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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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134311 51677659 1 N2O2C29H42 A2B2C29D42 -76.94 2.47 -8.76 0.16 1
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134312 51677996 1 SN3O4C24H32 AB3C4D24E32 -97.25 6.02 0.0 0.0 0
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134313 51678746 1 NSO7C20H27 ABC7D20E27 -297.47 6.04 -8.95 -0.4 0
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134314 51679352 1 NO8C27H33 AB8C27D33 -305.32 6.07 -9.08 -0.11 0
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134315 51679803 1 SN4O6C26H28 AB4C6D26E28 -161.13 15.13 -9.04 -1.32 -1
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134316 51679804 1 SN4O6C26H27 AB4C6D26E27 -141.86 7.08 0.0 0.0 1
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134317 51680322 1 N2O2C24H33 A2B2C24D33 -61.74 1.73 0.0 0.0 0
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134318 51680391 1 NO7C27H35 AB7C27D35 -285.02 6.42 -8.46 -0.46 0
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134319 51680759 1 BrN3O3C20H22 AB3C3D20E22 -77.9 7.64 -8.53 -0.73 0
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134320 51680760 1 BrN3O3C20H22 AB3C3D20E22 -77.73 5.62 -8.52 -0.89 0
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134321 51680761 1 BrN3O3C20H22 AB3C3D20E22 -75.54 4.39 -8.61 -0.81 0
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134322 51680762 1 BrN3O3C20H22 AB3C3D20E22 -73.75 6.27 -8.73 -0.7 0
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134323 51680763 1 BrN2O3C22H25 AB2C3D22E25 -93.61 4.75 -8.72 -0.32 0
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134324 51680764 1 BrN2O3C22H25 AB2C3D22E25 -95.3 5.42 -8.64 -0.15 0
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134325 51680765 1 BrN2O4C21H23 AB2C4D21E23 -106.57 4.49 -8.48 -0.71 -2
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134326 51681007 1 SN2O5H14C19 AB2C5D14E19 26.91 15.43 -9.42 -3.04 0
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134327 51681178 2 FNOC6H7 ABCD6E7 -166.27 3.87 -9.07 -0.4 0
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134328 51681195 1 NO3C16H23 AB3C16D23 -111.46 5.21 -8.8 0.58 0
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134329 51681223 1 O2N4C11H18 A2B4C11D18 5.55 10.09 -8.99 -0.4 0
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134330 51681920 1 O2N5C12H15 A2B5C12D15 -18.15 2.71 -8.99 -0.79 0
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134331 51681948 1 ClSO2N3C11H16 ABC2D3E11F16 -45.56 1.54 -9.21 -1.21 1
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134332 51682097 1 SN4H11C14 AB4C11D14 93.97 9.82 0.0 0.0 1
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134333 51682302 1 ClSO2N4C11H20 ABC2D4E11F20 -30.31 8.54 0.0 0.0 1
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134334 51682303 1 ClSO2N4C11H20 ABC2D4E11F20 -51.02 6.62 0.0 0.0 0
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134335 51682669 1 ClNO2C34H50 ABC2D34E50 -80.91 2.47 -8.67 -0.3 0
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134336 51682941 1 NSO5C13H17 ABC5D13E17 -182.71 4.87 -9.59 -1.37 0
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134337 51683103 1 N2O11C21H26 A2B11C21D26 -444.77 4.08 -9.98 -0.79 1
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134338 51683121 1 ON2C9H19 AB2C9D19 -39.78 3.86 0.0 0.0 0
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134339 51683367 1 N2C17H28 A2B17C28 -10.44 0.76 -8.52 0.46 2
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134340 51683368 2 NC8H14 AB8C14 -0.96 0.76 -8.89 0.3 0
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134341 51683407 1 ClFSN3O4C23H29 ABCD3E4F23G29 -177.12 3.27 -9.07 -1.01 0
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134342 51683408 1 SN2O3C22H28 AB2C3D22E28 -111.31 4.04 -8.79 -0.18 1
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134343 51683803 1 FO2N3C22H27 AB2C3D22E27 -90.1 7.64 0.0 0.0 0
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134344 51683928 1 O9C22H30 A9B22C30 -390.53 2.76 -10.04 -0.31 1
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134345 51684042 1 N3O3C26H36 A3B3C26D36 -70.94 1.01 0.0 0.0 0
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134346 51684225 1 S2N3O6C19H29 A2B3C6D19E29 -214.36 4.48 -9.41 -1.02 -2
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134347 51684226 1 ClFNSO4H11C15 ABCDE4F11G15 -76.54 5.47 -9.86 -2.31 1
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134348 51684285 1 SN3C15H18 AB3C15D18 81.62 8.33 0.0 0.0 1
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134349 51684514 1 OSN3C22H28 ABC3D22E28 28.28 5.77 0.0 0.0 0
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134350 51684515 1 OSN3C22H27 ABC3D22E27 12.11 4.97 -8.45 -0.24 1
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134351 51684516 1 OSN3C23H30 ABC3D23E30 45.89 19.02 0.0 0.0 0
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134352 51684552 1 FSN2O3C21H27 ABC2D3E21F27 -176.67 3.72 -9.55 -1.0 0
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134353 51684615 1 FO2N3C19H20 AB2C3D19E20 -97.13 4.83 -8.58 -0.41 0
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134354 51684940 1 N4O5C23H30 A4B5C23D30 -125.49 1.38 -9.51 -0.05 1
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134355 51685466 1 ClN7C22H25 AB7C22D25 141.76 7.95 0.0 0.0 0
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134356 51685635 1 N2O3C16H18 A2B3C16D18 -76.24 5.66 -9.46 -0.83 0
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134357 51685760 1 SN3C19H29 AB3C19D29 0.19 5.16 -8.26 0.16 1
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134358 51685761 1 O2N3C25H28 A2B3C25D28 10.15 5.41 0.0 0.0 0
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134359 51685762 1 O2N3C25H27 A2B3C25D27 -12.0 3.2 -8.75 -0.06 0
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134360 51685763 1 FO2N4H21C26 AB2C4D21E26 -4.16 4.84 -9.56 -0.88 0
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134361 51685802 1 SN5C20H31 AB5C20D31 29.37 5.44 -8.47 -0.08 1
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134362 51685803 1 SN5C20H32 AB5C20D32 53.41 3.21 0.0 0.0 0
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134363 51685804 1 SN5C20H31 AB5C20D31 27.94 2.76 -8.55 -0.22 1
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134364 51686107 1 SN2O2C15H23 AB2C2D15E23 -37.69 3.1 0.0 0.0 1
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134365 51686263 1 ON2C23H29 AB2C23D29 16.74 3.1 0.0 0.0 0
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134366 51686292 1 SN3O3C18H29 AB3C3D18E29 -137.44 9.01 -9.34 -0.53 0
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134367 51686310 1 N2S2O4C21H26 A2B2C4D21E26 -115.27 1.11 -9.22 -1.15 0
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134368 51686515 1 FSN3C17H22 ABC3D17E22 -2.92 3.36 -8.64 -0.72 0
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134369 51687426 1 SO2N4C23H28 AB2C4D23E28 -47.24 4.21 -8.38 -0.08 0
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134370 51687427 1 N3O4C25H33 A3B4C25D33 -135.58 3.62 -8.62 0.03 0
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134371 51687428 1 N3O4C25H33 A3B4C25D33 -133.2 2.76 -8.83 -0.14 0
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134372 51687429 1 N3O4C25H29 A3B4C25D29 -87.03 4.93 -8.7 -0.11 0
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134373 51687430 1 N3O4C25H29 A3B4C25D29 -90.05 2.12 -8.81 -0.24 0
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134374 51687431 1 N3O4C24H35 A3B4C24D35 -167.19 2.23 -9.7 0.1 0
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134375 51687524 1 N2O4C21H22 A2B4C21D22 -105.14 4.47 -8.06 -0.63 0
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134376 51687706 1 O2N3C16H19 A2B3C16D19 -18.44 3.52 -8.6 -0.46 0
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134377 51687707 1 OSN6C19H20 ABC6D19E20 63.73 4.3 -8.59 -0.46 0
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134378 51687873 1 ClN3O4C17H18 AB3C4D17E18 -110.3 3.64 -9.53 -1.19 0
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134379 51687981 1 ON2C10H16 AB2C10D16 -8.21 2.75 -9.64 0.35 0
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134380 51688010 1 BrOCl2N4H11C19 ABC2D4E11F19 91.59 3.83 -9.34 -1.16 0
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134381 51688126 1 ClON3C22H28 ABC3D22E28 -13.16 7.55 -8.3 -0.14 -1
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134382 51688538 1 ClSN5C15H15 ABC5D15E15 120.17 7.31 0.0 0.0 0
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134383 51688662 1 BrN3O3H16C18 AB3C3D16E18 -22.57 9.7 -8.43 -0.37 0
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134384 51688739 1 SN3O5C17H19 AB3C5D17E19 -134.01 6.68 -8.39 -0.39 0
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134385 51688740 1 SN3O5C17H19 AB3C5D17E19 -134.47 7.25 -8.22 -0.27 0
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134386 51688741 1 SN3O4C16H17 AB3C4D16E17 -99.51 6.21 -8.35 -0.31 0
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134387 51689007 1 N3O5H15C17 A3B5C15D17 -92.51 8.85 -8.48 -0.48 1
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134388 51689141 1 N3O4C12H18 A3B4C12D18 -122.16 2.25 0.0 0.0 -1
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134389 51689515 1 NO12C19H26 AB12C19D26 -486.13 6.74 0.0 0.0 0
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134390 51689516 1 NO12C19H27 AB12C19D27 -513.65 4.23 -9.17 -0.64 0
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134391 51689593 1 BrO5H21C22 AB5C21D22 -164.15 6.36 -9.52 -0.94 0
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134392 51689594 1 N2O5C27H28 A2B5C27D28 -159.91 6.55 -8.97 -0.7 0
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134393 51689612 1 ClN4O5H23C25 AB4C5D23E25 -77.18 5.93 -9.03 -1.13 0
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134394 51689690 1 NSO6C24H25 ABC6D24E25 -192.57 9.72 -8.73 -0.65 -1
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134395 51690149 1 NO3C30H46 AB3C30D46 -142.57 2.03 0.0 0.0 0
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134396 51690254 1 FSN2O3C26H27 ABC2D3E26F27 -107.29 5.62 -9.48 -0.7 0
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134397 51690255 1 FSN2O3C26H27 ABC2D3E26F27 -108.3 6.66 -9.34 -0.82 0
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134398 51690424 1 S2N3O5C20H27 A2B3C5D20E27 -206.77 5.92 -9.39 -0.49 -1
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134399 51690462 1 N2O6C28H41 A2B6C28D41 -243.02 5.41 0.0 0.0 0
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134400 51690957 1 NO2C9H19 AB2C9D19 -115.1 11.12 -9.49 0.58 2
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134401 51691763 1 O3N5C22H27 A3B5C22D27 52.72 21.02 -4.51 -1.39 2
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134402 51691764 1 O3N5C20H29 A3B5C20D29 26.54 18.82 -4.7 -1.14 1
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134403 51691765 1 O3N5H24C26 A3B5C24D26 0.28 1.93 0.0 0.0 2
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134404 51692404 1 SO2N6C20H28 AB2C6D20E28 10.9 9.45 -7.77 -1.14 1
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134405 51692674 1 ON2C18H25 AB2C18D25 9.39 0.9 0.0 0.0 1
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134406 51692728 1 O2N3C20H24 A2B3C20D24 13.26 5.03 0.0 0.0 0
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134407 51693084 1 O6C19H28 A6B19C28 -259.31 3.77 -9.33 -1.01 -1
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134408 51693130 1 O6C22H31 A6B22C31 -227.84 1.93 0.0 0.0 0
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134409 51693155 1 O8C17H24 A8B17C24 -351.21 2.43 -9.77 -0.07 -1
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134410 51693156 1 O8C17H23 A8B17C23 -297.24 1.4 0.0 0.0 0