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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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391500 135005939 1 S2O5C12H14 A2B5C12D14 -165.94 3.09 -10.25 -1.21 0
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391501 135005994 1 SiO4C15H26 AB4C15D26 -229.1 1.65 -8.76 -0.18 0
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391502 135006020 1 Se2H22C25 A2B22C25 77.22 0.86 -8.04 -0.88 0
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391503 135006028 1 OLi2C8H18 AB2C8D18 -80.02 12.41 -7.82 2.87 0
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391504 135006039 1 O4C21H26 A4B21C26 -161.73 3.1 -9.34 -0.27 0
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391506 135006044 1 NO2C13H19 AB2C13D19 -60.99 4.73 -7.86 0.2 0
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391507 135006046 1 NSO2C15H19 ABC2D15E19 -41.08 5.37 -9.48 -0.42 0
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391508 135006048 1 NSO2C17H23 ABC2D17E23 -49.49 5.22 -9.42 -0.42 0
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391509 135006049 1 NSO2C17H21 ABC2D17E21 -21.03 5.55 -9.4 -0.41 0
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391510 135006050 1 NSO2C17H21 ABC2D17E21 -19.21 5.48 -9.43 -0.41 0
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391511 135006053 1 NSO3C22H25 ABC3D22E25 -59.48 6.5 -8.69 -0.41 0
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391512 135006054 1 NSO3C22H25 ABC3D22E25 -58.3 6.55 -8.68 -0.41 0
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391513 135006059 1 NSO2C18H23 ABC2D18E23 -31.26 5.37 -9.26 -0.36 0
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391514 135006147 1 N2O3C30H30 A2B3C30D30 -21.73 2.05 -9.43 -0.69 0
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391515 135006149 1 ON2C16H20 AB2C16D20 -21.75 2.74 -9.45 -0.93 0
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391516 135006150 1 ClSN2H13C17 ABC2D13E17 84.74 1.83 -8.79 -0.91 0
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391517 135006167 1 P2O7C15H32 A2B7C15D32 -459.53 1.18 -9.5 0.86 0
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391518 135006168 1 Cl2N2H10C13 A2B2C10D13 49.93 2.9 -8.99 -0.67 0
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391519 135006170 1 NO2H21C26 AB2C21D26 21.15 2.13 -8.94 -0.33 0
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391520 135006181 1 NO4H15C17 AB4C15D17 -41.01 5.47 -9.68 -1.26 0
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391522 135006189 1 SiO2C20H34 AB2C20D34 -150.14 2.68 -9.2 -0.58 0
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391523 135006190 1 PSO2H19C22 ABC2D19E22 -31.18 5.2 -8.66 -0.36 0
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391524 135006192 1 NSO5C23H33 ABC5D23E33 -204.33 5.44 -9.67 -0.54 0
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391525 135006198 1 N2C25H26 A2B25C26 85.55 2.89 -9.38 0.0 0
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391526 135006245 1 NO3H27C32 AB3C27D32 -4.71 2.21 -9.4 -0.77 0
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391527 135006273 1 SN2O3C13H18 AB2C3D13E18 -113.65 5.08 -9.52 -0.33 0
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391528 135006300 2 N3H11C13 A3B11C13 146.37 3.93 -8.32 -0.66 0
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391529 135006328 1 NO5C20H27 AB5C20D27 -140.44 3.6 -9.99 -0.73 0
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391530 135006334 1 FO3C12H13 AB3C12D13 -154.95 2.65 -9.95 -0.41 0
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391531 135006339 1 NO4C17H25 AB4C17D25 -147.93 3.46 -9.51 0.06 0
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391532 135006340 1 NO4C14H27 AB4C14D27 -207.2 2.0 -9.36 0.3 0
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391533 135006344 1 ClNO3C22H24 ABC3D22E24 -107.25 1.55 -9.55 -0.41 0
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391534 135006347 1 BrNO4C13H14 ABC4D13E14 -145.64 3.7 -10.06 -1.17 0
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391535 135006348 1 BrNO4C13H14 ABC4D13E14 -145.87 4.71 -9.97 -0.82 0
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391536 135006356 2 O2C8H9 A2B8C9 -139.21 3.39 -9.67 -0.62 0
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391537 135006357 1 O4C15H16 A4B15C16 -147.6 2.26 -9.6 -0.58 0
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391538 135006358 1 NO4C14H17 AB4C14D17 -159.8 5.38 -9.77 -0.57 0
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391539 135006373 2 SO3H17C20 AB3C17D20 -86.92 2.92 -9.51 -0.66 0
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391540 135006405 1 ClNO2C7H12 ABC2D7E12 -112.9 4.95 -10.24 0.42 0
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391541 135006406 1 GeO2C15H22 AB2C15D22 -80.23 2.28 -8.97 0.04 0
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391542 135006413 1 OSN2C14H20 ABC2D14E20 -5.82 3.79 -8.54 0.28 0
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391543 135006424 1 NO4C10H15 AB4C10D15 -126.92 4.81 -9.6 0.31 0
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391544 135006426 1 NO6C23H27 AB6C23D27 -176.41 2.5 -8.9 0.11 0
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391545 135006427 1 O2N4H12C15 A2B4C12D15 100.28 9.34 -9.71 -1.72 0
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391546 135006432 1 N4O4H10C11 A4B4C10D11 -1.49 7.51 -10.5 -1.78 0
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391548 135006437 1 SO3C19H20 AB3C19D20 -66.34 2.41 -8.84 -0.58 0
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391549 135006448 1 NSSiO4H15F18C26 ABCD4E15F18G26 -955.81 11.79 -10.58 -1.86 1
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391550 135006449 1 NOSiF15H15C25 ABCD15E15F25 -679.39 3.72 0.0 0.0 1
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391551 135006451 1 NSiO2H13F15C27 ABC2D13E15F27 -676.0 3.42 0.0 0.0 0
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391552 135006455 1 O3C14H24 A3B14C24 -146.98 1.44 -10.03 -0.24 0