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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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234423 92298407 1 ClNO2C15H20 ABC2D15E20 -85.89 3.5 -9.12 -0.27 0
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234424 92298408 1 NO3C16H23 AB3C16D23 -113.78 3.72 -8.65 0.0 0
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234425 92298411 1 NSO2F3C14H18 ABC2D3E14F18 -231.55 5.69 -9.54 -1.08 0
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234426 92298412 4 OC5H6 AB5C6 -132.23 3.46 -9.5 0.05 0
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234427 92298414 1 NO2C11H17 AB2C11D17 -93.13 7.16 -9.71 0.83 0
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234428 92298415 2 O2C3H6 A2B3C6 -197.06 3.84 -10.17 1.31 0
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234429 92298416 1 IO3C5H7 AB3C5D7 -113.81 5.22 -10.64 -1.9 0
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234430 92298421 1 IO3C5H7 AB3C5D7 -116.69 3.1 -10.42 -1.73 1
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234431 92298423 1 SN4O4C15H19 AB4C4D15E19 -79.59 7.66 0.0 0.0 0
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234432 92298424 1 N2O3C19H20 A2B3C19D20 -85.41 3.57 -8.64 -0.09 0
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234436 92298435 1 Cl2O2N3H11C13 A2B2C3D11E13 -5.55 3.67 -9.17 -0.64 0
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234437 92298436 2 ClNO2H8C9 ABC2D8E9 -89.52 3.22 -8.82 -0.82 0
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234438 92298437 1 SN2O2H22C23 AB2C2D22E23 25.7 5.42 -8.94 -0.53 0
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234439 92298439 1 SO2N3C21H25 AB2C3D21E25 -68.51 5.71 -8.82 -0.51 0
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234440 92298440 1 ClOSH13C15 ABCD13E15 1.27 0.7 -8.87 -0.89 0
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234441 92298442 1 NO3C20H23 AB3C20D23 -103.01 3.89 -9.38 -0.25 0
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234442 92298443 1 N2O5C22H24 A2B5C22D24 -131.24 3.35 -8.76 -0.5 0
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234443 92298444 1 FNO2C6H12 ABC2D6E12 -153.51 3.75 -9.99 0.38 0
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234444 92298445 2 NO3C4H8 AB3C4D8 -283.77 5.0 -10.19 0.16 0
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234445 92298447 1 NO2C13H19 AB2C13D19 -78.82 3.37 -8.55 0.26 0
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234446 92298448 2 NO3C4H8 AB3C4D8 -283.07 2.91 -9.9 0.31 0
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234447 92298451 1 NO2C13H19 AB2C13D19 -79.63 1.35 -8.48 0.44 0
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234448 92298457 1 NOC21H23 ABC21D23 3.63 4.11 -9.11 -0.3 0
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234449 92298458 1 NO3C15H21 AB3C15D21 -109.92 3.82 -8.48 -0.08 0
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234450 92298459 2 NO2C7H9 AB2C7D9 -78.38 6.47 -9.71 -1.33 0
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234451 92298463 1 NOSC15H21 ABCD15E21 -38.37 4.36 -8.79 -0.19 0
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234452 92298464 1 N2O2C15H30 A2B2C15D30 -125.07 2.39 -8.78 1.0 0
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234453 92298466 1 N2O4C15H20 A2B4C15D20 -85.1 7.07 -9.69 -1.3 0
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234454 92298467 1 ClNO2C15H20 ABC2D15E20 -86.08 3.49 -9.13 -0.28 0
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234455 92298468 1 NO3C16H23 AB3C16D23 -113.87 3.72 -8.62 0.02 0
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234456 92298469 1 ClSN2O2C16H19 ABC2D2E16F19 -59.29 4.92 -8.88 -0.76 0
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234457 92298471 1 NSO2F3C14H18 ABC2D3E14F18 -231.6 5.91 -9.54 -1.08 0
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234458 92298472 4 OC5H6 AB5C6 -131.03 4.76 -9.31 -0.06 0
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234459 92298474 1 ClSN3H10C11 ABC3D10E11 69.09 7.43 -8.94 -0.88 0
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234460 92298478 2 O5C6H11 A5B6C11 -458.08 3.43 -10.22 0.32 1
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234461 92298479 1 SN4O4C15H19 AB4C4D15E19 -77.89 6.84 0.0 0.0 0
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234462 92298481 1 NO4C6H13 AB4C6D13 -190.16 4.69 -9.91 1.44 0
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234463 92298482 2 O5C6H11 A5B6C11 -445.9 3.71 -10.01 0.77 0
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234464 92298488 1 O2C19H28 A2B19C28 -122.07 4.77 -9.89 0.02 0
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234465 92298493 1 NO6C19H23 AB6C19D23 -242.99 7.23 -9.27 -0.99 0
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234466 92298497 1 N2O3C20H30 A2B3C20D30 -135.24 4.59 -8.88 0.23 0
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234467 92298498 1 N2O3C20H30 A2B3C20D30 -136.1 4.98 -8.88 0.15 0
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234468 92298499 1 Cl2N2O3C20H22 A2B2C3D20E22 -106.04 9.04 -8.64 -0.2 0
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234469 92298500 1 ClN2O3C20H23 AB2C3D20E23 -94.0 7.0 -8.52 0.07 0
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234470 92298503 1 Cl2N2O3C20H22 A2B2C3D20E22 -106.8 10.71 -8.61 -0.16 0
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234471 92298504 1 ClN2O3C20H23 AB2C3D20E23 -100.49 9.5 -8.47 0.0 0
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234472 92298505 1 ClN2O3C20H23 AB2C3D20E23 -100.85 9.54 -8.66 0.02 0
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234473 92298506 1 N2O3C20H24 A2B3C20D24 -86.83 5.46 -8.71 0.12 0
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234474 92298507 1 ClF2N2O5H11C16 AB2C2D5E11F16 -190.08 7.66 -9.79 -1.61 0
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234475 92298508 1 SCl2O2N3C15H17 AB2C2D3E15F17 -41.72 4.05 -9.49 -0.9 0
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234476 92298517 1 ClF2N2O5H11C16 AB2C2D5E11F16 -186.0 8.42 -9.77 -1.6 0
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234477 92298518 1 SCl2O2N3C15H17 AB2C2D3E15F17 -41.4 4.54 -9.41 -0.94 0
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234478 92298521 1 OSN5C10H17 ABC5D10E17 15.32 6.37 -9.36 -0.76 0
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234479 92298523 1 S2Cl3N3O3C20H22 A2B3C3D3E20F22 -106.43 3.47 -9.12 -1.45 0
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234480 92298526 1 F3N3O6H8C16 A3B3C6D8E16 -232.87 3.49 -10.48 -2.58 0
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234481 92298527 1 SN2O4C19H24 AB2C4D19E24 -129.1 9.12 -9.52 -0.6 0
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234482 92298528 1 N2O2F3H11C17 A2B2C3D11E17 -151.92 3.48 -9.6 -1.45 0
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234483 92298530 1 ClSN3O3H10C16 ABC3D3E10F16 42.39 6.5 -9.34 -1.7 0
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234484 92298532 1 NSO6C12H17 ABC6D12E17 -225.65 6.35 -9.65 -0.68 0
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234485 92298533 1 ClN2S2O4H9C17 AB2C2D4E9F17 11.72 5.2 -9.55 -2.2 0
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234486 92298534 1 OSF2H12C18 ABC2D12E18 -51.51 2.12 -8.77 -1.2 0
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234487 92298540 1 ClSN3O3C26H32 ABC3D3E26F32 -107.4 3.21 -8.56 -0.95 0
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234488 92298541 1 SN3O4C32H37 AB3C4D32E37 -102.12 3.18 -8.53 -0.89 0
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234489 92298542 1 ClSN3O3C30H32 ABC3D3E30F32 -66.01 4.33 -8.58 -0.99 0
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234490 92298543 1 ClSN3O3C26H32 ABC3D3E26F32 -107.04 4.32 -8.53 -1.03 0
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234491 92298545 1 ClSN3O3C30H32 ABC3D3E30F32 -65.29 5.32 -8.51 -1.04 0
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234492 92298549 1 FNO2C11H12 ABC2D11E12 -96.65 4.56 -9.91 -0.39 0
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234493 92298550 1 FNO2C11H12 ABC2D11E12 -93.11 2.38 -9.7 -0.23 0
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234494 92298551 2 NO2C18H28 AB2C18D28 -163.49 3.33 -8.51 -0.28 0
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234495 92298553 2 NO2C19H30 AB2C19D30 -204.17 5.48 -8.81 -0.31 0
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234496 92298555 2 NO2C21H32 AB2C21D32 -179.19 5.92 -8.21 -0.36 0
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234497 92298557 2 NOC10H12 ABC10D12 -46.88 1.29 -9.07 -0.4 0
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234498 92298558 1 NSO7C13H17 ABC7D13E17 -210.67 7.24 -9.47 -1.45 0
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234499 92298560 1 NSO7C13H17 ABC7D13E17 -213.19 5.08 -9.76 -1.33 0
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234500 92298561 1 NSO7C13H17 ABC7D13E17 -209.06 7.42 -9.54 -1.21 0