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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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176551 76066026 1 SN2O5C24H34 AB2C5D24E34 -225.57 5.44 -8.73 0.16 0
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176552 76066027 1 Br2N3O5H19C21 A2B3C5D19E21 -92.8 10.25 -9.04 -1.42 0
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176553 76066028 1 SN3O7C22H31 AB3C7D22E31 -289.04 7.38 -9.87 -0.88 0
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176554 76066029 2 N3O3C9H14 A3B3C9D14 -94.36 7.66 -9.86 -1.62 0
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176555 76066030 1 N4O5C23H24 A4B5C23D24 -128.12 7.2 -9.65 -0.74 0
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176556 76066031 1 H4N4O4C7 A4B4C4D7 -41.55 2.98 -11.6 -3.42 0
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176557 76066032 1 BrClNO3C15H19 ABCD3E15F19 -143.71 2.78 -9.56 -0.9 0
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176559 76066267 1 NOCl4C15H17 ABC4D15E17 -61.96 4.81 -9.66 -0.41 0
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176560 76066381 1 SSiCl2N2O5C33H44 ABC2D2E5F33G44 -210.53 2.65 -8.41 -0.77 0
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176561 76066382 1 ClSO2N6C23H25 ABC2D6E23F25 49.8 12.26 -8.6 -1.55 0
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176562 76066383 1 OSN3C24H27 ABC3D24E27 33.35 6.03 -8.2 -0.77 0
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176563 76066384 1 SF2O6N8H20C26 AB2C6D8E20F26 -84.35 11.27 -8.44 -2.17 0
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176564 76066385 1 SN5O15C59H99 AB5C15D59E99 -817.61 9.46 -9.24 -0.46 0
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176565 76066420 2 NO2C16H16 AB2C16D16 -78.05 1.33 -8.56 -0.43 0
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176566 76066422 1 PN3O8C27H36 AB3C8D27E36 -390.34 10.07 -9.42 -2.16 0
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176567 76066430 1 ClN3O4C23H28 AB3C4D23E28 -134.19 5.42 -8.82 -0.45 0
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176568 76066467 2 FO2C3H5 AB2C3D5 -273.43 0.94 -10.69 -0.6 0
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176569 76066468 1 PN2O5C29H41 AB2C5D29E41 -284.48 3.56 -9.3 0.24 0
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176570 76066469 1 N4C13H18 A4B13C18 51.0 5.69 -8.88 -0.28 1
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176571 76067085 1 N3O3C5H6 A3B3C5D6 -42.69 5.3 0.0 0.0 0
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176572 76067625 2 FO4C17H18 AB4C17D18 -348.54 4.71 -9.04 -0.23 0
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176573 76067626 1 Si3O7C41H70 A3B7C41D70 -432.55 5.37 -8.47 0.23 0
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176574 76067627 1 SO4C21H34 AB4C21D34 -197.35 5.51 -9.08 -0.21 0
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176575 76067933 1 O5N6C23H32 A5B6C23D32 -150.7 7.14 -9.08 -0.63 0
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176576 76067934 1 N4O6C21H24 A4B6C21D24 -197.4 3.89 -9.5 -1.38 0
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176577 76067935 1 S4O5N7C18H19 A4B5C7D18E19 -31.04 4.49 -8.96 -1.19 0
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176578 76068514 1 O7C23H28 A7B23C28 -318.71 0.96 -8.73 0.06 0
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176579 76068737 1 SN2O5C26H50 AB2C5D26E50 -321.24 7.68 -8.98 -0.04 0
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176580 76069439 1 N2O3C12H20 A2B3C12D20 -131.89 2.79 -8.98 0.36 0
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176581 76069474 1 O8C27H38 A8B27C38 -356.77 6.94 -8.88 0.26 0
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176582 76069475 2 NO3C18H32 AB3C18D32 -371.09 4.3 -9.64 0.43 0
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176583 76069476 1 NO6C18H23 AB6C18D23 -259.77 5.57 -8.86 -0.4 0
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176584 76069477 2 SN2O3C11H14 AB2C3D11E14 -203.09 9.45 -9.02 -1.15 0
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176585 76069478 1 N3C14H25 A3B14C25 12.77 2.65 -8.92 0.26 0
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176586 76069479 4 N2C9H9 A2B9C9 205.65 6.93 -9.13 -0.84 0
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176587 76069480 2 N2O3C10H16 A2B3C10D16 -272.08 3.32 -9.37 -0.55 1
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176588 76069481 1 O3N4C14H19 A3B4C14D19 -65.73 1.96 0.0 0.0 0
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176589 76069584 1 N2O5C30H48 A2B5C30D48 -245.07 2.21 -8.92 0.07 0
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176590 76069604 1 FNO5C6H12 ABC5D6E12 -274.07 1.49 -10.14 -0.48 0
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176591 76069605 1 NO7C15H21 AB7C15D21 -286.74 3.12 -9.49 -0.48 0
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176592 76069784 1 N3O5C27H39 A3B5C27D39 -220.19 8.16 -8.56 0.37 0
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176593 76070028 1 O3C23H30 A3B23C30 -124.13 3.69 -8.84 -0.47 0
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176594 76070180 1 O3N4C16H24 A3B4C16D24 -60.42 7.2 -8.83 -0.46 0
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176595 76070302 1 ClNO3H14C15 ABC3D14E15 -55.5 3.43 -10.07 -2.03 0
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176596 76070366 1 S3O5N10C20H26 A3B5C10D20E26 -36.41 6.24 -9.42 -1.25 0
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176597 76070373 1 NSiO4C20H33 ABC4D20E33 -242.02 9.55 -9.35 -0.9 0
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176598 76070374 3 OC10H10 AB10C10 -70.35 1.78 -8.39 -1.08 0
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176599 76070375 1 O3C18H22 A3B18C22 -108.05 2.71 -9.14 0.29 0
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176600 76070919 1 BrFS2N4O5C23H24 ABC2D4E5F23G24 -152.11 3.08 -8.64 -1.61 0
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176601 76071459 1 ClON4H27C28 ABC4D27E28 58.96 4.49 -8.63 -0.22 0