C16H23 AB2C16D23 -83.69 3.61 -9.31 0.2 0
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222245 85295598 1 NSC16H25 ABC16D25 -8.3 1.35 -8.54 0.11 0
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222247 85295667 1 FeN2C14H18 AB2C14D18 226.64 14.12 -6.12 -1.71 0
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222248 85295668 1 N2C9H13 A2B9C13 71.6 4.27 0.0 0.0 1
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222249 85295672 1 O3N4C13H13 A3B4C13D13 -34.94 6.51 0.0 0.0 0
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222250 85295674 1 N2O5C12H18 A2B5C12D18 -197.56 5.08 -9.73 -0.51 0
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222251 85295676 1 O3C17H18 A3B17C18 -77.76 3.57 -9.22 0.11 0
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222252 85295678 2 NOC8H9 ABC8D9 -36.51 1.54 -8.34 -0.52 0
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222253 85295679 1 SO4C13H18 AB4C13D18 -170.57 9.54 -10.51 -0.94 0
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222254 85295680 2 OC9H11 AB9C11 -61.14 3.17 -9.3 -0.58 0
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222255 85295692 1 NO3C16H17 AB3C16D17 -92.97 6.3 -8.8 -0.52 0
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222256 85295693 1 NO2C17H21 AB2C17D21 -43.56 2.46 -8.78 0.25 0
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222257 85295704 1 SiO4C13H24 AB4C13D24 -252.06 2.1 -9.86 0.05 0
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222259 85295753 1 ClSiO2C13H25 ABC2D13E25 -186.77 3.93 -9.0 0.33 0
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222260 85295761 1 O5C15H18 A5B15C18 -159.23 2.16 -9.86 0.55 0
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222261 85295768 1 SN2H14C17 AB2C14D17 71.99 3.8 -8.25 -0.16 0
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222262 85295807 2 O3C7H9 A3B7C9 -234.13 1.28 -9.5 0.23 0
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222263 85295830 1 NSiO4C13H21 ABC4D13E21 -205.11 2.14 -9.62 -0.36 0
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222264 85295831 1 NSO2C15H25 ABC2D15E25 -74.05 2.56 -8.39 0.22 0
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222265 85295834 1 ClNO4C13H14 ABC4D13E14 -163.88 4.77 -9.78 -0.65 0
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222266 85295836 1 IO3C8H13 AB3C8D13 -117.99 3.19 -10.13 -1.43 0
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222268 85295843 1 O3C18H20 A3B18C20 -51.17 4.38 -8.9 -1.09 0
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222269 85295847 4 OC4H7 AB4C7 -215.78 4.88 -9.83 0.29 0
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222270 85295893 1 OC20H32 AB20C32 -70.7 1.49 -9.5 1.36 0
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222272 85295938 1 ClN4H9C13 AB4C9D13 110.48 3.28 -9.15 -1.24 0
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222273 85295949 3 O2C5H6 A2B5C6 -229.74 6.53 -10.2 -0.95 0
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222274 85295952 1 O5C16H22 A5B16C22 -238.52 2.42 -9.89 -0.22 0
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222275 85295962 1 PS4C10H15 AB4C10D15 -81.18 7.78 -9.19 -0.83 0
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222276 85296013 2 NOC9H11 ABC9D11 -54.33 3.54 -8.11 0.23 0
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222277 85296059 2 O2C9H11 A2B9C11 -141.45 1.37 -9.25 -0.4 0
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222278 85296099 1 NO3C18H27 AB3C18D27 -128.24 2.94 -9.2 0.43 0
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222279 85296112 1 SiO5C14H30 AB5C14D30 -284.3 3.16 -8.93 0.43 0
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222280 85296145 1 NO3C19H19 AB3C19D19 -31.11 5.57 -9.67 -0.82 0
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222281 85296161 1 ON2C20H26 AB2C20D26 -12.31 3.16 -8.46 -0.05 0
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222282 85296169 1 NO4H17C18 AB4C17D18 -40.84 3.91 -9.57 -1.43 0
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222283 85296179 1 O2N4C17H20 A2B4C17D20 55.6 4.77 -9.24 -0.29 0
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222284 85296180 1 O5C17H28 A5B17C28 -265.42 4.97 -10.59 0.66 0
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222285 85296201 1 O4C19H22 A4B19C22 -149.11 2.21 -9.57 -0.19 0
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222286 85296252 1 O3C20H26 A3B20C26 -100.07 1.98 -9.27 0.23 0
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222287 85296287 1 FeO6C13H14 AB6C13D14 -31.94 3.91 -6.2 -0.61 0
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222288 85296295 1 O5C18H26 A5B18C26 -179.51 2.33 -9.35 0.1 0
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222289 85296303 1 ON2C21H26 AB2C21D26 16.19 3.3 -9.02 -0.27 0
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222290 85296304 1 O3C20H34 A3B20C34 -187.35 3.25 -9.6 0.25 0
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222291 85296310 1 SCl2O4C12H12 AB2C4D12E12 -162.52 3.43 -9.25 -0.7 0
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222292 85296335 1 NOH19C23 ABC19D23 43.79 3.56 -8.5 -0.73 0
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222293 85296338 1 ClNOC20H20 ABCD20E20 -5.74 1.64 -8.37 0.02 0
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222294 85296351 1 BrO4C14H15 AB4C14D15 -143.53 2.93 -10.06 -1.04 0