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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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22505 597386 1 OSiC16H20 ABC16D20 -54.45 1.04 -9.42 0.08 0
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22506 597387 1 OPSSiC5H15 ABCDE5F15 -207.02 5.13 -8.63 -0.45 0
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22507 597388 1 SiO2C12H20 AB2C12D20 -133.75 1.49 -8.63 -0.08 0
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22508 597393 2 S2O4C10H11 A2B4C10D11 -267.49 4.06 -8.83 -1.64 0
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22509 597396 1 BrNOC12H12 ABCD12E12 -20.51 2.31 -8.62 -0.37 0
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22510 597397 1 HN5C8 AB5C8 164.78 5.21 -11.01 -2.06 0
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22511 597398 1 O3C21H28 A3B21C28 -145.13 2.18 -9.14 -0.44 0
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22512 597399 1 ClC18H19 AB18C19 73.47 2.41 -9.35 0.38 0
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22513 597401 1 SO3C27H32 AB3C27D32 -89.08 4.81 -9.24 -0.61 0
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22514 597402 2 O2C6H9 A2B6C9 -171.13 2.77 -10.49 -0.5 0
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22515 597403 1 O2N8C31H36 A2B8C31D36 17.07 0.44 -9.12 0.05 0
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22516 597404 4 H7C8 A7B8 135.42 0.02 -9.26 0.25 0
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22517 597405 1 O5H14C16 A5B14C16 -154.82 4.36 -9.54 -0.61 0
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22518 597407 1 NO3C8H9 AB3C8D9 -97.84 2.6 -10.4 -1.61 0
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22519 597408 2 O2C5H7 A2B5C7 -162.3 3.55 -8.8 -0.16 0
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22520 597410 1 SC5H5N5 AB5C5D5 115.86 5.38 -9.62 -1.78 0
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22521 597411 2 C3N3O3H4 A3B3C3D4 -56.27 5.04 -10.85 -1.73 0
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22522 597417 2 OC8H14 AB8C14 -89.27 1.87 -9.78 0.97 0
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22523 597418 1 NO2C9H13 AB2C9D13 -78.78 7.85 -8.97 0.22 0
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22524 597423 1 SC13H22 AB13C22 -27.94 0.45 -8.9 0.23 0
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22525 597425 1 O3C12H16 A3B12C16 -82.86 2.91 -8.33 0.23 0
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22526 597429 1 O5C18H20 A5B18C20 -166.04 2.64 -8.72 0.16 0
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22527 597449 1 NO3C8H9 AB3C8D9 -109.16 1.61 -9.52 -0.77 0
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22528 597528 1 SC14H14 AB14C14 40.53 1.84 -9.03 0.02 0
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22529 597529 1 OH20C21 AB20C21 28.24 1.54 -9.28 0.19 0
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22530 597530 2 NO2C10H10 AB2C10D10 -85.91 1.83 -9.48 -1.25 0
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22531 597534 1 NSH15C18 ABC15D18 81.01 1.31 -8.67 -0.31 0
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22532 597544 1 SO2N5C15H15 AB2C5D15E15 16.9 1.63 -9.09 -0.78 0
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22534 597554 1 ON6C13H18 AB6C13D18 21.46 3.72 -8.72 0.03 0
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22535 597557 1 B2O6C23H28 A2B6C23D28 -338.98 2.06 -9.4 0.0 0
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22536 597573 1 BrN3O3H5C8 AB3C3D5E8 50.6 4.92 0.0 0.0 1
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22537 597575 1 OSN2Cl3H7C11 ABC2D3E7F11 -1.1 3.5 -8.92 -0.97 0
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22538 597576 2 NOH10C11 ABC10D11 10.28 5.18 -9.06 -0.39 0
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22539 597577 2 ON3C4H6 AB3C4D6 -28.98 4.64 -9.4 -0.61 0
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22540 597587 1 N2O2C9H14 A2B2C9D14 -78.29 4.08 -8.84 -0.85 0
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22541 597607 1 NOS2H9C10 ABC2D9E10 1.27 2.77 -8.79 -0.86 0
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22542 597608 4 OC3H4 AB3C4 -186.16 3.92 -9.24 -0.55 0
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22543 597640 1 O2H14C15 A2B14C15 -42.86 2.06 -9.44 -0.59 0
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22544 597650 1 N5C13H19 A5B13C19 63.5 3.43 -8.71 -0.45 0
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22545 597652 1 OC26H32 AB26C32 -22.25 2.78 -9.1 0.09 0
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22546 597656 1 NOS2H9C13 ABC2D9E13 35.15 4.0 -8.86 -1.39 0
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22547 597660 1 SN2O4C11H12 AB2C4D11E12 -61.88 0.93 -8.49 -1.69 0
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22548 597667 1 ON7C22H23 AB7C22D23 66.87 5.87 -8.12 -0.18 0
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22549 597669 1 NOSC17H17 ABCD17E17 40.49 4.99 -8.84 -0.89 0
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22550 597674 1 O5C18H24 A5B18C24 -167.94 10.01 -9.82 -0.71 0
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22551 597712 1 NO2C11H19 AB2C11D19 -71.07 3.23 -8.69 0.22 0
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22552 597713 1 BNOC10H22 ABCD10E22 -143.79 2.84 -9.1 2.08 0
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22553 597715 1 ON3C12H23 AB3C12D23 -47.39 2.51 -9.06 0.34 0
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22554 597716 1 SN4C6H8 AB4C6D8 69.28 4.53 -9.2 -0.27 0
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22555 597727 1 NC13H27 AB13C27 -51.78 1.46 -8.7 3.12 0
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22556 597728 1 OCl2N2S2H12C17 AB2C2D2E12F17 34.39 1.63 -8.82 -1.76 0
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22557 597729 1 NOCl3C15H16 ABC3D15E16 -38.08 4.23 -9.04 -0.26 0
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22558 597730 1 ClNO2C8H8 ABC2D8E8 -5.33 4.86 -10.15 -1.4 0
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22559 597731 1 SC10H16 AB10C16 39.34 1.97 -8.55 0.56 0
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22560 597732 1 SO3C11H16 AB3C11D16 -144.34 5.24 -8.92 0.04 0
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22561 597738 2 OC8H14 AB8C14 -62.55 3.68 -6.69 -0.94 -4
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22562 597740 2 NOC4H6 ABC4D6 -19.13 5.3 -8.12 -0.59 0
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22563 597741 1 N2O5C20H26 A2B5C20D26 -150.84 3.47 -8.99 -0.32 0
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22564 597742 4 NC2H4 AB2C4 9.66 2.23 -8.34 2.11 0
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22565 597743 1 SN2C8H12 AB2C8D12 31.45 5.85 -9.47 -0.25 0
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22566 597744 3 ON2C3H4 AB2C3D4 8.29 8.46 -8.79 -1.04 0
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22567 597745 1 O4N5C9H11 A4B5C9D11 -51.87 8.85 -8.91 -1.08 0
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22568 597746 1 ClO2C12H17 AB2C12D17 -126.89 4.17 -10.52 0.81 0
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22569 597747 1 RhO2H13C14 AB2C13D14 87.27 4.32 -9.27 -3.42 -9
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22570 597748 1 ClOC10H15 ABC10D15 -81.4 0.82 -10.4 0.84 0
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22571 597749 1 O5C16H20 A5B16C20 -210.56 5.28 -9.78 0.04 0
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22572 597750 1 N4H20C25 A4B20C25 194.59 0.89 -8.92 -0.84 0
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22573 597752 1 FNO4H6C8 ABC4D6E8 -102.42 5.5 -10.88 -1.7 0
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22574 597753 1 N2O3C7H8 A2B3C7D8 -15.67 3.17 -9.94 -1.59 0
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22575 597754 1 NO3C12H21 AB3C12D21 -159.94 2.33 -8.98 0.83 0
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22576 597755 1 NCl2C16H17 AB2C16D17 17.46 4.81 -9.13 -0.06 0
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22577 597797 1 NC15H17 AB15C17 73.92 5.76 -9.51 -0.84 0
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22578 597800 1 O2N3C20H23 A2B3C20D23 -34.87 7.13 -8.69 -0.32 0
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22579 597804 1 N2F4H4C5 A2B4C4D5 -174.34 5.87 -9.97 -0.54 0
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22580 597805 1 NPO7C17H26 ABC7D17E26 -366.01 6.19 -8.64 0.02 0