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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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3342 9531 1 OF2C12H22 AB2C12D22 -185.34 2.71 -10.1 0.6 0
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3343 9532 2 ClNC2H7 ABC2D7 -84.59 7.17 -9.5 1.66 0
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3344 9533 1 NCl2C4H9 AB2C4D9 -29.39 1.82 -9.6 0.59 0
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3345 9534 1 FO2C7H13 AB2C7D13 -163.8 5.25 -11.11 0.55 0
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3346 9535 1 FO2C7H13 AB2C7D13 -165.36 1.66 -11.02 0.75 0
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3347 9536 1 FOC10H19 ABC10D19 -128.11 1.59 -10.41 0.28 0
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3348 9537 1 FNC7H12 ABC7D12 -48.67 4.4 -11.64 1.27 0
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3349 9538 1 FOC10H19 ABC10D19 -132.86 4.2 -10.16 0.71 0
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3350 9539 1 Cl3N3C7H22 A3B3C7D22 -127.19 4.53 -9.64 1.83 0
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3351 9541 1 FC10H21 AB10C21 -100.32 2.0 -11.0 3.16 0
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3352 9543 1 BrFC10H20 ABC10D20 -97.57 0.46 -10.44 0.0 0
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3353 9546 1 FOC10H21 ABC10D21 -141.3 3.21 -10.42 2.7 0
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3354 9547 1 FOC10H19 ABC10D19 -139.69 3.87 -11.19 0.19 0
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3355 9548 1 FC12H25 AB12C25 -109.07 1.7 -10.75 3.29 0
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3356 9549 1 FSC12H23 ABC12D23 -45.08 2.21 -8.2 0.27 0
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3357 9551 1 CNO2F3 ABC2D3 -151.64 1.06 -12.09 -1.72 0
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3358 9553 1 C7F16 A7B16 -798.46 0.58 -13.77 -0.77 0
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3359 9556 1 NOH6F7C10 ABC6D7E10 -366.21 4.15 -9.51 -0.79 0
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3360 9558 1 BNF4C12H28 ABC4D12E28 -400.79 18.3 -11.46 -0.56 0
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3361 9559 1 NC12H28 AB12C28 -16.94 0.02 0.0 0.0 1
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3362 9561 1 Cl2C3F3H3 A2B3C3D3 -187.94 1.21 -11.24 -0.42 0
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3363 9563 1 FO6C23H29 AB6C23D29 -302.63 6.68 -9.67 -0.39 0
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3364 9564 1 SN3O3C11H17 AB3C3D11E17 -124.86 8.48 -9.39 -0.55 0
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3365 9565 1 SN3O4C13H15 AB3C4D13E15 -82.68 5.86 -9.08 -0.68 0
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3366 9566 1 FOC4Cl4H5 ABC4D4E5 -123.68 2.23 -11.19 -0.78 0
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3367 9567 1 ClON2H11C15 ABC2D11E15 12.32 2.69 -9.16 -0.7 0
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3368 9570 1 SN4O4C11H14 AB4C4D11E14 -107.34 1.23 -8.94 -1.2 0
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3369 9571 1 Cl2N2O2C13H18 A2B2C2D13E18 -85.39 5.75 -9.14 -0.32 0
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3370 9572 1 ClON2C13H13 ABC2D13E13 -12.96 8.27 -8.47 -1.39 0
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3371 9573 1 FNO2H12C13 ABC2D12E13 -99.1 1.41 -8.7 -0.67 0
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3372 9574 1 F3N3H12C14 A3B3C12D14 -42.75 4.22 -8.27 -1.18 0
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3373 9575 1 FNOH12C15 ABCD12E15 -53.31 4.97 -8.47 -0.48 0
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3374 9576 1 FN2C11H13 AB2C11D13 -8.85 2.22 -8.52 -0.23 0
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3375 9577 1 FN2O2C11H11 AB2C2D11E11 -99.41 4.48 -9.1 -0.74 0
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3376 9579 1 ClF5C6 AB5C6 -203.54 0.41 -10.39 -1.52 0
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3377 9580 1 ClFH6C7 ABC6D7 -37.39 2.57 -9.89 -0.47 0
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3378 9582 1 OF2H8C13 AB2C8D13 -78.07 1.88 -10.22 -1.03 0
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3379 9583 1 ClFH4C6 ABC4D6 -32.59 2.56 -9.68 -0.43 0
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3380 9585 1 BrFNOC10H15 ABCDE10F15 -94.58 5.56 -9.37 0.0 0
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3381 9587 1 F2N3H13C14 A2B3C13D14 2.4 4.46 -8.29 -1.18 0
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3382 9588 1 ClFSO2H4C6 ABCD2E4F6 -107.98 4.88 -11.07 -1.45 0
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3383 9593 1 BrFNOH7C8 ABCDE7F8 -64.96 3.28 -9.15 -0.53 0
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3384 9595 1 NOF3H8C9 ABC3D8E9 -190.85 3.59 -9.35 -0.56 0
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3385 9597 1 F2N3H13C14 A2B3C13D14 1.14 4.82 -8.24 -1.09 0
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3386 9598 1 F2N3H13C14 A2B3C13D14 2.73 7.08 -8.39 -0.96 0
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3387 9599 1 ClFNO3C14H21 ABCD3E14F21 -186.04 5.14 -8.54 -0.2 0
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3388 9601 1 FNOC8H8 ABCD8E8 -75.23 4.69 -8.96 -0.19 0
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3389 9602 1 ClFH6C7 ABC6D7 -38.53 1.96 -9.79 -0.42 0
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3390 9604 1 ClFH4C6 ABC4D6 -33.69 0.1 -9.67 -0.47 0
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3391 9605 1 FIH4C6 ABC4D6 -7.72 0.19 -9.54 -1.06 0
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3392 9606 1 FC7H7 AB7C7 -34.92 2.18 -9.56 0.09 0
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3393 9607 1 FO3C14H25 AB3C14D25 -228.64 4.88 -10.47 0.31 0
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3394 9608 1 O2F3C6H7 A2B3C6D7 -238.31 3.12 -10.96 -0.56 0
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3395 9609 1 SC4H10 AB4C10 -19.15 2.15 -8.5 0.89 0
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3396 9610 1 N2O4C7H10 A2B4C7D10 -133.7 3.29 -9.62 -1.48 0
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3397 9611 1 FO2C12H23 AB2C12D23 -189.02 2.81 -10.81 0.86 0
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3398 9612 1 FC7H11 AB7C11 -19.25 1.56 -10.68 1.75 0
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3399 9613 1 FNOC5H8 ABCD5E8 -83.31 1.63 -10.46 0.28 0
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3400 9614 1 FNC7H16 ABC7D16 -78.87 2.83 -9.42 3.08 0
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3401 9615 1 FOC7H15 ABC7D15 -116.32 2.6 -9.68 2.22 0
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3402 9616 1 FO2C8H15 AB2C8D15 -168.22 3.64 -11.11 0.57 0
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3403 9617 1 BrFC12H24 ABC12D24 -105.24 3.58 -10.38 0.05 0
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3404 9618 2 FC6H12 AB6C12 -155.21 2.62 -10.9 3.11 0
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3405 9619 1 FOC12H25 ABC12D25 -145.1 2.57 -10.16 2.79 0
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3406 9620 1 FC2H5 AB2C5 -61.94 1.82 -12.17 3.25 0
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3407 9621 1 BOC2F3H6 ABC2D3E6 -316.0 1.8 -9.8 0.81 0
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3408 9622 1 CClFO ABCD -95.18 1.09 -12.29 -1.08 0
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3409 9624 1 BrCFCl2 ABCD2 -51.09 0.42 -11.4 -2.06 0
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3410 9625 1 BrCClF2 ABCD2 -100.62 0.63 -11.49 -2.14 0
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3411 9626 1 FC4H9 AB4C9 -81.18 2.08 -11.95 3.43 0
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3412 9627 1 SiC2F2H6 AB2C2D6 -216.76 2.53 -10.56 1.06 0
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3413 9628 1 BrClHC2F3 ABCD2E3 -155.38 1.67 -11.51 -1.82 0
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3414 9629 1 FOC2Cl3 ABC2D3 -103.34 1.32 -11.59 -1.46 0
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3415 9631 1 HC2Cl2F3 AB2C2D3 -175.32 1.57 -11.57 -1.0 0
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3416 9632 1 ClHC2F4 ABC2D4 -216.38 1.63 -11.98 -0.84 0
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3417 9633 1 HC2F5 AB2C5 -261.48 1.77 -13.81 0.52 0
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3418 9634 1 ClBr2C2F3 AB2C2D3 -138.77 0.31 -11.4 -2.33 0
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3419 9635 1 C2Cl3F3 A2B3C3 -180.45 0.87 -11.65 -1.11 0
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3420 9636 1 IC2F5 AB2C5 -239.46 1.39 -11.02 -2.71 0
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3421 9638 2 C2F5 A2B5 -508.7 0.41 -13.98 -0.6 0
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3422 9639 2 C3F7 A3B7 -702.29 0.43 -13.8 -0.75 0
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3423 9640 6 CF2 AB2 -588.39 0.0 -13.64 -0.6 0
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3424 9641 1 OH4C5F8 AB4C5D8 -448.93 2.29 -11.51 0.2 0
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3425 9642 1 F2O7C26H32 A2B7C26D32 -400.89 7.51 -10.09 -0.77 0
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3426 9644 1 O2H5C6F7 A2B5C6D7 -441.82 3.35 -11.78 -0.55 0
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3428 9647 1 FO3C19H25 AB3C19D25 -143.96 3.54 -8.83 -0.38 0
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3429 9648 1 N2O2C25H32 A2B2C25D32 -44.59 6.05 -8.26 0.07 0
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3430 9649 1 N2O4C23H26 A2B4C23D26 -110.36 4.68 -7.95 0.13 0
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3431 9650 1 N2O3C14H16 A2B3C14D16 -115.98 1.78 -9.72 -0.56 0
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3432 9651 1 NO3C17H21 AB3C17D21 -81.72 3.63 -8.2 0.21 0
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3433 9652 1 INOSC16H22 ABCDE16F22 7.29 15.79 -7.14 -0.97 0
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3434 9653 1 NOSC16H22 ABCD16E22 27.85 1.61 0.0 0.0 1
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3435 9654 1 ClINOC16H25 ABCDE16F25 -59.78 9.87 -7.53 -0.64 0
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3436 9655 1 ClNOC16H25 ABCD16E25 -26.67 2.15 0.0 0.0 1
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3437 9656 1 INO2C16H26 ABC2D16E26 -62.75 10.19 -7.24 -0.12 0
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3438 9657 1 NO2C16H26 AB2C16D26 -38.15 3.09 0.0 0.0 1
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3439 9658 1 OC4F10 AB4C10 -562.3 0.36 -13.38 -1.46 0
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3440 9659 1 OF4C6H10 AB4C6D10 -270.36 4.28 -11.23 0.52 0
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3441 9660 1 FSiC6H15 ABC6D15 -139.85 2.09 -9.56 1.11 0
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3442 9661 1 NO2C10H15 AB2C10D15 -65.26 2.3 -10.5 0.84 0