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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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134211 51662977 1 F2N3O3H16C23 A2B3C3D16E23 -97.34 11.1 0.0 0.0 2
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134212 51663023 1 OF3N4C17H21 AB3C4D17E21 -68.71 22.43 -5.23 -1.95 -1
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134213 51663030 1 NO3C14H14 AB3C14D14 -58.25 10.76 0.0 0.0 -1
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134214 51663363 1 O4H13C19 A4B13C19 -34.66 4.52 0.0 0.0 0
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134215 51663364 1 S2N3O5C24H27 A2B3C5D24E27 -154.61 10.27 -8.61 -0.98 -1
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134216 51663484 1 N2O3H19C25 A2B3C19D25 -20.22 3.73 0.0 0.0 -1
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134217 51663485 1 NO5H22C25 AB5C22D25 -72.53 5.02 0.0 0.0 -1
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134218 51663493 1 NO3C16H20 AB3C16D20 -85.56 3.81 0.0 0.0 1
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134219 51663641 1 N2C6H15 A2B6C15 9.26 3.05 0.0 0.0 1
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134220 51663797 1 NOC17H22 ABC17D22 11.07 5.1 0.0 0.0 0
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134221 51664214 1 SN3O3H23C27 AB3C3D23E27 -5.19 5.42 -8.56 -0.8 -1
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134222 51664230 1 N2O7H27C28 A2B7C27D28 -136.74 5.71 0.0 0.0 0
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134223 51664231 1 BrSO3N8H13C15 ABC3D8E13F15 54.98 1.23 -8.89 -1.51 0
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134224 51664232 1 SN2F3O3H15C16 AB2C3D3E15F16 -239.6 9.06 -9.07 -1.06 -1
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134225 51665258 1 H4O4C5N5 A4B4C5D5 21.09 1.91 0.0 0.0 0
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134226 51665259 1 O4C5H5N5 A4B5C5D5 -32.78 2.62 -10.85 -1.62 0
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134227 51665260 1 NO2C16H23 AB2C16D23 -92.64 3.49 -9.13 -0.11 0
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134228 51665422 1 BrFNOH19C26 ABCDE19F26 10.3 5.66 -8.97 -0.9 0
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134229 51665699 1 NO9C22H29 AB9C22D29 -396.69 1.39 -9.13 0.22 0
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134230 51665780 1 N3O3H25C28 A3B3C25D28 10.22 3.42 -8.51 -0.34 1
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134231 51665826 1 N2O2C21H31 A2B2C21D31 -74.27 3.84 0.0 0.0 0
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134232 51666111 1 N2O6H22C25 A2B6C22D25 -143.89 5.37 -8.83 -0.53 0
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134233 51666157 1 FO2N4H19C26 AB2C4D19E26 24.35 4.31 -8.41 -1.1 0
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134234 51666158 1 FO2N4H19C26 AB2C4D19E26 22.88 6.91 -8.81 -1.32 0
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134235 51666159 1 SN3O5C26H35 AB3C5D26E35 -161.97 5.48 -8.54 0.07 1
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134236 51666206 1 NO2C10H14 AB2C10D14 -38.02 3.49 0.0 0.0 0
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134237 51666315 1 NO7C27H35 AB7C27D35 -288.62 7.59 -8.68 -0.66 0
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134238 51666464 1 N2O9C24H28 A2B9C24D28 -284.98 8.91 -8.77 -1.25 0
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134239 51666675 1 SO2N5H27C28 AB2C5D27E28 60.41 5.85 -8.57 -0.92 0
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134240 51666676 1 N4O5C14H18 A4B5C14D18 -94.36 11.64 -9.05 -1.05 0
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134241 51666677 1 NO5C29H45 AB5C29D45 -287.81 5.93 -9.39 0.65 0
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134242 51667184 1 NSO5C30H35 ABC5D30E35 -169.05 7.93 -8.05 -0.42 2
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134243 51667313 2 NO2C13H23 AB2C13D23 -169.24 23.96 -6.51 -0.94 0
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134244 51667378 3 NO2C6H7 AB2C6D7 -127.34 10.88 -8.67 -1.5 1
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134245 51668155 1 SO2N6C27H35 AB2C6D27E35 21.0 12.06 0.0 0.0 0
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134246 51668597 1 FON2C25H27 ABC2D25E27 -31.19 2.89 -8.74 -0.54 0
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134247 51668786 1 SO2N3C19H27 AB2C3D19E27 -68.15 4.78 -9.08 -0.77 1
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134248 51668881 1 NO2C14H30 AB2C14D30 -114.14 1.98 0.0 0.0 0
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134249 51669086 1 N2O2S2C19H22 A2B2C2D19E22 -1.94 8.78 -8.43 -0.24 0
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134250 51669087 1 N2O2S2C19H22 A2B2C2D19E22 -3.56 7.26 -8.36 -0.24 -1
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134251 51669365 1 SF2O4C21H25 AB2C4D21E25 -231.07 4.81 0.0 0.0 0
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134252 51669578 1 FNOC8H10 ABCD8E10 -74.12 2.21 -9.8 -0.38 0
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134253 51669691 2 NC3H6 AB3C6 -5.01 1.21 -8.97 2.63 1
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134254 51669800 1 ON2C13H19 AB2C13D19 -25.36 3.48 0.0 0.0 1
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134255 51670011 1 BrNOC13H21 ABCD13E21 -26.42 7.05 0.0 0.0 1
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134256 51670012 1 BrNOC18H23 ABCD18E23 2.73 7.68 0.0 0.0 1
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134257 51670090 1 OSN3C21H26 ABC3D21E26 46.42 3.47 0.0 0.0 0
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134258 51670291 1 ClOF3N3C22H25 ABC3D3E22F25 -170.22 3.96 -8.66 -1.07 -1
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134259 51670292 1 O2S2N3C10H14 A2B2C3D10E14 -11.05 5.47 0.0 0.0 0
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134260 51670488 1 NSO5C23H31 ABC5D23E31 -229.74 5.01 -8.29 -0.43 -2
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134261 51670748 1 NSCl2O6H11C15 ABC2D6E11F15 -121.38 7.23 -9.71 -3.13 2
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134262 51670985 1 N3C13H29 A3B13C29 -9.75 2.59 -8.58 1.19 0
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134263 51670986 2 NOC6H7 ABC6D7 -13.99 9.89 -8.53 0.2 0
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134264 51670987 2 NOC3H5 ABC3D5 -37.82 9.67 -8.58 1.09 0
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134265 51670988 1 O2N3C11H13 A2B3C11D13 0.82 11.65 -8.56 -0.05 0
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134266 51671105 1 NO4C25H29 AB4C25D29 -152.66 4.07 -8.65 0.0 0
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134267 51671342 1 SN2O3C27H40 AB2C3D27E40 -178.92 4.97 -8.36 -0.43 1
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134268 51671372 1 NO2C13H22 AB2C13D22 -57.52 2.59 0.0 0.0 0
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134269 51671462 1 BrSN2O4H19C20 ABC2D4E19F20 -85.96 2.19 -9.58 -1.31 0
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134270 51671655 1 N2O3C19H28 A2B3C19D28 -140.56 4.68 -9.43 -0.5 1
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134271 51671714 1 OS2N4C13H13 AB2C4D13E13 39.85 8.49 0.0 0.0 0
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134272 51671715 1 NSO6C28H29 ABC6D28E29 -203.31 6.29 -9.1 -0.81 1
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134273 51671716 1 N3O3C29H32 A3B3C29D32 -32.5 4.6 0.0 0.0 0
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134274 51671717 1 N3O3C29H31 A3B3C29D31 -44.36 3.22 -8.74 -0.78 1
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134275 51671718 1 N3O3C29H32 A3B3C29D32 -28.43 1.7 0.0 0.0 0
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134276 51671719 1 N3O3C29H31 A3B3C29D31 -43.0 2.5 -8.64 -0.73 1
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134277 51671720 1 ClON5C27H29 ABC5D27E29 87.43 6.63 0.0 0.0 0
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134278 51671721 1 ClON5C27H28 ABC5D27E28 65.84 5.03 -8.22 -0.25 1
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134279 51671839 1 N2C22H31 A2B22C31 55.87 3.26 0.0 0.0 0
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134280 51671900 2 NO3C12H15 AB3C12D15 -249.67 4.09 -9.46 -0.35 0
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134281 51672096 2 NO2C9H12 AB2C9D12 -157.22 6.78 -8.28 0.12 0
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134282 51672524 1 O2N4C19H30 A2B4C19D30 -84.17 5.08 -8.99 0.09 0
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134283 51672618 1 ClOSN4C25H29 ABCD4E25F29 6.33 5.32 -8.95 -0.93 0
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134284 51672704 1 ClSN2O4C17H25 ABC2D4E17F25 -163.04 3.7 -9.3 -0.3 0
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134285 51672910 1 O2N4C15H26 A2B4C15D26 -71.35 5.88 -8.78 0.33 0
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134286 51672911 1 NSO4C18H29 ABC4D18E29 -170.33 6.83 -8.97 -0.51 0
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134287 51673087 1 NSO4C20H23 ABC4D20E23 -139.73 8.97 -9.28 -0.65 0
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134288 51673088 1 NSO4C20H23 ABC4D20E23 -142.33 5.71 -9.19 -0.6 1
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134289 51673202 1 N2O2C21H33 A2B2C21D33 -83.86 7.05 0.0 0.0 0
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134290 51673218 1 ON2Cl4H22C24 AB2C4D22E24 -2.06 5.17 -9.04 -0.75 0
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134291 51673524 1 FN4H17C20 AB4C17D20 83.0 4.66 -9.43 -0.6 1
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134292 51673525 1 ClN2O4C24H28 AB2C4D24E28 -67.72 9.01 0.0 0.0 1
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134293 51673798 1 NO2C7H16 AB2C7D16 -93.06 3.09 0.0 0.0 -1
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134294 51674689 1 SCl2O4H7C9 AB2C4D7E9 -108.56 4.57 0.0 0.0 -1
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134295 51674717 1 SN3O3H12C13 AB3C3D12E13 -7.24 2.45 0.0 0.0 0
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134296 51674922 1 NS2O5H19C25 AB2C5D19E25 -56.71 3.86 -9.15 -1.03 1
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134297 51675189 1 ClNSO2C13H13 ABCD2E13F13 -3.9 5.11 0.0 0.0 1
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134298 51675628 1 NSF2O2C12H18 ABC2D2E12F18 -151.38 5.28 0.0 0.0 0
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134299 51675811 1 N2O2C11H14 A2B2C11D14 -52.78 2.72 -9.56 0.14 1
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134300 51676030 1 O2N3H16C17 A2B3C16D17 -18.43 1.15 0.0 0.0 1
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134301 51676479 1 NO3C26H38 AB3C26D38 -124.39 10.91 0.0 0.0 0
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134302 51676486 1 NO3C26H37 AB3C26D37 -146.12 5.5 -8.79 -0.16 2
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134303 51676494 1 O4N5C21H25 A4B5C21D25 -75.79 9.23 -6.41 -0.52 0
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134304 51677021 1 ON4C25H26 AB4C25D26 40.63 3.88 -8.68 -0.87 0
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134305 51677072 1 ON6C28H28 AB6C28D28 92.15 3.27 -8.46 -0.57 0
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134306 51677133 1 N3O7C23H27 A3B7C23D27 -220.91 15.84 -8.56 -0.59 0
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134307 51677406 1 O3N5C23H25 A3B5C23D25 -0.47 2.76 -8.53 -0.54 -1
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134308 51677453 1 NO5H26C29 AB5C26D29 -94.94 8.85 0.0 0.0 0
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134309 51677454 1 NO5H27C29 AB5C27D29 -133.73 7.42 -9.01 -1.05 0
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134310 51677462 2 NF2O2H9C10 AB2C2D9E10 -324.44 3.32 -9.02 -0.45 0