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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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424317 135122177 1 OC12H12 AB12C12 7.06 2.83 -9.21 0.11 0
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424318 135122178 1 ClNO2H4C8 ABC2D4E8 15.67 4.15 -9.67 -1.09 0
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424319 135122181 4 NOC3H3 ABC3D3 2.84 6.83 -9.3 -1.37 0
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424320 135122182 3 NOC5H5 ABC5D5 -73.4 4.66 -9.63 -0.94 0
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424321 135122183 1 ClNSO4H8C10 ABCD4E8F10 -132.23 8.96 -9.99 -1.45 0
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424322 135122197 1 N3O4C13H13 A3B4C13D13 -95.7 0.61 -9.07 -1.02 0
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424323 135122198 1 F3H7C9 A3B7C9 -115.18 3.09 -9.92 -0.73 0
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424324 135122199 1 N4O5C17H20 A4B5C17D20 -173.04 5.29 -9.27 -0.99 0
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424325 135122212 1 NH2F3O4C5 AB2C3D4E5 -240.79 3.05 -10.4 -1.77 0
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424326 135122218 1 N2F3O4H17C20 A2B3C4D17E20 -231.41 7.23 -9.64 -1.25 0
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424327 135122220 1 O3N4C18H18 A3B4C18D18 -63.72 3.26 -9.05 -0.93 0
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424328 135122253 1 ON3C13H15 AB3C13D15 3.08 2.24 -8.91 -0.38 0
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424329 135122256 1 N3O4C12H13 A3B4C12D13 -133.68 5.69 -8.89 -0.6 0
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424330 135122260 1 O3N4C11H12 A3B4C11D12 -71.36 4.48 -9.3 -0.81 0
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424331 135122263 1 O9N10C48H54 A9B10C48D54 -299.42 8.25 -8.53 -0.94 0
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424332 135122267 1 Cl2O2N4C17H20 A2B2C4D17E20 -81.92 3.08 -8.96 -0.69 0
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424333 135122281 1 O2F3C11H11 A2B3C11D11 -232.5 2.76 -9.54 0.09 0
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424334 135122283 3 NOC5H5 ABC5D5 -73.31 4.19 -9.68 -1.08 0
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424335 135122284 1 O3N4H16C17 A3B4C16D17 -58.65 2.88 -9.05 -0.9 0
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424336 135122285 1 N3O4C19H19 A3B4C19D19 -102.11 6.68 -8.92 -0.64 0
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424337 135122287 1 BrClFH2N3C4 ABCD2E3F4 -18.37 4.16 -9.89 -1.13 0
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424338 135122289 1 FON2H5C8 ABC2D5E8 -7.25 3.01 -9.64 -1.01 0
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424339 135122290 1 O4N5H15C18 A4B5C15D18 -12.9 6.43 -9.22 -1.52 0
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424340 135122291 1 BrClFN3H4C8 ABCD3E4F8 21.82 1.71 -9.74 -1.62 0
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424341 135122292 1 ClO2F3H10C11 AB2C3D10E11 -245.43 2.25 -10.39 -1.42 0
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424342 135122293 1 O4N5C24H27 A4B5C24D27 -108.67 3.02 -8.77 -0.82 0
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424343 135122294 1 N5O5C30H41 A5B5C30D41 -179.58 6.94 -8.83 -0.94 0
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424344 135122300 1 N2O4C17H24 A2B4C17D24 -169.86 4.23 -10.01 -0.28 0
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424345 135122313 1 N2O4C15H16 A2B4C15D16 -115.83 2.98 -9.35 -0.92 0
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424346 135122316 1 F3O3C11H11 A3B3C11D11 -264.03 3.26 -9.12 0.09 0
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424347 135122318 1 FSN2H5C8 ABC2D5E8 27.25 2.67 -9.44 -1.22 0
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424348 135122320 1 O3N4H16C18 A3B4C16D18 -29.96 5.19 -8.9 -0.63 0
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424349 135122321 1 NO2C10H11 AB2C10D11 -41.05 2.33 -9.66 -0.41 0
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424350 135122323 1 BrON3C12H14 ABC3D12E14 -5.08 4.69 -9.04 -0.82 0
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424351 135122324 1 ClNH18C23 ABC18D23 121.04 1.54 -9.3 -0.42 0
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424352 135122325 2 ON3C11H13 AB3C11D13 14.96 5.11 -8.05 -0.36 0
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424353 135122326 1 ClO3N6C21H21 AB3C6D21E21 -18.38 4.89 -9.11 -1.09 0
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424354 135122329 1 N4O6C29H38 A4B6C29D38 -220.2 5.14 -9.54 -1.17 0
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424355 135122341 1 N4O6C29H38 A4B6C29D38 -220.52 5.3 -9.51 -1.25 0
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424356 135122342 1 N5O5C30H41 A5B5C30D41 -181.12 8.54 -9.35 -1.02 0
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424357 135122361 1 ClON3C11H16 ABC3D11E16 -45.14 7.12 -8.86 -0.62 0
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424358 135122370 1 SN6H36C50 AB6C36D50 272.18 2.79 -8.06 -1.45 0
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424359 135122381 1 N4O5C28H38 A4B5C28D38 -187.08 10.05 -9.32 -1.16 0
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424360 135122398 1 N3O4C25H33 A3B4C25D33 -151.07 7.96 -9.39 -0.66 0
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424361 135122401 1 ClFSN2H4C8 ABCD2E4F8 27.88 1.05 -9.39 -1.46 0
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424362 135122402 1 N3O5C24H29 A3B5C24D29 -146.04 2.69 -9.53 -1.4 0
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424363 135122409 1 SN4O6C26H36 AB4C6D26E36 -213.92 1.7 -9.62 -1.43 0
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424364 135122413 1 N4O5C27H36 A4B5C27D36 -180.46 4.07 -9.54 -0.9 0
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424365 135122414 1 BrNSO2H10C11 ABCD2E10F11 -19.96 4.56 -10.1 -0.7 0
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424366 135122415 1 SN4O7C28H38 AB4C7D28E38 -255.35 9.37 -9.46 -1.42 0
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424367 135122416 1 N3O5C25H31 A3B5C25D31 -166.33 5.74 -9.56 -1.46 0
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424368 135122417 1 N4O5C26H34 A4B5C26D34 -189.41 9.21 -9.34 -1.34 0
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424369 135122419 1 N4O5C26H34 A4B5C26D34 -176.37 8.2 -9.57 -1.0 0
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424370 135122420 1 N4O5C25H32 A4B5C25D32 -178.14 3.28 -9.58 -1.04 0
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424371 135122425 1 SO2F3N6C25H25 AB2C3D6E25F25 -130.62 7.62 -8.67 -0.92 0
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424372 135122429 1 IO2N3C15H22 AB2C3D15E22 -45.14 2.09 -9.66 -0.87 0
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424373 135122441 1 ClF3N3O5H17C20 AB3C3D5E17F20 -265.67 4.27 -8.86 -0.86 0
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424374 135122443 1 N4O5C28H38 A4B5C28D38 -199.02 6.51 -9.56 -0.99 0
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424375 135122444 1 N4O5C27H36 A4B5C27D36 -193.61 3.79 -9.54 -1.1 0
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424376 135122455 1 N2O2C9H12 A2B2C9D12 -50.68 4.31 -10.17 -1.31 0
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424377 135122462 1 N3O4C25H33 A3B4C25D33 -150.25 7.51 -9.43 -0.75 0
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424378 135122473 1 FO3C11H13 AB3C11D13 -161.38 0.74 -9.55 -0.64 0
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424379 135122475 2 NOH6C8 ABC6D8 5.83 3.48 -8.79 -1.39 0
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424380 135122477 1 ClN3O4C24H30 AB3C4D24E30 -150.83 4.99 -9.49 -1.06 -1
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424381 135122481 1 N12O14C84H125 A12B14C84D125 -553.79 17.45 0.0 0.0 0
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424382 135122482 2 N6O7C42H63 A6B7C42D63 -630.67 4.75 -9.37 -0.26 0
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424383 135122483 1 N5O5C31H43 A5B5C31D43 -186.32 3.72 -8.74 -0.91 0
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424384 135122485 1 N3O4C20H31 A3B4C20D31 -166.87 2.81 -9.34 -0.34 0
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424385 135122486 1 N4O5C27H36 A4B5C27D36 -188.57 3.63 -9.39 -1.25 0
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424386 135122500 1 N2O3C17H26 A2B3C17D26 -127.84 4.69 -9.67 -0.06 0
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424387 135122506 1 ClFO2C10H10 ABC2D10E10 -128.88 1.91 -10.08 -1.19 0
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424388 135122509 1 SO5C10H20 AB5C10D20 -244.38 3.75 -10.16 0.25 0
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424389 135122513 2 NO2C12H16 AB2C12D16 -115.29 4.64 -9.35 -0.45 0
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424390 135122514 1 ClO3N6C24H29 AB3C6D24E29 -70.76 6.1 -8.51 -1.01 0
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424391 135122518 1 N4O5C28H38 A4B5C28D38 -196.41 9.98 -9.37 -1.12 0
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424392 135122521 1 N3O3C18H29 A3B3C18D29 -120.7 3.33 -9.52 -0.49 0
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424393 135122522 1 N2O3H12C13 A2B3C12D13 -78.86 9.91 -8.59 -1.58 0
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424394 135122527 1 FNO3C15H22 ABC3D15E22 -164.05 4.37 -9.36 0.34 0
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424395 135122530 2 N2O3C15H20 A2B3C15D20 -226.75 7.98 -9.46 -1.13 0
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424396 135122534 1 ClOSN4F5H6C15 ABCD4E5F6G15 -185.78 7.81 -9.54 -2.01 0
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424397 135122546 1 N5O5C29H39 A5B5C29D39 -162.07 4.75 -9.36 -1.02 0
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424398 135122547 1 OSF3N6C26H27 ABC3D6E26F27 -70.05 3.19 -8.71 -0.96 0
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424399 135122548 1 OF3N4H11C12 AB3C4D11E12 -127.34 4.3 -8.39 -0.56 0
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424400 135122549 4 NOC6H7 ABC6D7 -87.5 6.83 -9.54 -1.32 0
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424401 135122550 1 NO4C12H13 AB4C12D13 -136.07 5.04 -9.69 -0.94 0
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424402 135122561 1 F3N3O4C18H22 A3B3C4D18E22 -261.09 3.09 -8.75 -0.67 0
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424403 135122566 1 ClO3N5C25H30 AB3C5D25E30 -83.14 4.02 -8.22 -1.07 0
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424404 135122567 1 ClO3N5C25H30 AB3C5D25E30 -83.4 4.45 -8.29 -1.06 0
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424405 135122575 2 O3C8H8 A3B8C8 -191.61 4.56 -9.03 -0.69 0
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424406 135122577 2 NOC11H14 ABC11D14 -33.42 4.32 -8.8 0.24 0
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424407 135122579 1 N2O3C17H26 A2B3C17D26 -127.98 6.86 -9.65 -0.03 0
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424408 135122582 1 N5O8C36H45 A5B8C36D45 -269.35 3.42 -9.6 -1.11 0
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424409 135122583 1 N4O5C26H34 A4B5C26D34 -167.21 3.08 -9.49 -1.06 0
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424410 135122586 1 N5O6C30H39 A5B6C30D39 -223.51 6.69 -9.52 -1.27 0
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424411 135122588 1 N4O5C27H36 A4B5C27D36 -189.78 4.91 -9.52 -1.1 0
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424412 135122595 1 NOP2C15H35 ABC2D15E35 -106.37 1.86 -8.58 2.05 0
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424413 135122596 1 SO2F3N7C25H26 AB2C3D7E25F26 -99.3 2.24 -8.58 -1.02 0
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424414 135122597 1 N11O15C71H91 A11B15C71D91 -540.14 11.71 -8.86 -1.26 0
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424415 135122602 1 SF3N4C21H23 AB3C4D21E23 -93.26 5.72 -8.61 -0.8 0
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424416 135122603 1 N3O4C23H29 A3B4C23D29 -134.52 6.56 -9.45 -0.84 0