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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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57481 22396023 1 N2S2O8C25H32 A2B2C8D25E32 -314.9 3.66 -8.62 -1.34 0
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57482 22396024 1 SF4N4O6H28C29 AB4C4D6E28F29 -401.55 10.91 -8.78 -1.56 0
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57483 22396026 1 SN2O5C20H22 AB2C5D20E22 -161.98 5.25 -9.76 -0.87 0
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57484 22396028 1 SCl2N3O7H19C20 AB2C3D7E19F20 -172.44 4.2 -9.98 -1.89 0
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57485 22396031 1 ICl2N2S2O6H17C19 AB2C2D2E6F17G19 -202.99 5.41 -9.46 -1.48 0
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57486 22396032 1 SF2N2O5C21H22 AB2C2D5E21F22 -263.62 8.23 -9.52 -0.81 0
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57487 22396033 1 SCl2N2O7C23H26 AB2C2D7E23F26 -246.04 5.32 -9.4 -1.43 0
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57488 22396035 1 FCl2N2S2O5H17C18 AB2C2D2E5F17G18 -213.13 2.93 -9.69 -1.72 0
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57489 22396036 1 SN4O6H30C31 AB4C6D30E31 -169.94 8.48 -8.81 -0.99 0
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57490 22396037 1 ClFN2S2O5H18C19 ABC2D2E5F18G19 -212.51 7.31 -9.44 -1.35 0
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57491 22396044 1 SCl2I2N2O6H18C20 AB2C2D2E6F18G20 -194.16 3.52 -9.16 -1.41 0
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57492 22396052 1 Cl2N2S2O5C14H16 A2B2C2D5E14F16 -200.87 7.78 -9.26 -1.39 0
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57493 22396062 1 SF3N3O6C30H30 AB3C3D6E30F30 -356.1 3.84 -8.8 -1.01 0
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57494 22396063 1 Cl2N3S3O5H15C16 A2B3C3D5E15F16 -144.04 11.92 -9.3 -2.08 0
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57495 22396068 1 SN2Cl3O5H19C20 AB2C3D5E19F20 -179.34 6.48 -9.44 -1.48 0
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57496 22396069 1 SN2F3O5C23H25 AB2C3D5E23F25 -333.92 7.23 -9.36 -1.21 0
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57497 22396078 1 SCl2N2O6C25H30 AB2C2D6E25F30 -252.35 8.09 -8.71 -1.36 0
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57498 22396103 1 SCl2N2O7C24H28 AB2C2D7E24F28 -261.12 4.7 -9.04 -1.18 0
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57499 22396104 2 NO2C9H12 AB2C9D12 -177.05 9.23 -9.81 -0.25 0
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57500 22396105 1 ClSN2O6C20H21 ABC2D6E20F21 -199.79 2.81 -9.38 -1.07 0
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57501 22396108 1 Cl2N2S2O5C16H20 A2B2C2D5E16F20 -206.24 5.73 -8.39 -1.47 0
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57502 22396109 1 SCl2N2O7C15H16 AB2C2D7E15F16 -286.26 6.42 -10.25 -1.58 0
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57503 22396111 1 O2N5C14H19 A2B5C14D19 -34.77 4.51 -9.26 -0.71 0
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57504 22396119 1 O4N5C13H17 A4B5C13D17 -89.62 2.4 -9.13 -0.57 0
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57505 22396545 2 NOC4H4 ABC4D4 -31.58 4.98 -11.02 -0.64 0
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57506 22400337 1 FN2O2C16H23 AB2C2D16E23 -133.46 2.27 -8.89 -0.08 0
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57507 22400338 1 FNO2C17H24 ABC2D17E24 -140.1 2.94 -8.94 -0.13 1
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57508 22400339 1 FNSO2C17H25 ABCD2E17F25 -133.01 8.87 0.0 0.0 0
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57509 22400346 1 BrNO2F3Cl4H7C15 ABC2D3E4F7G15 -182.46 0.6 -9.88 -1.35 0
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57510 22400347 1 ClNBr2O2F3H13C17 ABC2D2E3F13G17 -176.45 2.95 -9.47 -1.24 0
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57511 22400349 1 Cl2F3O3H15C22 A2B3C3D15E22 -194.71 5.09 -9.14 -0.97 0
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57512 22400357 1 O2Br3F4H15C19 A2B3C4D15E19 -220.28 5.43 -9.23 -0.98 0
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57513 22401398 1 ClSN3C10H12 ABC3D10E12 52.12 4.17 -9.21 -0.77 0
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57514 22401399 1 O2N6C29H32 A2B6C29D32 34.36 4.64 -9.06 -0.83 0
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57515 22401400 1 O4N6C35H40 A4B6C35D40 -59.56 4.55 -8.77 -0.65 0
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57516 22401401 2 ON3C16H19 AB3C16D19 29.59 4.83 -8.7 -0.65 0
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57517 22401402 1 O5N6H50C51 A5B6C50D51 -2.34 5.67 -8.74 -0.65 0
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57518 22401403 1 O2N6C29H32 A2B6C29D32 46.77 6.5 -8.65 -0.7 0
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57519 22401404 1 O2N6C29H32 A2B6C29D32 37.08 5.74 -9.1 -0.73 0
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57520 22401405 1 ON2H8C9 AB2C8D9 112.82 6.62 -8.85 -1.03 0
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57521 22401407 1 O5N6C36H44 A5B6C36D44 -111.41 2.6 -8.89 -0.63 0
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57522 22401409 1 O2N6C27H28 A2B6C27D28 52.06 2.91 -9.07 -0.66 0
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57523 22401592 1 NC12H17 AB12C17 -8.51 1.56 -8.19 0.7 1
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57524 22401904 1 NPC5O7H11 ABC5D7E11 -342.69 7.55 0.0 0.0 0
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57525 22402078 1 ON3C9H11 AB3C9D11 19.12 4.08 -8.9 -0.48 -1
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57526 22402302 1 O7C25H27 A7B25C27 -206.48 4.68 0.0 0.0 0
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57527 22402449 2 NO2H15C16 AB2C15D16 -66.25 4.45 -8.65 -0.13 0
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57528 22402632 1 N2O9C33H36 A2B9C33D36 -301.65 7.05 -8.59 -0.5 0
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57529 22405461 1 F3N3O3C20H22 A3B3C3D20E22 -243.65 6.84 -8.5 -0.73 0
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57530 22405464 1 F3O4N7C22H22 A3B4C7D22E22 -193.39 7.94 -9.49 -0.98 0
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57531 22405465 1 F3N4O7C24H29 A3B4C7D24E29 -429.67 5.5 -9.07 -1.07 0
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57532 22405470 1 NO6C15H17 AB6C15D17 -192.32 3.69 -9.38 -1.22 0
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57533 22405472 1 F3N5O5C24H24 A3B5C5D24E24 -284.26 6.05 -9.5 -1.33 0
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57534 22405473 1 F3N5O5H24C25 A3B5C5D24E25 -253.08 3.26 -8.62 -0.98 0
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57535 22405477 1 SiF3N3O4C33H42 AB3C3D4E33F42 -246.34 5.52 -8.53 -0.5 0
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57536 22405480 1 SN2O5C21H22 AB2C5D21E22 -142.94 3.73 -8.58 -0.9 0
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57537 22405482 1 F3N4O4C21H23 A3B4C4D21E23 -281.99 5.67 -9.0 -1.01 0
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57538 22405483 1 F3N4O7C25H25 A3B4C7D25E25 -412.44 7.26 -8.91 -0.9 0
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57539 22405484 1 F3N4O7C32H35 A3B4C7D32E35 -390.95 7.68 -8.77 -1.15 0
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57540 22405485 1 SiF3N3O5C34H44 AB3C3D5E34F44 -400.82 3.59 -8.49 -0.46 0
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57541 22405486 1 SiF3N4O7C30H45 AB3C4D7E30F45 -503.82 7.82 -8.69 -0.66 0
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57542 22405490 1 ClF3N3O5C20H21 AB3C3D5E20F21 -351.22 3.84 -9.32 -1.28 0
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57543 22405493 1 ON2H10C11 AB2C10D11 1.51 3.9 -8.32 -0.56 0
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57544 22405497 1 SF3N3O7C22H24 AB3C3D7E22F24 -403.95 6.45 -8.73 -1.03 0
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57545 22405498 1 SF3N3O7H22C25 AB3C3D7E22F25 -296.18 13.79 -10.0 -1.57 0
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57546 22405500 1 NSO5C14H15 ABC5D14E15 -167.6 10.31 -9.78 -1.46 0
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57547 22405501 1 F3N3O5C28H28 A3B3C5D28E28 -315.26 4.1 -8.9 -0.89 0
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57548 22405503 2 ON2H9C11 AB2C9D11 76.56 6.99 -9.96 -0.75 0
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57549 22405504 1 F3O4N8C21H21 A3B4C8D21E21 -190.53 1.98 -9.12 -1.03 0
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57550 22405511 1 SiF3N4O5C27H39 AB3C4D5E27F39 -379.98 2.55 -8.96 -0.98 0
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57551 22405513 1 F3N4O6H31C34 A3B4C6D31E34 -319.47 3.74 -8.98 -1.1 0
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57552 22405515 1 NO2C6H9 AB2C6D9 -76.49 3.06 -9.33 -0.01 0
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57553 22405516 1 F3N4O6C29H29 A3B4C6D29E29 -277.91 5.84 -8.93 -0.97 0
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57554 22405517 1 F3N3O3C20H22 A3B3C3D20E22 -250.74 5.99 -8.53 -0.7 0
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57555 22405518 1 F3N3O4H26C27 A3B3C4D26E27 -263.01 4.48 -8.46 -1.27 0