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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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12560 140379 1 OPN2C5H13 ABC2D5E13 -76.7 3.45 -8.71 1.34 0
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12561 140406 1 ON2H10C16 AB2C10D16 87.04 0.56 -8.81 -1.5 0
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12562 140408 1 OC8H18 AB8C18 -79.02 1.78 -9.61 2.41 0
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12563 140418 1 SiH20C22 AB20C22 49.91 0.67 -8.65 -0.35 0
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12564 140429 1 PtF2 AB2 122.41 0.71 -10.58 -4.17 0
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12565 140430 1 FNS ABC 18.82 1.97 -10.11 -0.75 0
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12566 140436 1 SH2N2C6 AB2C2D6 93.16 1.91 -10.22 -1.89 0
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12567 140437 2 OC4H9 AB4C9 -112.04 2.51 -9.73 1.77 0
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12568 140438 1 NSC9H9 ABC9D9 48.73 5.17 -8.79 -0.8 0
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12569 140446 1 BNC8H16 ABC8D16 -56.65 1.78 -8.93 2.04 0
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12570 140481 1 BPH4 ABC4 46.97 1.78 -8.99 0.12 0
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12571 140485 1 BS2C3H9 AB2C3D9 -40.36 3.14 -8.49 -0.15 0
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12572 140558 1 N2C11H16 A2B11C16 25.77 2.08 -8.58 0.39 0
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12574 140677 1 NO2H11C13 AB2C11D13 22.84 4.18 -8.83 -1.19 0
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12575 140753 2 OC5H7 AB5C7 -67.01 0.45 -8.19 0.14 0
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12576 140769 2 H4C5 A4B5 98.17 0.22 -9.31 0.3 0
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12577 140786 1 PO2H23C25 AB2C23D25 -25.39 0.36 -7.81 -0.34 0
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12578 140789 2 C3H5 A3B5 24.99 0.31 -9.98 2.03 0
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12579 140790 1 SN2O2C5H6 AB2C2D5E6 -46.99 1.8 -9.56 -1.9 0
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12581 140840 1 FePO3C12H27 ABC3D12E27 -169.97 2.84 -7.86 1.62 0
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12582 140841 1 O2C7H14 A2B7C14 -90.1 2.37 -8.38 1.34 0
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12583 140850 1 OC3H4N4 AB3C4D4 37.24 4.34 -11.69 -1.43 0
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12584 140856 1 NSO2C11H13 ABC2D11E13 -23.11 4.95 -8.6 -0.23 0
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12585 140858 2 SiC5H11 AB5C11 -43.18 0.38 -8.57 1.76 0
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12586 140859 1 Si2C9H20 A2B9C20 -44.34 1.57 -9.0 1.3 0
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12588 140916 2 SC5H10 AB5C10 -41.87 2.29 -8.36 0.59 0
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12589 140932 1 SSiC10H16 ABC10D16 -18.47 2.57 -8.4 -0.04 0
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12590 141023 2 NC3H8 AB3C8 0.98 1.96 -8.68 2.33 0
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12591 141057 3 N2C5H8 A2B5C8 79.77 0.32 -8.72 0.52 0
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12592 141267 4 C2H3 A2B3 -0.73 1.26 -8.25 0.88 0
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12593 141275 1 Si2C15H24 A2B15C24 -40.71 2.11 -8.25 0.25 0
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12594 141317 1 NO3C14H17 AB3C14D17 -121.25 6.93 -10.25 -0.71 0
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12595 141408 1 C27H46 A27B46 -18.77 1.6 -8.05 0.78 0
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12596 141411 1 C15H22 A15B22 95.26 2.11 -8.14 3.52 0
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12597 141413 2 OC4H6 AB4C6 -84.02 3.13 -8.81 0.57 0
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12598 141439 1 C2O3H5N5 A2B3C5D5 -28.02 8.06 -10.66 -0.81 0
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12599 141465 1 BN2C5H13 AB2C5D13 -47.59 1.15 -8.16 1.92 0
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12600 141487 10 C2H3 A2B3 -52.57 0.11 -9.69 3.92 0
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12601 141488 2 H11C12 A11B12 62.21 0.84 -8.68 -0.33 0
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12602 141511 1 Cl2C5H8 A2B5C8 -24.59 0.86 -10.09 -0.18 0
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12603 141528 2 OC4H8 AB4C8 -102.91 1.98 -9.61 1.84 0
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12604 141543 1 OC16H18 AB16C18 -13.79 1.95 -9.29 0.13 0
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12605 141644 1 OC2H3 AB2C3 22.86 1.62 0.0 0.0 0
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12606 141645 1 IC8H9 AB8C9 22.17 2.07 -9.25 -0.68 0
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12607 141676 1 PSO3C11H15 ABC3D11E15 -191.15 5.78 -9.36 -0.03 0
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12608 141691 1 OC4H4 AB4C4 7.55 3.23 -10.38 -0.33 0
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12609 141701 2 OC5H7 AB5C7 -67.33 2.37 -10.52 0.83 0
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12610 141787 1 C11H18 A11B18 35.31 1.51 -9.43 1.41 0
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12611 141788 1 C7H10 A7B10 55.9 0.04 -10.69 2.22 0
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12612 141790 1 O2C11H14 A2B11C14 -87.96 2.75 -9.46 -0.38 0
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12613 141809 1 SiC5H8 AB5C8 29.64 0.71 -9.07 0.3 0
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12614 141853 1 NOSH5C7 ABCD5E7 23.52 3.23 -9.64 -1.31 0
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12615 141898 1 C15H16 A15B16 27.62 0.59 -9.09 0.35 0
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12616 141902 2 NC3H3 AB3C3 71.89 0.85 -9.34 -0.75 0
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12617 141904 2 C4H7 A4B7 7.56 0.43 -9.63 1.31 0
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12618 141905 2 C5H7 A5B7 100.47 0.94 -9.14 2.6 0
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12619 141940 1 O3C7H10 A3B7C10 -139.87 6.03 -11.05 -0.19 0
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12620 141957 1 O2C27H38 A2B27C38 -76.53 0.53 -8.25 -0.08 0
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12621 141959 1 NSO2H6C7 ABC2D6E7 -29.78 3.56 0.0 0.0 1
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12622 142051 1 OC10H20 AB10C20 -92.31 2.3 -10.08 2.94 0
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12623 142073 1 BeClC5H5 ABC5D5 102.39 1.92 -8.9 -0.44 -4
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12624 142130 2 C5H9 A5B9 -1.28 0.37 -9.55 1.34 0
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12625 142167 1 SN3C5H9 AB3C5D9 36.71 4.71 -8.26 0.12 0
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12626 142181 1 RhC11H13 AB11C13 84.02 7.65 -9.41 -3.62 -9
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12627 142191 2 C5H7 A5B7 32.28 0.63 -9.6 1.19 0
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12628 142194 1 C5H8 A5B8 5.08 0.42 -9.43 1.43 0
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12629 142196 1 PC8H13 AB8C13 5.1 1.34 -8.86 0.12 0
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12630 142202 1 SeC9H12 AB9C12 9.01 1.71 -8.27 0.03 0
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12631 142228 1 BrO2C7H7 AB2C7D7 -55.88 4.24 -8.86 -0.28 0
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12632 142230 1 O2C11H20 A2B11C20 -114.72 4.88 -9.6 0.63 0
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12633 142233 1 AsSiC15H19 ABC15D19 20.44 1.5 -7.98 0.37 0
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12634 142237 1 BN2C4H11 AB2C4D11 -36.13 1.41 -8.19 1.76 0
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12635 142238 1 FN6C7O10H11 AB6C7D10E11 -64.51 3.23 -11.62 -2.2 0
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12636 142249 1 AlO AB 6.35 3.97 0.0 0.0 0
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12637 142259 1 ClC6H13 AB6C13 -48.07 2.24 -10.35 1.15 0