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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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2222 6317 1 N2O3C11H16 A2B3C11D16 -43.16 7.64 -9.56 -1.3 0
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2223 6323 1 BrCH3 ABC3 -5.65 1.58 -10.61 -0.07 0
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2224 6325 2 CH2 AB2 15.71 0.0 -10.68 1.16 0
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2225 6343 1 SC2H6 AB2C6 -10.79 2.0 -8.93 0.57 0
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2226 6349 1 BrCMgH3 ABCD3 -33.02 2.62 -9.75 -0.22 0
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2227 6353 2 C A 183.61 0.0 -12.04 -1.98 -2
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2228 6356 1 BF3 AB3 -269.9 0.01 -15.26 0.76 0
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2229 6361 1 ClC3H7 AB3C7 -34.06 2.65 -10.57 0.98 0
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2230 6362 1 IC3H7 AB3C7 -6.68 2.58 -9.57 -0.62 0
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2231 6364 1 SC3H8 AB3C8 -19.74 2.26 -8.91 0.62 0
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2232 6368 2 CFH2 ABC2 -117.06 2.43 -12.96 2.63 0
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2233 6374 1 CHI3 ABC3 54.28 0.7 -9.64 -1.91 0
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2234 6375 1 CNO2H3 ABC2D3 -16.31 3.97 -11.42 -0.54 0
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2235 6376 1 CSiCl2H4 ABC2D4 -91.22 2.02 -10.8 -0.27 0
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2236 6380 1 NC4H12 AB4C12 19.68 0.01 0.0 0.0 1
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2237 6381 1 INC4H12 ABC4D12 -0.84 13.24 -7.31 -0.18 0
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2238 6382 1 CBr2F2 AB2C2 -84.34 0.62 -11.11 -2.38 0
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2239 6383 1 BrCCl3 ABC3 -3.54 0.21 -11.33 -1.94 0
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2240 6385 1 NC4H11 AB4C11 -26.07 1.76 -9.29 3.62 0
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2241 6392 1 CClF3 ABC3 -171.65 0.54 -12.33 -1.16 0
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2242 6394 1 PbC4H12 AB4C12 32.52 0.01 -9.54 0.9 0
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2243 6403 2 C3H7 A3B7 -38.0 0.04 -10.93 4.21 0
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2244 6406 1 NOC4H7 ABC4D7 -30.74 4.94 -11.25 0.9 0
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2245 6410 2 OC2H5 AB2C5 -47.36 2.07 -9.73 0.53 0
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2246 6417 1 O2C5H10 A2B5C10 -110.41 4.96 -10.64 0.72 0
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2247 6424 1 OBr3C4H7 AB3C4D7 -52.12 3.52 -10.4 -1.32 0
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2248 6427 2 CFCl2 ABC2 -131.72 0.0 -11.49 -1.34 0
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2249 6435 2 N2H3C4O4 A2B3C4D4 -312.52 0.75 -11.38 -1.66 0
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2250 6438 1 BrOC10H15 ABC10D15 -54.14 4.21 -9.79 -0.43 0
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2251 6441 1 OC3F4H4 AB3C4D4 -253.63 1.52 -11.2 1.23 0
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2252 6442 1 NO3C4H9 AB3C4D9 -75.03 3.87 -10.83 -0.66 0
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2253 6443 1 O2Cl3C4H7 A2B3C4D7 -137.41 2.71 -10.87 -0.29 0
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2254 6448 2 OC6H10 AB6C10 -119.22 2.42 -10.34 0.94 0
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2255 6453 1 NO2C20H23 AB2C20D23 -35.8 4.72 -8.72 -0.34 0
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2256 6456 1 ClH15C19 AB15C19 64.03 2.15 -9.48 -0.27 0
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2257 6459 1 OSnC18H18 ABC18D18 49.41 2.38 -9.42 0.27 0
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2258 6461 1 BrNO3C21H26 ABC3D21E26 -90.62 12.73 -7.96 -0.62 0
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2259 6464 1 N2O3C10H14 A2B3C10D14 -131.59 2.37 -10.64 -0.68 0
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2260 6465 1 NO2C9H15 AB2C9D15 -105.4 3.26 -10.06 0.32 0
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2261 6478 1 C5Cl6 A5B6 1.71 0.87 -9.68 -1.86 0
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2262 6479 1 Br2N2O2C5H6 A2B2C2D5E6 -88.72 3.43 -10.52 -2.88 0
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2263 6487 4 OSiC7H8 ABC7D8 -375.99 2.03 -9.13 0.26 0
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2264 6502 1 O3C5H12 A3B5C12 -160.93 3.98 -10.34 1.96 0
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2265 6511 1 PbC8H20 AB8C20 14.15 0.0 -8.85 0.67 0
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2266 6512 1 SSnO2C11H24 ABC2D11E24 -124.42 8.17 -9.21 -0.34 0
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2267 6516 1 SiO3C8H18 AB3C8D18 -223.66 3.23 -9.51 0.97 0
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2268 6517 1 SiO4C8H20 AB4C8D20 -298.0 0.21 -9.95 0.61 0
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2269 6518 1 N4C5H8O12 A4B5C8D12 -130.45 0.33 -12.08 -1.83 0
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2270 6520 1 SiO4C24H52 AB4C24D52 -368.87 0.67 -9.78 0.57 0
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2271 6521 1 O5C12H22 A5B12C22 -135.2 0.52 -9.77 -0.35 0
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2272 6522 1 SSnO2C10H22 ABC2D10E22 -27.33 34.82 -6.0 -3.35 0
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2273 6525 1 OC8H12 AB8C12 -14.37 1.78 -10.41 1.24 0
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2274 6530 1 PO4C30H39 AB4C30D39 -221.72 0.84 -9.13 -0.01 0
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2275 6539 1 PO3C12H27 AB3C12D27 -240.74 1.3 -10.4 1.15 0
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2276 6543 1 PO2S2N5C6H12 AB2C2D5E6F12 -116.02 5.45 -9.33 -0.71 0
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2277 6544 1 OC9H14 AB9C14 -60.42 5.36 -9.75 0.12 0
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2278 6577 1 OC2Cl2H2 AB2C2D2 -58.16 2.55 -11.27 -0.66 0
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2279 6578 1 NOC3H7 ABC3D7 -58.77 4.16 -10.42 1.14 0
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2280 6579 1 NOC3H5 ABC3D5 -28.1 3.67 -10.45 -0.08 0
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2281 6582 1 NOC3H7 ABC3D7 -54.2 4.68 -9.78 1.28 0
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2282 6587 1 NC2O2H5 AB2C2D5 -21.69 4.2 -11.13 -0.5 0
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2283 6588 2 CHBr2 ABC2 8.56 1.61 -10.74 -1.66 0
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2284 6601 1 ClOC3F5 ABC3D5 -291.8 0.49 -11.73 -2.0 0
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2285 6604 1 N2O9C22H24 A2B9C22D24 -348.39 6.36 -8.93 -1.22 0
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2286 6615 2 NC18H37 AB18C37 -99.29 5.51 -6.31 1.69 2
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2287 6618 1 O2Br4H12C15 A2B4C12D15 -42.01 2.91 -9.28 -0.71 0
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2288 6624 1 OCl2H12C14 AB2C12D14 -25.28 2.93 -9.44 -0.39 0
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2289 6633 1 NSO2C13H19 ABC2D13E19 -84.92 6.22 -9.69 -0.41 0
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2290 6642 1 SO3C10H14 AB3C10D14 -114.17 4.41 -10.33 -0.73 0
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2291 6645 1 SO3C8H10 AB3C8D10 -109.49 5.24 -10.26 -0.62 0
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2292 6646 1 BrNO3C17H24 ABC3D17E24 -118.33 12.78 -7.88 -0.58 0
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2293 6647 1 BrNO2C17H32 ABC2D17E32 -136.36 15.67 -7.7 -0.15 0
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2294 6655 1 BrO2C4H7 AB2C4D7 -99.34 3.93 -11.05 -1.15 0
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2295 6668 2 NSO3C7H7 ABC3D7E7 -190.1 3.62 -8.81 -0.75 0
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2296 6675 1 NSO7C26H45 ABC7D26E45 -372.14 5.85 -10.08 -0.05 0
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2297 6676 1 O5C24H40 A5B24C40 -283.45 4.4 -10.2 0.64 0
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2298 6679 1 ClNO3H12C21 ABC3D12E21 -34.76 4.9 -9.16 -1.83 0
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2299 6684 2 NH3O4C7 AB3C4D7 -72.69 4.95 -9.76 -3.39 0
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2300 6689 1 S2N3O8H15C20 A2B3C8D15E20 -247.27 7.76 -8.35 -2.23 0
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2301 6694 1 ClN2O3C28H31 AB2C3D28E31 -72.62 2.62 -6.67 -0.82 0
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2302 6699 2 O2H8C13 A2B8C13 -18.2 2.73 -9.21 -1.42 0
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2303 6701 1 NO4H9C15 AB4C9D15 -99.41 4.78 -9.48 -2.07 0
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2304 6705 2 NH3O3C7 AB3C3D7 -3.06 1.91 -11.2 -2.35 0
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2305 6710 1 NO2H9C14 AB2C9D14 -17.48 2.17 -8.84 -1.53 0
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2306 6711 2 ClOH3C7 ABC3D7 -24.0 0.0 -9.92 -1.92 0
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2307 6716 1 O4H10C13 A4B10C13 -97.58 2.76 -8.91 -0.68 0
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2308 6726 2 NC9H11 AB9C11 51.17 0.66 -8.3 0.22 0
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2309 6728 1 N3C26H33 A3B26C33 106.65 14.6 -6.32 0.16 2
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2310 6737 1 OCl2H4C7 AB2C4D7 -19.78 3.9 -9.94 -1.14 0
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2311 6743 1 OC29H52 AB29C52 -151.19 2.47 -10.0 3.04 0
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2312 6744 1 OC29H50 AB29C50 -130.08 2.7 -9.15 1.43 0
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2313 6751 1 O2N3C18H19 A2B3C18D19 -17.16 2.95 -9.11 -1.22 0
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2314 6756 1 NOC21H27 ABC21D27 -0.97 2.66 -7.93 0.21 0
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2315 6759 1 N4O6C17H20 A4B6C17D20 -215.07 8.39 -9.41 -2.0 0
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2316 6760 1 NO4H13C14 AB4C13D14 -72.63 5.26 -7.93 -0.8 0
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2317 6770 1 NO4H17C19 AB4C17D19 -84.82 1.9 -8.59 -0.14 0
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2318 6771 1 ClNO2H8C14 ABC2D8E14 -27.33 2.76 -9.11 -1.74 0
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2319 6772 2 OH6C8 AB6C8 -25.56 0.95 -9.96 -1.61 0
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2320 6775 2 ClNOC4 ABCD4 39.24 3.92 -10.84 -3.34 0
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2321 6776 2 O2H4C7 A2B4C7 -101.75 0.0 -9.72 -1.77 0