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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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45520 10514479 1 NCl3H5C7 AB3C5D7 32.45 2.16 0.0 0.0 0
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45521 10514489 1 NO4H11C13 AB4C11D13 -47.62 3.81 -8.88 -0.76 0
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45522 10514494 1 NO3C14H15 AB3C14D15 -79.08 3.22 -8.94 -0.06 0
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45523 10514495 1 NO3C14H15 AB3C14D15 -108.66 4.21 -8.91 -0.01 0
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45524 10514498 1 NO3C14H15 AB3C14D15 -87.41 3.22 -9.54 -0.25 0
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45525 10514500 1 NO3C14H15 AB3C14D15 -112.85 2.24 -8.86 -0.68 0
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45526 10514519 1 NH15C18 AB15C18 77.51 1.98 -8.33 -0.84 0
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45527 10514539 1 BKSiF3C8H15 ABCD3E8F15 -333.14 10.46 -9.13 0.06 -1
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45528 10514540 1 BSiF3C8H15 ABC3D8E15 -207.76 10.85 0.0 0.0 0
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45529 10514543 2 O2C7H7 A2B7C7 -108.57 3.97 -8.87 -0.75 0
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45530 10514547 1 O2H10C17 A2B10C17 22.43 5.77 -9.19 -1.43 0
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45531 10514559 3 OC5H6 AB5C6 -109.18 4.24 -9.76 -0.82 0
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45532 10514574 3 OC5H6 AB5C6 -88.63 2.39 -9.86 -0.96 0
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45533 10514578 2 NOC7H9 ABC7D9 -63.98 7.15 -9.44 -0.01 0
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45534 10514596 1 SiO2C13H24 AB2C13D24 -112.46 2.17 -8.8 1.12 0
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45535 10514598 1 ON2C15H22 AB2C15D22 -17.57 1.41 -8.43 -0.16 0
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45536 10514602 2 N2C7H11 A2B7C11 35.08 4.81 -8.46 0.03 0
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45537 10514622 1 NO5H9C12 AB5C9D12 -87.16 5.19 -9.52 -1.74 0
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45538 10514629 1 N3O3C12H13 A3B3C12D13 -32.84 3.3 -8.96 -0.7 0
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45539 10514676 1 OF2N2H10C13 AB2C2D10E13 -79.38 4.83 -8.71 -0.81 0
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45540 10514705 1 O3C15H20 A3B15C20 -80.96 2.42 -9.33 -0.23 0
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45541 10514731 1 ClO4C11H17 AB4C11D17 -211.1 5.19 -10.17 0.2 0
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45542 10514748 1 O2N5C11H15 A2B5C11D15 14.91 8.68 -9.72 -1.83 0
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45543 10514751 1 NO3C14H19 AB3C14D19 -128.09 4.63 -9.6 0.01 0
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45544 10514766 1 NOH15C17 ABC15D17 32.67 3.89 -9.3 -0.59 0
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45545 10514771 1 FNOC15H20 ABCD15E20 -76.95 1.15 -8.52 -0.2 0
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45546 10514774 1 OSN3C12H15 ABC3D12E15 -6.23 3.66 -9.02 -1.3 0
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45547 10514777 1 NO2C15H23 AB2C15D23 -78.76 3.87 -8.37 0.21 0
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45548 10514780 1 NO2C15H23 AB2C15D23 -84.08 2.05 -9.22 0.45 0
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45549 10514787 1 NOC16H27 ABC16D27 -61.22 3.25 -9.04 -0.12 0
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45550 10514793 1 ClNOC14H16 ABCD14E16 -23.41 3.03 -9.41 -0.77 0
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45551 10514794 1 ClN3C13H16 AB3C13D16 20.83 4.64 -9.14 -0.64 0
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45552 10514795 1 ClNO2C12H24 ABC2D12E24 -171.54 8.86 -10.16 -0.01 0
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45553 10514800 1 O5C13H14 A5B13C14 -190.94 7.13 -9.32 -0.51 0
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45554 10514830 1 FON2C14H19 ABC2D14E19 -60.39 6.9 -9.62 -0.44 0
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45555 10514835 1 O4C13H18 A4B13C18 -145.93 6.11 -8.71 -0.34 0
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45556 10514839 1 O3C15H22 A3B15C22 -150.25 3.01 -9.97 0.47 0
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45557 10514848 1 SO2C14H18 AB2C14D18 -85.13 2.32 -8.39 -0.18 0
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45558 10514881 1 NO4C13H17 AB4C13D17 -186.28 7.98 -10.7 -0.52 0
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45559 10514884 1 NO4C13H17 AB4C13D17 -167.28 3.83 -9.26 -0.16 0
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45560 10514928 1 NO2C13H13 AB2C13D13 -23.62 1.66 -8.78 -0.82 0
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45561 10514944 1 O5C13H16 A5B13C16 -198.18 1.74 -8.93 0.12 0
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45562 10514946 1 O3H12C16 A3B12C16 -60.88 1.76 -9.24 -1.59 0
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45563 10514975 1 OSH12C16 ABC12D16 24.28 1.65 -8.51 -0.23 0
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45564 10514979 3 OC5H8 AB5C8 -135.14 4.24 -9.37 0.34 0
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45565 10514990 3 OC5H8 AB5C8 -166.53 4.87 -9.66 0.65 0
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45566 10514992 1 OC18H20 AB18C20 2.63 1.56 -9.03 0.36 0
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45567 10514994 2 NOC7H12 ABC7D12 -79.38 4.85 -8.4 0.28 0
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45568 10515018 1 NO5C12H15 AB5C12D15 -184.16 1.7 -9.55 -0.47 0
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45569 10515029 1 NO2H15C16 AB2C15D16 -9.81 1.92 -8.74 -0.17 0
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45570 10515067 1 ClN5C11H16 AB5C11D16 11.41 6.52 -9.22 -0.46 2
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45571 10515069 1 FeC15H18 AB15C18 77.01 2.48 -8.35 0.15 0
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45572 10515100 1 ON4C14H14 AB4C14D14 26.42 4.59 -8.47 -0.11 0
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45573 10515110 2 O2C7H11 A2B7C11 -202.88 2.1 -10.04 0.83 0
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45574 10515128 1 O3C15H26 A3B15C26 -162.69 5.57 -9.63 0.38 0
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45575 10515130 1 O3C15H26 A3B15C26 -185.23 2.61 -10.31 0.68 0
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45576 10515148 1 ClO4H11C12 AB4C11D12 -90.39 4.62 -8.43 -0.52 0
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45577 10515152 1 BrN2F3H6C7 AB2C3D6E7 -137.17 4.03 -8.86 -0.81 0
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45578 10515154 1 BrOC12H15 ABC12D15 -40.89 2.74 -8.7 -0.02 0
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45579 10515164 1 NO5C12H17 AB5C12D17 -225.75 5.3 -9.73 0.27 0
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45580 10515200 1 NSiO2C13H25 ABC2D13E25 -144.98 4.4 -8.78 1.06 0
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45581 10515205 1 ClNO2C13H18 ABC2D13E18 -86.64 4.23 -8.15 -0.44 0
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45582 10515223 1 SO3N4C9H12 AB3C4D9E12 -41.41 7.0 -9.61 -0.98 0
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45583 10515225 1 O3C16H16 A3B16C16 -74.19 4.28 -9.27 -0.48 0
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45584 10515228 1 O3C16H16 A3B16C16 -86.34 3.17 -8.35 -0.12 0
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45585 10515239 1 OSN2H12C14 ABC2D12E14 13.83 3.89 -8.96 -0.54 0
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45586 10515241 2 O2C7H12 A2B7C12 -207.68 2.58 -9.71 1.78 0
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45587 10515251 1 OSC16H16 ABC16D16 7.61 1.56 -8.75 -0.68 0
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45588 10515268 1 ClO3C13H17 AB3C13D17 -136.26 1.58 -9.59 0.25 0
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45589 10515277 1 BrO2C11H13 AB2C11D13 -40.93 0.92 -9.3 -1.28 0
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45590 10515293 1 NO3C15H15 AB3C15D15 -75.46 2.35 -9.73 -0.59 0
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45591 10515301 1 NO4C13H23 AB4C13D23 -219.72 7.56 -9.88 0.33 0
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45592 10515302 1 NO2C16H19 AB2C16D19 -21.77 1.75 -8.81 0.16 0
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45593 10515314 1 NC18H27 AB18C27 -7.91 1.64 -8.43 0.48 0
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45594 10515342 1 PO4C12H19 AB4C12D19 -217.45 4.83 -10.14 -0.27 0