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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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140413 52693816 1 F2O2N3C27H33 A2B2C3D27E33 -152.69 4.47 -9.06 -0.16 0
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140414 52693817 1 F2O2N3C27H33 A2B2C3D27E33 -147.37 3.55 -9.19 -0.34 0
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140415 52693969 1 FSN3O3H14C19 ABC3D3E14F19 -4.34 8.12 -8.9 -1.98 0
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140416 52694097 1 FSN2O4C16H19 ABC2D4E16F19 -118.05 4.57 -8.82 -1.67 0
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140417 52694174 1 N3O3C20H21 A3B3C20D21 -37.34 4.5 -8.41 -0.46 0
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140418 52694569 1 N3O3C16H21 A3B3C16D21 -128.79 7.54 -8.98 -0.36 0
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140419 52694570 1 N3O3C16H21 A3B3C16D21 -128.43 7.93 -8.97 -0.32 0
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140420 52694884 1 SN3O3C20H25 AB3C3D20E25 -93.25 3.73 -8.61 -0.58 0
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140421 52694885 1 SN2O5C23H26 AB2C5D23E26 -126.4 6.26 -8.6 -0.62 0
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140422 52694964 1 SN2O3C20H22 AB2C3D20E22 -39.41 3.51 -8.87 -0.6 0
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140423 52694965 1 SN2O2C20H22 AB2C2D20E22 1.7 1.94 -9.03 -0.67 0
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140424 52694966 1 SN2O2C20H22 AB2C2D20E22 -0.87 2.98 -8.85 -0.42 0
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140425 52694967 1 SN3O4H21C23 AB3C4D21E23 -26.88 6.4 -9.2 -1.12 0
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140426 52695081 1 N2O5C27H28 A2B5C27D28 -138.03 6.09 -8.66 -0.12 0
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140427 52695143 1 ClOSN3C20H20 ABCD3E20F20 10.53 3.41 -8.76 -0.67 0
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140428 52695564 1 N2O2C17H30 A2B2C17D30 -141.48 4.95 -9.26 0.89 0
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140429 52695832 1 NSO2C18H21 ABC2D18E21 -61.34 4.51 -8.3 -0.3 0
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140430 52695833 1 SCl2N2O2H18C20 AB2C2D2E18F20 -22.86 7.06 -8.69 -0.56 0
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140431 52695885 1 BrON5C20H20 ABC5D20E20 61.35 2.13 -7.74 -1.09 0
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140432 52695948 1 N2O3H26C27 A2B3C26D27 -26.47 2.53 -8.41 -0.25 0
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140433 52696636 1 SN3O3C21H23 AB3C3D21E23 -67.26 5.49 -8.85 -1.0 0
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140434 52696637 1 SN4O5C19H24 AB4C5D19E24 -85.65 5.17 -9.25 -1.03 0
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140435 52697184 1 NSO2Cl3C12H16 ABC2D3E12F16 -93.62 4.5 -9.58 -1.29 0
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140436 52697289 1 FSN3O4C19H30 ABC3D4E19F30 -197.85 4.26 -8.74 -0.3 1
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140437 52697643 1 FSN2O3C21H24 ABC2D3E21F24 -93.85 5.03 0.0 0.0 1
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140438 52697765 1 ClFSN3O4C17H20 ABCD3E4F17G20 -95.86 11.01 0.0 0.0 0
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140439 52697823 1 BrFN2O2S2C17H22 ABC2D2E2F17G22 -70.04 4.39 -8.75 -1.03 0
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140440 52697824 1 BrNO2H16C17 ABC2D16E17 -35.32 3.99 -8.56 -0.42 0
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140441 52698004 1 ClSN2O4C23H27 ABC2D4E23F27 -138.07 3.71 -8.98 -0.65 1
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140442 52698020 1 SN2O2C18H29 AB2C2D18E29 -45.74 5.01 0.0 0.0 0
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140443 52698227 1 BrN2O4C21H23 AB2C4D21E23 -125.01 3.82 -8.39 -0.64 0
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140444 52698504 2 NO2C14H19 AB2C14D19 -188.96 6.9 -8.77 0.25 0
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140445 52698581 2 NOC10H16 ABC10D16 -98.1 3.34 -8.8 -0.03 1
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140446 52698596 1 SN3O3C22H36 AB3C3D22E36 -107.04 2.71 0.0 0.0 0
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140447 52698838 1 SF3N3O3H20C22 AB3C3D3E20F22 -210.8 2.7 -8.2 -1.23 0
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140448 52698875 1 SN4O5C21H22 AB4C5D21E22 -131.58 5.0 -8.52 -0.96 0
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140449 52698876 1 ClSN3O4C23H24 ABC3D4E23F24 -95.46 0.86 -8.74 -1.2 0
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140450 52698877 1 SN3O4C23H25 AB3C4D23E25 -85.98 4.48 -8.75 -1.01 -1
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140451 52699685 1 SCl2N3O3H16C19 AB2C3D3E16F19 -13.7 7.3 0.0 0.0 0
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140452 52699800 1 O2N4C29H32 A2B4C29D32 -10.97 6.09 -8.74 -0.92 0
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140453 52699879 1 SN3O4C24H31 AB3C4D24E31 -140.31 5.0 -9.09 -1.14 0
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140454 52700382 1 BrNSO4H14C15 ABCD4E14F15 -114.38 3.28 -8.85 -0.94 0
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140455 52700438 1 SO2N4C21H22 AB2C4D21E22 10.19 4.58 -8.51 -0.78 0
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140456 52700822 1 ClN2O5C23H27 AB2C5D23E27 -176.39 5.25 -8.29 -0.61 0
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140457 52700859 1 NCl3O3C18H18 AB3C3D18E18 -113.91 2.94 -8.46 -0.7 0
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140458 52701048 1 FOCl2N2H15C16 ABC2D2E15F16 -58.94 5.39 -9.6 -0.8 0
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140459 52702117 1 OF2N6H12C15 AB2C6D12E15 10.44 7.83 -10.26 -0.95 0
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140460 52702419 1 N3O6H23C25 A3B6C23D25 -114.8 9.38 -9.08 -1.76 0
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140461 52702490 1 O3N4C26H28 A3B4C26D28 -76.59 6.32 -8.57 -0.33 0
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140462 52702491 1 SN2O2C25H26 AB2C2D25E26 -33.43 3.95 -8.65 -0.67 0
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140463 52702492 1 SN2O2H22C27 AB2C2D22E27 5.12 8.43 -8.61 -1.18 0
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140464 52702870 1 SCl2N2O3C19H20 AB2C2D3E19F20 -79.08 7.0 -9.54 -1.14 0
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140465 52702871 1 SCl2N2O3C19H20 AB2C2D3E19F20 -79.58 7.89 -9.44 -1.28 0
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140466 52702921 1 SN2O4C25H28 AB2C4D25E28 -101.6 5.19 -9.07 -0.78 0
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140467 52702922 1 SN2O4C25H28 AB2C4D25E28 -102.22 4.61 -8.8 -0.73 0
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140468 52702923 1 SN2O4C25H28 AB2C4D25E28 -101.56 6.09 -8.94 -0.62 0
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140469 52703618 1 ClFO2N3C22H25 ABC2D3E22F25 -113.36 9.85 -8.76 -0.25 0
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140470 52703619 1 ClFO2N3C22H25 ABC2D3E22F25 -113.72 7.19 -8.71 -0.53 0
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140471 52703990 1 N3O4C20H31 A3B4C20D31 -189.09 4.77 -8.13 0.06 0
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140472 52704801 1 ClO3N4C24H31 AB3C4D24E31 -119.65 8.14 -9.21 -0.62 0
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140473 52704802 1 ClO2N3C25H26 AB2C3D25E26 -40.13 1.97 -8.88 -0.63 0
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140474 52704803 1 ClF3N3O3C20H21 AB3C3D3E20F21 -267.79 4.54 -9.43 -0.86 0
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140475 52704804 1 ClO3N4C23H29 AB3C4D23E29 -111.75 5.7 -8.97 -0.5 0
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140476 52705583 1 FOSN6C22H25 ABCD6E22F25 37.96 5.53 -8.64 -1.0 0
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140477 52705584 1 FSO2N6H19C21 ABC2D6E19F21 83.59 4.95 -8.76 -1.5 0
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140478 52705585 1 FSO3N5C22H22 ABC3D5E22F22 -33.29 5.13 -8.66 -1.01 0
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140479 52705835 1 N3O3C25H41 A3B3C25D41 -143.66 5.72 -8.51 0.11 0
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140480 52706344 1 FS2N3O3H16C21 AB2C3D3E16F21 -66.61 6.18 -8.95 -1.5 0
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140481 52706501 1 ClNO4C21H24 ABC4D21E24 -119.84 4.02 -8.61 -0.39 0
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140482 52706682 1 ClN3O3H20C21 AB3C3D20E21 -38.58 0.77 -8.74 -1.09 0
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140483 52707311 1 SCl2N2O3C19H22 AB2C2D3E19F22 -103.17 9.88 -9.55 -1.2 0
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140484 52707312 1 ClNSF2O3C18H18 ABCD2E3F18G18 -191.62 5.05 -9.66 -1.27 0
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140485 52707313 1 ClSN2O4C21H27 ABC2D4E21F27 -153.38 2.8 -9.32 -0.36 0
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140486 52707822 1 O2N6C15H20 A2B6C15D20 17.61 3.39 -8.84 -0.91 0
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140487 52708010 1 BrON2S2H15C16 ABC2D2E15F16 16.93 4.04 -8.96 -1.13 0
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140488 52708075 1 SN3O3C19H33 AB3C3D19E33 -140.97 5.24 -8.61 -0.45 0
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140489 52708268 1 FSO3N4C24H27 ABC3D4E24F27 -28.1 5.84 -8.46 -0.35 0
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140490 52708392 1 O3N7C24H27 A3B7C24D27 -14.49 6.31 -9.41 -1.01 0
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140491 52709473 1 N2S2O3H20C21 A2B2C3D20E21 -25.63 6.62 -8.94 -1.05 0
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140492 52709501 1 OSN6H22C24 ABC6D22E24 134.09 7.84 -8.7 -1.1 1
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140493 52709661 1 FON2C22H28 ABC2D22E28 -30.56 4.19 0.0 0.0 1
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140494 52709917 1 N2O3C23H31 A2B3C23D31 -75.5 8.41 0.0 0.0 0
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140495 52710005 1 SN3O3C24H25 AB3C3D24E25 -59.12 6.21 -8.6 -0.56 0
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140496 52710006 1 BrON5C19H20 ABC5D19E20 37.6 4.78 -8.9 -0.78 0
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140497 52710007 1 BrO3N4C20H21 AB3C4D20E21 -90.33 6.2 -8.97 -0.84 0
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140498 52710057 1 N3O3C25H29 A3B3C25D29 -55.64 1.93 -9.0 -0.2 0
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140499 52710423 1 FSN2O3H23C24 ABC2D3E23F24 -72.33 4.98 -8.78 -0.48 0
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140500 52710459 1 Cl2N2O3C20H20 A2B2C3D20E20 -78.2 4.25 -8.82 -0.56 0
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140501 52710460 1 N2O3C26H26 A2B3C26D26 -28.98 3.54 -8.74 -0.06 0
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140502 52710461 1 N2O3C26H26 A2B3C26D26 -30.31 3.95 -8.82 -0.12 1
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140503 52710480 1 ClN3O3C25H31 AB3C3D25E31 -64.27 4.3 0.0 0.0 0
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140504 52711260 1 OSN2F3C20H21 ABC2D3E20F21 -159.19 4.92 -9.01 -1.31 0
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140505 52711282 1 O3N5C27H33 A3B5C27D33 -77.77 4.4 -8.89 -1.37 0
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140506 52711306 1 O2N3C23H27 A2B3C23D27 -28.65 3.09 -8.74 -0.85 0
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140507 52711874 1 N2O4C21H26 A2B4C21D26 -124.82 2.8 -8.71 -0.02 0
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140508 52712249 1 FSN2O3C24H25 ABC2D3E24F25 -115.95 5.56 -9.21 -1.16 0
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140509 52712445 1 ClSO4C15H19 ABC4D15E19 -159.0 1.58 -8.84 -0.51 0
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140510 52712469 1 NSO2C18H29 ABC2D18E29 -105.71 5.2 -8.8 0.18 0
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140511 52712598 1 NO3C18H27 AB3C18D27 -109.99 3.5 -9.28 0.21 0
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140512 52712599 1 NOSC18H27 ABCD18E27 -42.5 3.72 -8.93 0.24 0