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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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25294 622282 1 SN5C15H17 AB5C15D17 90.23 2.13 -8.41 -0.53 0
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25295 622284 1 OPN3C18H32 ABC3D18E32 -108.31 4.88 -8.52 0.67 0
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25296 622285 2 OPN3C13H21 ABC3D13E21 -161.16 3.06 -8.49 0.46 -10
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25298 622288 1 SO3C5H5 AB3C5D5 -69.75 4.91 0.0 0.0 0
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25299 622289 1 N2O3H10C15 A2B3C10D15 -26.23 7.8 -8.27 -1.58 0
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25300 622293 1 O4C15H22 A4B15C22 -174.62 2.4 -9.42 0.66 0
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25301 622294 1 ClOSN2H11C12 ABCD2E11F12 18.57 6.45 -9.38 -1.15 0
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25302 622295 1 ClFNO2S2H13C14 ABCD2E2F13G14 -88.37 4.84 -9.12 -0.82 0
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25303 622370 1 N3O5C13H19 A3B5C13D19 -63.31 4.18 -9.48 -1.76 0
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25304 622433 2 SiO2C8H14 AB2C8D14 -271.76 2.38 -9.18 -0.11 0
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25305 622434 1 Si3O5C20H38 A3B5C20D38 -375.28 1.85 -8.58 0.16 0
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25306 622435 1 Si3O4C18H34 A3B4C18D34 -336.64 3.63 -9.17 0.01 0
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25307 622436 1 O3Si3C17H34 A3B3C17D34 -286.73 1.52 -8.96 0.2 0
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25308 622444 1 SN2C18H20 AB2C18D20 63.64 1.63 -8.14 -0.46 0
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25309 622696 1 ClON2H9C15 ABC2D9E15 53.22 4.28 -9.46 -1.46 0
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25310 622698 2 ON2H6C7 AB2C6D7 45.93 1.97 -9.2 -1.73 0
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25311 622708 2 NOC8H8 ABC8D8 0.48 3.51 -8.01 -0.29 0
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25312 622709 1 O7C25H36 A7B25C36 -372.07 7.59 -9.97 0.53 0
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25313 622711 1 Cl2O2H10C13 A2B2C10D13 -41.6 3.94 -8.9 -0.56 0
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25314 622713 1 NC20H29 AB20C29 -13.9 1.99 -8.8 -0.4 0
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25315 622774 2 NO2C9H11 AB2C9D11 -132.03 2.47 -8.56 0.07 0
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25316 622847 1 NSO4C12H15 ABC4D12E15 -55.32 6.12 -8.76 -1.32 0
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25317 622848 1 NS2O4H17C23 AB2C4D17E23 8.65 3.77 -8.65 -1.35 0
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25318 622850 1 Si2O7C10H26 A2B7C10D26 -526.4 0.63 -9.8 0.37 0
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25319 622872 1 OS2Br4H10C12 AB2C4D10E12 30.49 2.17 -9.48 -0.96 0
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25320 622876 1 N3O3F4H11C16 A3B3C4D11E16 -217.44 3.4 -9.21 -1.22 0
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25321 622915 1 N2O3C16H16 A2B3C16D16 -11.45 5.18 -9.22 -1.11 0
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25322 622933 1 F3N3O3H12C13 A3B3C3D12E13 -227.01 1.73 -9.42 -1.15 0
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25323 622948 3 O3C7H8 A3B7C8 -359.53 7.67 -9.17 -0.17 0
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25324 623028 1 SO2C17H20 AB2C17D20 -80.66 7.02 -9.45 -0.11 0
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25325 623029 1 SF3N4H5C10 AB3C4D5E10 -36.9 7.8 -9.32 -2.27 0
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25326 623057 1 BN4H15C18 AB4C15D18 96.31 3.48 -9.1 -0.32 0
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25327 623058 1 NO4C17H17 AB4C17D17 -134.88 4.22 -8.47 -0.08 0
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25328 623097 1 NBr2O2C11H13 AB2C2D11E13 -73.52 3.96 -9.3 -0.96 0
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25329 623137 2 O2C11H17 A2B11C17 -169.37 4.91 -9.44 -0.28 0
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25330 623159 1 NF5H6C13 AB5C6D13 -144.48 2.96 -9.49 -1.42 0
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25331 623164 1 OC27H42 AB27C42 -88.91 3.16 -9.16 1.32 0
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25332 623173 1 OSN3H13C18 ABC3D13E18 77.98 2.9 -8.65 -0.91 0
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25333 623185 1 N3O4H9C13 A3B4C9D13 40.94 7.38 -8.96 -2.11 0
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25334 623233 1 NO4H13C15 AB4C13D15 -109.79 2.04 -9.14 -1.15 -3
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25335 623257 1 O2C10H15 A2B10C15 -61.45 3.46 0.0 0.0 0
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25336 623258 1 OCl3H9C13 AB3C9D13 -17.53 1.94 -8.99 -0.67 0
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25337 623260 1 N2Cl4H6C11 A2B4C6D11 47.47 4.05 -10.04 -1.53 0
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25338 623362 2 NO2H6C7 AB2C6D7 -14.19 6.28 -8.94 -1.46 0
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25339 623364 1 OH16C20 AB16C20 88.19 0.8 -8.64 -0.86 0
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25340 623365 2 NO2H6C7 AB2C6D7 -72.85 2.65 -7.6 -2.09 0
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25341 623366 1 O4C19H24 A4B19C24 -169.49 5.67 -10.33 0.3 0
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25342 623368 2 NO2H6C7 AB2C6D7 -102.21 6.7 -9.08 -1.8 0
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25343 623376 1 N6F10H10C17 A6B10C10D17 -356.31 6.45 -9.68 -1.81 0
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25344 623380 2 ClNOF3H5C8 ABCD3E5F8 -356.04 4.66 -9.64 -1.64 0
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25345 623381 1 O5H12C15 A5B12C15 -143.48 3.64 -8.7 -0.55 0
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25346 623400 2 PC8H9 AB8C9 20.39 1.59 -8.5 0.29 0
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25347 623404 1 O3H14C21 A3B14C21 -39.42 5.02 -8.94 -1.45 0
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25348 623487 1 ClO2N5C10H16 AB2C5D10E16 -38.97 4.04 -9.25 -0.42 0
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25349 623488 1 PF3N3O7C15H25 AB3C3D7E15F25 -522.98 7.83 -10.43 -0.3 0
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25350 623489 16 OC2H2 AB2C2 -604.26 4.68 -8.65 -1.09 0
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25351 623490 1 IO2N3H16C17 AB2C3D16E17 10.44 3.38 -8.91 -1.1 0
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25352 623493 1 NSO4H11C15 ABC4D11E15 -90.25 2.17 -8.85 -0.85 0
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25353 623498 1 SiO5C24H48 AB5C24D48 -360.86 3.37 -9.63 0.55 0
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25354 623500 1 ClO2N3H8C13 AB2C3D8E13 33.7 5.56 -9.05 -1.16 0
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25355 623501 1 SO2N3H11C13 AB2C3D11E13 9.64 3.09 -8.4 -0.49 0
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25356 623502 1 N3O4H11C13 A3B4C11D13 51.49 0.56 -9.29 -1.56 0
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25357 623503 1 N4O7H8C12 A4B7C8D12 13.86 2.49 -9.9 -2.22 0
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25358 623504 1 N3O4H11C13 A3B4C11D13 24.94 8.82 -9.65 -1.6 0
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25359 623505 1 N3O4H11C13 A3B4C11D13 34.22 4.33 -9.91 -2.11 0
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25360 623540 2 BrOH5C7 ABC5D7 -43.04 2.2 -9.51 -1.18 0
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25361 623599 1 ClN6H11C12 AB6C11D12 82.64 3.72 -8.6 -0.52 0
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25362 623603 1 ClSF2N4H5C9 ABC2D4E5F9 -10.6 6.66 -9.27 -2.09 0
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25363 623633 1 C21H22 A21B22 58.41 0.53 -8.45 0.47 0
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25364 623635 1 O3C20H28 A3B20C28 -156.31 3.58 -9.79 -0.01 0
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25365 623636 1 ON2H14C18 AB2C14D18 68.92 3.25 -8.33 -1.0 0
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25366 623653 1 N4O5H6C11 A4B5C6D11 24.87 7.76 -9.27 -2.27 0
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25367 623702 1 N2H18C19 A2B18C19 88.2 4.2 -8.15 -0.54 0
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25368 623704 1 O3N4C13H14 A3B4C13D14 -47.3 2.04 -8.62 0.01 0
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25369 623867 2 NOC8H12 ABC8D12 -64.96 3.31 -8.06 0.25 0
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25370 623890 1 O2S3C11H16 A2B3C11D16 -67.63 2.72 -8.72 -1.46 0
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25371 623898 2 NO2C7H8 AB2C7D8 -159.76 7.43 -8.65 -0.72 0
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25372 623901 1 NO4C21H23 AB4C21D23 -154.48 11.91 -9.1 -0.78 0
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25373 623902 2 NO2C7H8 AB2C7D8 -106.95 5.48 -8.43 -0.33 0
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25374 623903 1 NO2S2H21C25 AB2C2D21E25 20.01 6.67 -8.37 -0.56 0
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25375 623904 2 OF3C5H5 AB3C5D5 -360.71 3.19 -9.46 -0.19 0
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25376 623905 1 OPN6C23H23 ABC6D23E23 99.86 7.41 -8.22 -0.36 0
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25377 623906 1 NO3H19C25 AB3C19D25 -7.14 3.22 -8.32 -1.18 0
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25378 623907 1 O3N4C13H16 A3B4C13D16 -60.44 6.06 -9.09 -0.53 -9
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25380 623909 1 SN4C14H20 AB4C14D20 15.17 3.67 -8.16 -0.18 0
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25381 623910 1 NO2H25C26 AB2C25D26 -19.31 2.2 -7.96 -0.75 0
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25382 623911 1 NSiO2C28H29 ABC2D28E29 -13.79 7.66 -8.83 -0.14 0
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25383 623913 1 OC19H32 AB19C32 -106.54 3.58 -9.48 0.84 0
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25384 623914 1 NO4C17H23 AB4C17D23 -140.9 2.45 -8.82 -0.68 0
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25385 623915 1 FSN2C15H17 ABC2D15E17 -4.29 4.36 -8.4 -0.54 0
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25386 623916 1 PSO2H13C14 ABC2D13E14 -91.03 2.62 -8.59 -0.42 0
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25387 623918 1 OCl2N2H10C15 AB2C2D10E15 11.1 3.51 -9.45 -1.11 0
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25388 623919 1 OC19H32 AB19C32 -110.72 2.33 -9.92 2.99 0
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25389 623921 1 FO3C16H17 AB3C16D17 -136.85 2.63 -8.57 -0.6 0
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25390 623972 1 SiN3C20H23 AB3C20D23 34.89 2.48 -8.48 -0.96 0
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25391 624012 1 NSiO2F3C11H14 ABC2D3E11F14 -272.69 4.45 -8.98 -0.65 0
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25392 624014 1 Br2N2O7H10C15 A2B2C7D10E15 -82.86 5.48 -9.53 -2.13 0
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25393 624046 1 N2O2H14C17 A2B2C14D17 49.96 6.63 -9.25 -1.23 0
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25394 624059 1 ON5H11C15 AB5C11D15 86.69 8.8 -8.59 -1.3 0
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25395 624090 1 ClNO3H12C14 ABC3D12E14 -90.8 5.98 -9.35 -1.11 0