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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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218532 85089581 1 BrON2C27H29 ABC2D27E29 42.64 3.27 -7.97 -0.21 0
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218533 85089582 1 SF3N3O4H18C22 AB3C3D4E18F22 -243.68 8.4 -9.24 -1.73 -1
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218534 85089584 1 FSN3O6C22H23 ABC3D6E22F23 -184.03 7.66 0.0 0.0 0
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218535 85089585 1 N3O6C25H39 A3B6C25D39 -309.27 5.49 -9.46 0.28 0
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218536 85089586 1 NO6C26H55 AB6C26D55 -357.13 6.27 -9.36 1.39 0
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218537 85089588 2 O5C12H15 A5B12C15 -442.79 7.91 -9.26 -1.29 0
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218538 85089589 1 SN2O6H22C25 AB2C6D22E25 -123.18 1.23 -9.35 -1.26 0
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218539 85089592 2 N3O3C11H17 A3B3C11D17 -247.83 4.23 -9.53 -0.14 0
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218540 85089593 1 SN2O7C23H30 AB2C7D23E30 -281.84 8.93 -9.49 -1.15 0
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218541 85089595 1 N2O5C28H34 A2B5C28D34 -130.69 5.41 -9.62 -0.36 0
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218542 85089596 1 PO5C27H43 AB5C27D43 -309.56 4.06 -8.73 -0.14 0
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218543 85089598 2 NO3C13H21 AB3C13D21 -304.47 2.82 -8.25 0.09 0
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218544 85089599 1 N2O4C29H38 A2B4C29D38 -104.56 4.36 -8.46 -0.74 0
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218545 85089600 1 SiO7C25H38 AB7C25D38 -317.2 4.43 -9.04 -0.38 0
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218546 85089601 2 O3C14H23 A3B14C23 -282.25 5.47 -9.55 0.48 0
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218547 85089602 1 SSiO4C26H42 ABC4D26E42 -197.98 1.83 -8.46 0.12 2
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218549 85089606 1 SSeO4C23H28 ABC4D23E28 -125.74 7.78 -9.14 -0.48 0
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218550 85089609 1 N5O7C22H33 A5B7C22D33 -311.54 7.36 -9.69 0.01 0
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218551 85089611 1 NO6C28H33 AB6C28D33 -225.83 4.64 -8.94 -0.49 0
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218552 85089612 1 N3O7C24H37 A3B7C24D37 -300.11 6.9 -9.06 -0.49 0
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218553 85089613 1 O2N5C29H29 A2B5C29D29 26.68 6.0 -8.51 -0.66 0
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218554 85089614 1 ON7C28H33 AB7C28D33 120.42 6.77 -9.04 -0.52 0
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218555 85089615 1 S2N3O4C23H33 A2B3C4D23E33 -55.83 4.54 -8.54 -1.48 0
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218556 85089616 1 ClNF3O5C22H29 ABC3D5E22F29 -383.89 4.85 -10.05 -0.48 0
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218557 85089617 1 ClNSO6C23H26 ABCD6E23F26 -190.61 5.83 -8.95 -0.59 0
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218558 85089618 1 F2O5H26C28 A2B5C26D28 -261.57 4.74 -9.52 -0.59 0
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218559 85089619 1 SN2F3O4C23H23 AB2C3D4E23F23 -239.06 11.98 -9.44 -2.06 0
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218560 85089620 1 FSO3N4C25H25 ABC3D4E25F25 -80.91 4.66 -9.05 -1.08 0
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218561 85089621 1 ON8C27H32 AB8C27D32 149.12 10.98 -8.86 -0.89 0
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218562 85089623 1 N2O5C28H36 A2B5C28D36 -150.84 2.45 -8.97 -0.72 0
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218563 85089624 1 N6O7C20H44 A6B7C20D44 -336.17 3.92 -9.24 1.06 0
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218564 85089625 2 O2N4C11H20 A2B4C11D20 -185.92 10.65 -8.98 0.09 0
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218565 85089626 1 N4O5C25H44 A4B5C25D44 -270.02 3.23 -9.77 0.23 0
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218566 85089627 1 O4C31H44 A4B31C44 -196.91 3.83 -9.19 0.57 0
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218567 85089628 1 OSSiC31H32 ABCD31E32 33.5 2.74 -8.49 -0.19 0
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218568 85089630 1 N3O8H23C24 A3B8C23D24 -215.64 12.5 -9.26 -1.31 0
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218569 85089631 1 SF2N3O4H17C24 AB2C3D4E17F24 -145.55 6.31 -9.76 -0.97 0
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218570 85089632 1 FNSO8C22H24 ABCD8E22F24 -318.49 3.75 -9.5 -1.31 0
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218571 85089633 1 N3O7C25H27 A3B7C25D27 -208.08 6.84 -9.21 -1.17 0
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218572 85089634 1 N3O5C28H29 A3B5C28D29 -119.8 5.02 -8.36 0.04 0
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218573 85089635 1 O4N5H23C27 A4B5C23D27 89.28 10.01 -9.05 -1.81 0
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218574 85089636 1 NPO3H28C30 ABC3D28E30 -71.27 2.16 -8.04 -0.29 0
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218575 85089637 1 N5O7C22H37 A5B7C22D37 -289.76 5.71 -9.89 -0.41 0
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218576 85089638 1 N3O4H27C29 A3B4C27D29 -67.96 5.15 -9.03 -0.65 0
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218577 85089639 1 F3N3O3C25H34 A3B3C3D25E34 -304.25 4.83 -8.94 -1.05 0
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218578 85089640 1 N3O5C27H35 A3B5C27D35 -91.94 6.42 -8.22 -0.97 0
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218579 85089641 1 S2N5O5C20H27 A2B5C5D20E27 -126.04 6.78 -8.56 -0.65 0
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218580 85089642 1 SN3O6C23H35 AB3C6D23E35 -221.39 13.24 -7.97 -0.57 1
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218581 85089643 1 SN3O6C23H36 AB3C6D23E36 -246.5 8.78 0.0 0.0 0
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218582 85089644 1 NSO4C28H35 ABC4D28E35 -129.23 1.8 -9.33 0.12 0