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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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442261 135250886 1 NSO6C15H27 ABC6D15E27 -303.11 4.33 -9.39 -0.03 0
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442262 135250887 1 SN4O5C42H48 AB4C5D42E48 -136.08 8.17 -8.17 -0.8 0
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442263 135250892 1 S2N4O12H32C35 A2B4C12D32E35 -217.15 5.29 -8.79 -1.82 0
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442264 135250894 1 SN2O3H34C35 AB2C3D34E35 -25.72 6.8 -8.22 -0.55 0
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442265 135250895 1 N3S3O7H49C51 A3B3C7D49E51 -107.75 4.58 -8.29 -0.82 0
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442266 135250900 1 ON2C8H14 AB2C8D14 -56.4 5.08 -9.28 1.08 0
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442267 135250902 1 N2S3O9C45H54 A2B3C9D45E54 -333.58 5.23 -8.61 -0.91 0
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442268 135250908 1 N2S2O8C39H42 A2B2C8D39E42 -262.2 6.72 -8.2 -0.9 0
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442269 135250914 1 N2S2O10C39H42 A2B2C10D39E42 -325.1 10.78 -8.26 -0.93 0
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442270 135250915 1 S2N4O8C41H44 A2B4C8D41E44 -277.71 6.31 -8.28 -1.16 0
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442271 135250917 1 N2S2O9C41H46 A2B2C9D41E46 -302.74 5.05 -8.19 -0.94 0
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442272 135250919 1 Cl2N2S2O7H36C37 A2B2C2D7E36F37 -229.84 6.9 -8.55 -1.21 0
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442273 135250923 1 N2O4C15H22 A2B4C15D22 -170.32 3.22 -10.02 -0.56 0
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442274 135250926 1 N2S2O12C43H46 A2B2C12D43E46 -430.01 5.16 -8.36 -1.02 0
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442275 135250927 1 N2S4O12C41H46 A2B4C12D41E46 -430.22 15.19 -8.49 -0.97 0
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442276 135250939 1 N5C15H21 A5B15C21 46.07 4.68 -8.35 -0.1 0
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442277 135250943 1 N7C20H21 A7B20C21 115.44 8.7 -8.48 -0.59 0
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442278 135250956 1 O3C22H32 A3B22C32 -159.42 2.0 -8.68 0.25 0
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442279 135250972 1 NF2C21H27 AB2C21D27 -76.12 3.36 -9.75 -0.28 0
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442280 135250976 2 NO3C5H7 AB3C5D7 -216.09 3.97 -9.92 -2.07 0
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442282 135250997 2 OH13C15 AB13C15 39.32 1.58 -8.72 -0.38 0
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442283 135251001 1 O2H22C27 A2B22C27 18.14 1.3 -8.78 -0.41 0
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442284 135251010 2 N2C8H11 A2B8C11 87.28 2.23 -8.85 -0.15 0
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442285 135251014 1 N7C20H21 A7B20C21 117.47 3.82 -8.83 -0.73 0
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442286 135251015 1 N7C20H21 A7B20C21 109.82 3.44 -8.65 -0.51 0
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442287 135251023 1 N8C19H20 A8B19C20 140.48 11.5 -8.6 -0.88 0
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442288 135251024 2 N4C9H11 A4B9C11 116.7 6.76 -8.51 -0.46 0
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442289 135251029 1 O3C22H26 A3B22C26 -95.17 1.34 -8.57 0.04 0
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442290 135251033 1 ClO2N3F6C20H24 AB2C3D6E20F24 -395.26 6.73 -8.16 -0.47 0
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442291 135251043 1 O11H34C41 A11B34C41 -249.67 5.94 -9.54 -0.81 0
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442292 135251046 1 ClNSF2O7H24C26 ABCD2E7F24G26 -305.49 2.44 -8.58 -0.94 0
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442293 135251064 1 NSCl2O5H25C27 ABC2D5E25F27 -159.12 6.13 -8.39 -0.79 0
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442294 135251066 1 N4O7C14H28 A4B7C14D28 -284.52 10.02 -9.81 -0.52 0
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442295 135251069 2 NC17H28 AB17C28 -17.22 0.67 -7.44 0.46 0
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442296 135251099 1 FSO3N7C30H36 ABC3D7E30F36 -77.76 10.84 -8.28 -0.76 0
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442297 135251109 1 ClFSO6H24C26 ABCD6E24F26 -242.66 7.99 -8.63 -0.73 0
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442298 135251116 1 ClNSF4O6H18C24 ABCD4E6F18G24 -386.69 7.29 -8.56 -1.54 0
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442299 135251132 1 FO3C22H23 AB3C22D23 -143.24 6.61 -9.55 -1.06 0
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442300 135251137 1 NO3C22H25 AB3C22D25 -85.33 4.9 -9.45 -1.06 0
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442301 135251146 1 NO3C23H29 AB3C23D29 -124.01 8.43 -8.68 -0.4 0
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442302 135251156 3 NOC7H9 ABC7D9 -101.76 6.72 -9.26 -1.01 0
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442303 135251165 1 N2F3O5C27H29 A2B3C5D27E29 -303.73 2.49 -8.74 -0.92 0
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442304 135251174 1 N3O4F5C16H20 A3B4C5D16E20 -412.95 4.22 -10.26 -0.16 0
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442305 135251190 1 SF2O3N7C29H33 AB2C3D7E29F33 -123.63 4.2 -8.07 -0.96 0
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442306 135251212 1 NO2C17H25 AB2C17D25 -87.75 3.2 -9.46 0.22 0
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442307 135251231 1 N2F3O4C18H23 A2B3C4D18E23 -314.67 2.62 -9.39 -0.11 0
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442308 135251240 1 N2F4O4C19H20 A2B4C4D19E20 -343.25 8.56 -10.2 -1.29 0
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442309 135251241 1 N3F4O4C16H21 A3B4C4D16E21 -354.0 2.46 -9.67 -0.08 0
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442310 135251251 1 F2N2O3C18H20 A2B2C3D18E20 -171.16 3.32 -8.99 -0.5 0
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442311 135251261 1 O5N8C27H32 A5B8C27D32 -81.93 3.86 -8.48 -0.95 0
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442312 135251264 1 SO2N9C26H31 AB2C9D26E31 56.65 9.22 -8.3 -1.11 0
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442313 135251282 1 SN2O5F6C17H24 AB2C5D6E17F24 -536.73 8.28 -9.98 -0.35 0
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442314 135251294 1 O5N8H22C23 A5B8C22D23 -31.59 6.3 -8.36 -1.17 0
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442315 135251295 1 N3F4O5C23H27 A3B4C5D23E27 -358.54 4.65 -8.93 0.04 0
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442316 135251302 1 N2O4C19H34 A2B4C19D34 -236.82 1.0 -9.37 0.92 0
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442317 135251311 1 N3O3F4C15H19 A3B3C4D15E19 -302.26 4.51 -9.83 -0.16 0
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442318 135251313 1 N2F3O4C18H27 A2B3C4D18E27 -337.73 3.74 -9.52 -0.23 0
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442319 135251314 1 SN2F3O6C18H29 AB2C3D6E18F29 -417.88 10.52 -9.64 0.02 0
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442320 135251316 1 NOSC8H17 ABCD8E17 -52.91 4.83 -8.74 0.12 0
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442321 135251322 1 NO5C15H17 AB5C15D17 -165.89 3.28 -9.06 -0.01 0
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442322 135251344 1 O2N3C11H23 A2B3C11D23 -112.46 5.7 -9.14 1.16 0
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442323 135251358 1 INPO2C16H17 ABCD2E16F17 -61.29 2.7 -8.52 -0.98 0
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442324 135251360 1 N2O3C11H22 A2B3C11D22 -153.65 2.34 -8.93 0.19 1
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442325 135251361 1 ON2C8H17 AB2C8D17 -39.19 4.83 0.0 0.0 1
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442326 135251362 1 NOC6H10 ABC6D10 -31.51 4.84 0.0 0.0 0
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442327 135251363 2 NOC5H10 ABC5D10 -95.12 5.28 -9.13 0.41 0
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442328 135251364 1 O2N3C12H25 A2B3C12D25 -122.0 1.82 -9.04 1.17 0
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442329 135251366 1 ON2C8H16 AB2C8D16 -50.12 5.22 -9.75 1.14 0
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442330 135251376 1 O2N3C10H21 A2B3C10D21 -112.01 6.95 -9.26 1.18 0
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442331 135251381 1 O2N3C10H21 A2B3C10D21 -111.92 6.95 -9.27 1.18 0
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442332 135251382 1 O2N3C9H19 A2B3C9D19 -114.42 2.07 -9.46 1.23 0
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442333 135251384 1 FO3N4C19H23 AB3C4D19E23 -66.09 4.91 -8.87 -0.31 0
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442334 135251400 1 N2O3C9H18 A2B3C9D18 -150.33 9.45 -9.58 0.51 0
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442335 135251408 1 ON2C9H20 AB2C9D20 -66.22 3.61 -9.11 1.38 0
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442336 135251413 1 N3O4C12H23 A3B4C12D23 -197.21 11.28 -8.92 0.19 0
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442337 135251417 1 N3O4C12H23 A3B4C12D23 -197.21 11.29 -8.93 0.2 1
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442338 135251419 1 ON2C9H19 AB2C9D19 -53.69 2.4 0.0 0.0 1
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442339 135251420 1 NOC7H12 ABC7D12 -44.04 4.8 0.0 0.0 0
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442340 135251424 1 N2O3C11H22 A2B3C11D22 -153.66 2.33 -8.93 0.19 1
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442341 135251440 1 NC7H16 AB7C16 -7.24 1.49 0.0 0.0 1
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442342 135251441 1 NOC7H12 ABC7D12 -44.05 4.82 0.0 0.0 0
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442343 135251446 1 N2O3C9H18 A2B3C9D18 -150.34 9.43 -9.58 0.5 1
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442344 135251450 1 NOC7H14 ABC7D14 -51.95 4.26 0.0 0.0 0
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442345 135251463 5 NOH3C4 ABC3D4 -32.44 9.91 -9.06 -2.02 0
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442346 135251469 1 N2O2C9H18 A2B2C9D18 -98.4 3.57 -9.36 0.43 0
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442347 135251489 1 OSN4C14H18 ABC4D14E18 35.44 4.35 -8.22 -0.62 0
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442348 135251490 1 ClOH2N2F3C7 ABC2D2E3F7 -149.39 3.66 -10.25 -1.8 0
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442349 135251491 1 SO2N7C26H33 AB2C7D26E33 -6.03 5.22 -8.31 -0.79 0
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442350 135251512 1 N5C21H27 A5B21C27 65.56 3.75 -8.89 -0.61 0
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442351 135251518 1 NO4C25H39 AB4C25D39 -194.83 1.59 -8.21 0.23 0
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442352 135251537 1 BrClO2N4H14C17 ABC2D4E14F17 30.26 6.72 -8.85 -0.89 0
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442353 135251553 1 N2O4C15H22 A2B4C15D22 -151.71 4.78 -9.11 -0.19 0
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442354 135251556 3 FC4H5 AB4C5 -147.31 2.39 -9.52 -0.24 0
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442355 135251557 6 FC2H2 AB2C2 -297.43 5.8 -10.08 -1.16 0
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442356 135251558 1 F2C13H18 A2B13C18 -107.59 2.13 -9.11 0.07 0
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442357 135251559 1 N2S2F3O5C17H25 A2B2C3D5E17F25 -339.37 8.44 -9.54 -1.23 0
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442358 135251560 1 S2O4F5H5C8 A2B4C5D5E8 -362.75 2.01 -10.59 -1.68 0
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442359 135251565 3 FC5H7 AB5C7 -176.15 4.44 -8.82 -0.08 0
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442360 135251566 1 O5N17H33C35 A5B17C33D35 187.91 6.16 -9.11 -1.37 0
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442361 135251567 1 O5N17H31C34 A5B17C31D34 201.36 8.84 -9.2 -1.42 0