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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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311519 126592993 1 BrFSN4O4C13H16 ABCD4E4F13G16 -116.47 4.81 -9.37 -0.87 0
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311520 126592997 1 BrFSO3N4C15H18 ABCD3E4F15G18 -112.24 3.48 -9.29 -0.69 0
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311521 126593074 1 BrFO4N7C32H37 ABC4D7E32F37 -113.32 5.68 -8.49 -0.7 0
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311522 126593087 1 BrFSO2N5C18H19 ABCD2E5F18G19 -46.42 4.98 -9.0 -0.87 0
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311523 126593471 4 NC4H7 AB4C7 44.94 3.75 -8.06 0.43 0
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311524 126593536 1 BrFO2N5C19H19 ABC2D5E19F19 -46.79 2.89 -9.35 -0.68 0
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311525 126593560 1 ON3H9C11 AB3C9D11 45.89 4.59 -8.74 -0.55 0
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311526 126593575 3 ON2C5H10 AB2C5D10 -62.88 2.04 -9.41 -0.88 0
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311527 126593576 1 ON2C5H12 AB2C5D12 -66.19 4.43 -9.63 1.11 0
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311528 126593577 1 O2N3C5H11 A2B3C5D11 -99.91 3.7 -9.67 0.59 0
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311529 126593578 1 BrFN4O4C19H24 ABC4D4E19F24 -145.5 0.46 -9.5 -1.08 0
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311530 126593579 1 BrFO3N5C19H19 ABC3D5E19F19 -48.02 4.46 -9.41 -1.14 0
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311531 126593580 1 BrFSO2N4C13H16 ABCD2E4F13G16 -18.18 3.17 -8.74 -1.11 0
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311532 126593581 1 BrFSO3N4C14H18 ABCD3E4F14G18 -67.79 5.75 -8.17 -1.05 0
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311533 126593590 1 BrF2O4N6C21H23 AB2C4D6E21F23 -166.82 8.04 -8.94 -0.84 0
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311534 126593607 1 BrFSN4O5C22H24 ABCD4E5F22G24 -148.91 6.79 -9.56 -1.06 0
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311535 126593608 1 BrFSN4O4H16C17 ABCD4E4F16G17 -94.18 7.24 -9.34 -1.39 0
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311536 126593610 1 BrFN4O4C22H24 ABC4D4E22F24 -109.71 5.53 -9.09 -1.13 0
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311537 126593611 1 BrFISO3N4H15C17 ABCDE3F4G15H17 -71.24 10.28 -9.19 -2.42 0
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311538 126593625 1 N2C19H40 A2B19C40 -66.86 2.5 -8.46 2.93 0
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311539 126593627 1 NSC9H19 ABC9D19 -31.3 2.76 -8.94 0.48 0
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311540 126593633 1 N11O13C62H113 A11B13C62D113 -718.08 5.92 -9.37 0.12 0
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311541 126593634 1 N9O10C47H87 A9B10C47D87 -559.63 3.56 -9.22 0.27 0
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311542 126593636 2 O2C9H12 A2B9C12 -186.74 4.12 -8.88 0.04 0
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311543 126593638 1 N11O11C48H85 A11B11C48D85 -555.47 6.45 -9.46 -0.3 0
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311544 126593639 1 NC21H43 AB21C43 -90.4 1.46 -8.64 3.02 0
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311545 126593750 1 NO4C18H31 AB4C18D31 -183.52 2.45 -8.92 0.24 0
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311546 126593786 1 ON2H16C20 AB2C16D20 57.44 3.27 -9.21 -0.87 0
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311547 126593787 1 N3H19C21 A3B19C21 99.58 2.9 -9.11 -0.77 0
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311548 126593788 1 FO4N5C18H18 AB4C5D18E18 -112.24 5.3 -9.31 -0.82 0
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311549 126593790 1 N3C13H19 A3B13C19 34.93 4.33 -8.94 -0.29 0
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311550 126593793 1 N3C11H13 A3B11C13 48.21 5.17 -9.25 -0.48 0
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311551 126593795 1 FO3N4H19C24 AB3C4D19E24 -60.99 5.12 -9.57 -1.56 0
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311552 126593796 1 FO2N3H18C23 AB2C3D18E23 -30.83 7.26 -9.33 -1.39 0
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311553 126593797 1 FN3O3C30H32 AB3C3D30E32 -114.59 6.53 -8.9 -0.8 0
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311554 126593798 1 ON3C8H17 AB3C8D17 -49.09 4.06 -8.37 0.38 0
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311555 126593799 1 FN3O3C29H32 AB3C3D29E32 -134.26 2.92 -9.14 -1.01 0
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311556 126593803 1 ON3C24H25 AB3C24D25 20.61 1.03 -9.18 -1.03 0
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311557 126593807 1 FON6C25H25 ABC6D25E25 22.38 2.2 -9.44 -1.39 0
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311558 126593811 1 O2N5C23H23 A2B5C23D23 21.14 2.8 -9.47 -1.43 0
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311559 126593819 1 N4C15H28 A4B15C28 32.59 4.79 -8.6 -0.04 0
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311560 126593822 1 N4C9H14 A4B9C14 38.11 1.36 -8.47 -0.12 0
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311561 126593823 1 FON4H5C6 ABC4D5E6 -27.57 9.56 -9.26 -0.3 0
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311562 126593824 1 FON5C7H12 ABC5D7E12 -54.13 3.4 -8.57 0.05 0
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311563 126593828 1 ON4C8H14 AB4C8D14 -18.74 5.53 -8.28 0.1 0
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311564 126593832 3 O2N3H11C19 A2B3C11D19 176.46 0.9 -8.66 -1.2 1
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311565 126593833 1 ClPH25C34 ABC25D34 155.0 9.9 0.0 0.0 0
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311566 126593835 1 SN10O10C58H104 AB10C10D58E104 -526.99 6.97 -8.21 -0.02 0
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311567 126593836 1 N4O4C21H40 A4B4C21D40 -234.38 0.65 -9.31 0.53 0
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311568 126593840 1 O5F6N9H29C58 A5B6C9D29E58 -36.02 2.63 -8.65 -1.57 0