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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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42504 8149631 1 N2S2O4C19H20 A2B2C4D19E20 -83.1 6.06 -8.69 -0.96 1
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42505 8149632 1 S2O3N4C19H23 A2B3C4D19E23 -54.43 8.19 0.0 0.0 0
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42506 8149633 1 S2O3N4C19H22 A2B3C4D19E22 -69.39 4.27 -8.73 -1.14 1
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42507 8149634 1 S2O3N4C19H23 A2B3C4D19E23 -54.64 5.78 0.0 0.0 0
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42508 8149635 1 S2O3N4C19H22 A2B3C4D19E22 -68.66 4.44 -8.74 -1.14 1
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42509 8149637 1 SO3N4C20H31 AB3C4D20E31 -118.3 5.73 0.0 0.0 0
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42510 8149638 1 SO3N4C20H30 AB3C4D20E30 -135.59 2.97 -8.73 -0.94 1
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42511 8149639 1 SO3N4C20H31 AB3C4D20E31 -117.3 6.12 0.0 0.0 0
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42512 8149643 1 FOSN4C23H27 ABCD4E23F27 -48.65 2.25 -8.46 -0.95 0
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42513 8149645 1 FOSN4C23H27 ABCD4E23F27 -47.25 1.84 -8.55 -0.97 1
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42514 8149648 1 FOSN4C23H28 ABCD4E23F28 -32.65 4.68 0.0 0.0 0
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42515 8149649 1 FOSN4C23H27 ABCD4E23F27 -47.33 2.23 -8.46 -0.97 0
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42516 8149651 1 FOSN4C23H29 ABCD4E23F29 -55.97 1.54 -8.71 -0.89 0
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42517 8149653 1 FOSN4C23H29 ABCD4E23F29 -54.84 1.5 -8.75 -0.95 1
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42518 8149654 1 O2S2N3C21H22 A2B2C3D21E22 15.44 15.86 0.0 0.0 0
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42519 8149655 1 O2S2N3C21H21 A2B2C3D21E21 -0.69 3.22 -8.44 -1.01 1
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42520 8149656 1 NCl2O3C17H20 AB2C3D17E20 -76.7 2.68 0.0 0.0 1
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42521 8149657 1 O2S2N3C21H22 A2B2C3D21E22 13.8 16.71 0.0 0.0 0
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42522 8149658 1 O2S2N3C21H21 A2B2C3D21E21 3.19 2.41 -8.68 -1.07 1
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42523 8149659 1 OSN3C23H30 ABC3D23E30 -7.74 6.33 0.0 0.0 0
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42524 8149660 1 OSN3C23H29 ABC3D23E29 -25.49 2.25 -8.62 -0.88 1
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42525 8149661 1 OSN3C23H30 ABC3D23E30 -10.43 12.87 0.0 0.0 0
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42526 8149662 1 OSN3C23H29 ABC3D23E29 -23.58 3.0 -8.55 -0.8 0
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42527 8149664 1 OSN3C23H29 ABC3D23E29 -26.67 3.27 -8.5 -0.72 1
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42528 8149665 1 OSN3C23H30 ABC3D23E30 -8.77 7.53 0.0 0.0 0
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42529 8149666 1 OSN3C23H29 ABC3D23E29 -22.07 3.03 -8.56 -0.79 1
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42530 8149667 1 OS2N3C22H24 AB2C3D22E24 45.13 14.62 0.0 0.0 1
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42531 8149669 1 OS2N3C22H24 AB2C3D22E24 45.08 13.68 0.0 0.0 0
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42532 8149670 1 OS2N3C22H23 AB2C3D22E23 32.51 1.47 -8.76 -1.18 0
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42533 8149672 1 OS2N3C22H23 AB2C3D22E23 31.72 4.73 -8.62 -1.0 1
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42534 8149673 1 OS2N3C22H24 AB2C3D22E24 41.55 14.83 0.0 0.0 1
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42535 8149675 1 ClOSN3C20H23 ABCD3E20F23 -3.3 7.51 0.0 0.0 0
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42536 8149676 1 ClOSN3C20H22 ABCD3E20F22 -16.87 2.53 -8.57 -0.83 1
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42537 8149677 1 ClOSN3C20H23 ABCD3E20F23 -2.85 5.81 0.0 0.0 0
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42538 8149678 1 ClOSN3C20H22 ABCD3E20F22 -14.1 3.15 -8.59 -0.86 1
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42539 8149679 1 ClOSN3C20H23 ABCD3E20F23 -0.8 3.89 0.0 0.0 1
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42540 8149681 1 ClOSN3C20H23 ABCD3E20F23 -2.77 6.1 0.0 0.0 0
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42541 8149682 1 ClOSN3C20H22 ABCD3E20F22 -16.91 2.19 -8.49 -0.72 1
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42542 8149683 1 ClOS2N3H17C19 ABC2D3E17F19 52.21 8.13 0.0 0.0 1
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42543 8149685 1 ClOS2N3H17C19 ABC2D3E17F19 52.16 8.18 0.0 0.0 0
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42544 8149686 1 ClOS2N3H16C19 ABC2D3E16F19 38.24 3.26 -8.68 -1.05 1
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42545 8149687 1 SN3O3C17H22 AB3C3D17E22 -64.89 8.1 0.0 0.0 0
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42546 8149689 1 ClOSN3C20H22 ABCD3E20F22 -17.0 1.62 -8.67 -0.94 1
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42547 8149690 1 ClOSN3C20H23 ABCD3E20F23 -0.18 6.14 0.0 0.0 0
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42548 8149691 1 ClOSN3C20H22 ABCD3E20F22 -15.31 3.33 -8.65 -0.93 1
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42549 8149692 1 ClOSN3C20H23 ABCD3E20F23 -3.58 4.4 0.0 0.0 0
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42550 8149693 1 ClOSN3C20H22 ABCD3E20F22 -17.81 4.01 -8.5 -0.73 1
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42551 8149694 1 ClOSN3C20H23 ABCD3E20F23 -2.34 4.43 0.0 0.0 0
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42552 8149695 1 ClOSN3C20H22 ABCD3E20F22 -16.09 1.97 -8.77 -1.08 0
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42553 8149697 1 O2N3C19H21 A2B3C19D21 -15.94 1.75 -8.94 -0.75 1