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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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425430 135126305 1 IF2O2S2N3C11H14 AB2C2D2E3F11G14 -122.75 3.96 -8.91 -1.3 0
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425431 135126307 1 IF2O2S2N3C11H14 AB2C2D2E3F11G14 -127.82 7.2 -8.55 -1.08 0
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425432 135126308 1 BrFSN2O2C12H16 ABCD2E2F12G16 -80.81 5.38 -9.48 -0.29 0
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425433 135126309 1 O2N3C21H23 A2B3C21D23 -27.73 5.46 -9.48 -1.21 0
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425434 135126311 1 BrFINH4C7 ABCDE4F7 22.75 1.99 -9.56 -1.38 0
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425435 135126317 1 ClNOF3H5C7 ABCD3E5F7 -170.97 2.35 -10.44 -1.43 0
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425436 135126318 1 O3N4C25H30 A3B4C25D30 -84.17 5.13 -8.61 -0.38 0
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425437 135126320 1 SF2O4N7C23H23 AB2C4D7E23F23 -66.73 1.53 -9.37 -1.08 0
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425438 135126322 1 O3N6C26H34 A3B6C26D34 -62.92 3.86 -8.88 -0.47 0
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425439 135126326 1 N3O3F6H19C22 A3B3C6D19E22 -385.45 6.96 -9.26 -0.83 0
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425440 135126327 1 SF3N3O4C22H22 AB3C3D4E22F22 -212.05 8.84 -9.08 -0.87 0
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425441 135126331 1 ISF2N2O2C10H13 ABC2D2E2F10G13 -139.01 2.49 -9.71 -1.25 0
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425442 135126346 1 SO2F3N6H23C24 AB2C3D6E23F24 -109.57 8.16 -8.68 -0.9 0
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425443 135126352 1 SN2O4C24H26 AB2C4D24E26 -132.02 3.45 -8.83 -0.81 0
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425444 135126355 2 NOH7C9 ABC7D9 8.1 3.52 -9.13 -0.46 0
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425445 135126359 1 NO5C34H69 AB5C34D69 -357.7 3.92 -9.33 0.87 0
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425446 135126360 1 NO2F3C15H18 AB2C3D15E18 -241.83 6.22 -8.57 -0.12 0
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425447 135126364 1 NO6C32H49 AB6C32D49 -282.26 1.79 -9.25 -0.73 0
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425448 135126369 1 SF2O3N6C24H26 AB2C3D6E24F26 -93.24 9.28 -9.23 -0.71 0
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425449 135126370 1 OF3N6H19C27 AB3C6D19E27 3.5 7.88 -8.41 -1.48 0
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425450 135126372 1 OF3N4H27C30 AB3C4D27E30 -65.62 10.55 -8.74 -0.8 0
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425451 135126373 1 SF3N3O3C18H22 AB3C3D3E18F22 -223.35 5.89 -9.73 -0.39 0
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425452 135126374 1 SF3N3O3C18H22 AB3C3D3E18F22 -223.1 4.13 -9.73 -0.6 0
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425453 135126375 1 N2O3C26H26 A2B3C26D26 -55.71 2.65 -9.01 -0.78 0
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425455 135126381 1 INO2F3H11C15 ABC2D3E11F15 -186.74 5.2 -8.98 -0.95 0
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425458 135126395 1 OF3N6H29C33 AB3C6D29E33 -14.06 8.12 -8.44 -0.8 0
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425459 135126408 1 OF3N7H28C32 AB3C7D28E32 -1.27 9.18 -8.61 -0.84 0
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425460 135126409 1 SF2O4N5C20H21 AB2C4D5E20F21 -151.41 9.87 -9.22 -1.15 0
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425461 135126411 1 FO2N3C13H18 AB2C3D13E18 -101.43 3.93 -8.66 -0.31 0
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425462 135126412 1 ClFIN2H3C8 ABCD2E3F8 47.83 1.56 -9.96 -1.78 0
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425463 135126415 1 O2F3N6H25C31 A2B3C6D25E31 -44.35 7.99 -8.72 -0.89 0
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425465 135126417 1 OF3N6H17C26 AB3C6D17E26 11.98 2.76 -8.47 -1.5 0
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425466 135126419 1 OF4N6H16C26 AB4C6D16E26 -33.74 9.06 -8.56 -1.61 0
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425467 135126422 1 O2F3N6H21C28 A2B3C6D21E28 -40.27 8.58 -8.76 -0.9 0
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425468 135126425 1 SF3O3N6H23C26 AB3C3D6E23F26 -149.22 8.95 -8.81 -0.98 0
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425469 135126428 1 S2F3O3N6H21C22 A2B3C3D6E21F22 -123.85 4.54 -9.39 -1.18 0
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425470 135126429 1 SF2N4H14C19 AB2C4D14E19 43.36 2.14 -9.11 -1.59 0
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425471 135126439 1 BrSF2O2N4H17C18 ABC2D2E4F17G18 -81.83 3.24 -9.41 -0.98 0
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425472 135126442 1 SF3O4N6C23H23 AB3C4D6E23F23 -175.03 8.88 -9.42 -1.28 0
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425473 135126448 1 SF2O2N5C20H21 AB2C2D5E20F21 -61.89 6.64 -9.34 -1.22 0
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425474 135126450 1 SF2O3N5C21H21 AB2C3D5E21F21 -71.71 6.94 -9.67 -1.11 0
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425476 135126456 1 SF2O3N4C19H20 AB2C3D4E19F20 -139.22 8.33 -9.21 -1.27 0
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425477 135126459 1 ClNO2F3H7C9 ABC2D3E7F9 -207.12 1.68 -10.35 -1.41 0
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425478 135126461 1 SF2O2N4C21H22 AB2C2D4E21F22 -73.32 2.81 -8.67 -1.68 0
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425479 135126463 1 SF2O2N4C21H22 AB2C2D4E21F22 -74.79 1.65 -8.64 -1.46 0
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425480 135126469 1 SF2O3N5H19C20 AB2C3D5E19F20 -56.99 7.07 -9.25 -1.17 0
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425481 135126475 1 SF2N3O5C13H13 AB2C3D5E13F13 -240.06 6.09 -10.07 -1.46 0
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425482 135126478 1 BrFSN3O4C14H17 ABCD3E4F14G17 -150.19 4.39 -9.16 -0.78 0
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425483 135126499 1 ON6C20H22 AB6C20D22 34.48 6.12 -8.9 -0.47 0
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425484 135126503 1 SN7O7C50H63 AB7C7D50E63 -202.63 7.86 -8.56 -1.16 0
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425485 135126505 1 SN7O7C53H69 AB7C7D53E69 -232.63 8.14 -8.6 -0.74 0
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425486 135126512 1 OSF2N4H18C20 ABC2D4E18F20 -14.68 0.55 -9.03 -1.74 0
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425487 135126516 1 SO3N4C18H22 AB3C4D18E22 -47.03 7.37 -9.07 -1.55 0
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425488 135126519 1 SO3N4C18H22 AB3C4D18E22 -49.12 5.5 -9.08 -1.58 0
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425489 135126523 1 O5H18C19 A5B18C19 -155.49 3.87 -9.02 -0.76 0
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425490 135126525 1 OSF3N7H22C26 ABC3D7E22F26 13.71 3.56 -8.89 -0.99 0
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425491 135126537 1 O6C21H22 A6B21C22 -195.08 2.94 -9.22 -0.89 0
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425492 135126539 1 O4C21H32 A4B21C32 -216.63 1.47 -9.42 -0.14 0
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425493 135126543 1 SO2N4F5H19C28 AB2C4D5E19F28 -183.87 7.76 -9.13 -1.61 0
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425494 135126544 1 OSF2N5H19C21 ABC2D5E19F21 18.99 1.97 -9.05 -1.11 0
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425495 135126547 1 BrO2F4H9C12 AB2C4D9E12 -235.99 4.92 -10.16 -1.25 0
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425496 135126549 1 SO2F4N4H20C28 AB2C4D4E20F28 -126.85 6.17 -9.01 -1.55 0
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425497 135126551 1 N7O8C18H31 A7B8C18D31 -320.67 5.24 -9.94 -2.06 0
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425498 135126552 1 N4O5C12H18 A4B5C12D18 -173.21 7.23 -10.09 -2.23 0
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425500 135126554 1 SN3O3C19H23 AB3C3D19E23 -54.23 4.39 -8.88 -1.67 0
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425501 135126556 1 SF2O3N5H29C32 AB2C3D5E29F32 -95.62 3.77 -8.91 -1.66 0
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425503 135126560 1 OF3N6H17C19 AB3C6D17E19 -81.34 4.99 -9.64 -1.5 0
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425504 135126562 1 ClOSN4F5H14C21 ABCD4E5F14G21 -168.44 2.88 -9.61 -1.87 0
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425505 135126563 1 FON5H18C19 ABC5D18E19 19.43 4.45 -9.04 -1.35 0
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425506 135126568 1 F2O2N4H20C21 A2B2C4D20E21 -107.31 8.87 -9.33 -1.05 0
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425507 135126578 1 ClNO2C14H18 ABC2D14E18 -86.13 4.42 -8.21 0.13 0
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425508 135126579 1 ClO2N4C17H19 AB2C4D17E19 -32.98 2.11 -8.47 -0.42 0
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425509 135126581 1 ClN2O2C13H17 AB2C2D13E17 -79.79 3.24 -8.61 -0.21 0
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425510 135126587 1 O2F3N3C18H18 A2B3C3D18E18 -199.02 4.68 -8.91 -0.54 0
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425511 135126590 1 O3N4C19H20 A3B4C19D20 -38.94 3.78 -8.58 -0.65 0
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425512 135126592 1 OF3N6H17C26 AB3C6D17E26 8.51 8.68 -8.74 -0.93 0
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425513 135126593 1 O2F3N4C11H13 A2B3C4D11E13 -231.03 7.82 -9.48 0.1 0
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425514 135126595 1 OF3N6H17C26 AB3C6D17E26 4.89 7.06 -8.5 -1.5 0
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425515 135126596 1 O2N4C19H24 A2B4C19D24 -55.06 7.58 -8.79 0.17 0
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425516 135126597 1 OF3N7H26C30 AB3C7D26E30 2.28 5.01 -8.37 -1.46 0
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425517 135126598 1 OF3N4H19C29 AB3C4D19E29 -13.96 8.98 -8.79 -0.88 0
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425518 135126601 1 O2F3N6H23C29 A2B3C6D23E29 -35.03 9.24 -8.65 -0.87 0
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425519 135126604 1 O3C12H14 A3B12C14 -98.84 6.37 -10.09 -0.66 0
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425520 135126605 1 N3O4C23H29 A3B4C23D29 -120.0 3.81 -9.4 -0.64 -1
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425521 135126606 1 N14O18C98H139 A14B18C98D139 -704.94 2.69 0.0 0.0 0
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425522 135126608 1 N5O5C29H39 A5B5C29D39 -175.76 6.94 -9.37 -1.09 0
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425523 135126610 1 N4O5C29H38 A4B5C29D38 -172.52 3.18 -9.54 -0.92 0
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425524 135126614 1 N2O2C23H30 A2B2C23D30 -39.96 3.85 -8.81 0.22 0
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425525 135126616 1 N3O6C25H31 A3B6C25D31 -205.82 5.94 -9.57 -1.42 0
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425526 135126623 1 SO4N6C31H36 AB4C6D31E36 -45.0 5.77 -8.93 -1.03 0
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425527 135126624 1 SO4N6C31H36 AB4C6D31E36 -45.27 4.92 -9.12 -1.03 0
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425528 135126632 1 N3O7C24H27 A3B7C24D27 -184.22 1.71 -9.64 0.02 0
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425529 135126633 1 BrClN3C6H7 ABC3D6E7 20.05 3.1 -10.0 -1.32 0
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425530 135126634 1 N2F3O3H13C17 A2B3C3D13E17 -208.37 5.48 -9.42 -1.12 0
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425531 135126635 1 ON2C9H16 AB2C9D16 -46.64 3.34 -9.48 0.07 0
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425532 135126636 1 F3N3O5H14C18 A3B3C5D14E18 -256.83 6.9 -9.51 -1.86 0
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425533 135126638 1 SF3N4O5C32H37 AB3C4D5E32F37 -286.1 2.41 -8.57 -0.71 0
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425534 135126643 1 BrN3O3H26C29 AB3C3D26E29 9.01 3.73 -8.49 -0.93 0
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425535 135126646 1 O3N6C35H44 A3B6C35D44 -36.74 8.01 -8.98 -0.51 0
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425536 135126652 1 O2N3C9H9 A2B3C9D9 -15.4 3.39 -9.68 -1.38 0