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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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5080 12559 1 NO15C55H103 AB15C55D103 -767.4 2.65 -7.77 -0.06 0
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5081 12560 1 NO13C37H67 AB13C37D67 -669.76 3.84 -9.0 0.32 0
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5082 12561 1 NC9H13 AB9C13 4.51 1.86 -8.3 0.51 0
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5083 12562 2 NH3O3C4 AB3C3D4 -49.82 5.77 -10.65 -1.64 0
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5084 12563 1 H12C13 A12B13 37.93 0.61 -9.21 0.24 0
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5085 12564 1 H12C13 A12B13 36.97 0.7 -9.03 -0.01 0
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5086 12565 1 O3C13H16 A3B13C16 -94.78 2.3 -7.97 -0.16 0
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5087 12568 1 O4H8C9 A4B8C9 -74.94 1.78 -10.24 -0.98 0
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5088 12569 2 OSH5C7 ABC5D7 -18.95 0.17 -9.38 -1.49 0
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5089 12571 1 O2C7H14 A2B7C14 -119.62 1.64 -10.66 0.9 0
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5090 12572 1 O3N4C10H16 A3B4C10D16 -80.51 4.43 -9.29 -0.05 0
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5091 12573 1 PCl2H5C6 AB2C5D6 -30.17 2.84 -9.98 -0.58 0
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5092 12576 1 N2O3H6C7 A2B3C6D7 -22.61 3.21 -10.9 -1.69 0
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5093 12577 1 NH3C5O5 AB3C5D5 -79.27 2.37 -11.32 -2.28 0
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5094 12578 1 OC11H14 AB11C14 -37.56 3.88 -9.67 -0.37 0
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5095 12581 1 NC9H9 AB9C9 42.4 3.66 -9.72 0.06 0
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5096 12582 1 OC8H14 AB8C14 -44.03 3.79 -9.94 -0.21 0
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5097 12584 1 O2C3H4N4 A2B3C4D4 -66.63 5.85 -10.85 -0.75 0
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5098 12585 5 CH2 AB2 -7.9 0.12 -9.51 1.47 0
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5099 12586 1 O2C3H6 A2B3C6 -82.75 1.58 -9.91 1.43 0
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5100 12587 2 OC3H6 AB3C6 -114.63 4.8 -11.03 0.65 0
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5101 12588 2 OC11H22 AB11C22 -190.13 1.73 -10.63 0.91 0
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5102 12591 1 O2C19H38 A2B19C38 -183.07 2.23 -10.79 0.56 0
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5103 12592 2 C12H25 A12B25 -118.09 0.09 -10.42 4.02 0
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5104 12594 1 SO5C19H28 AB5C19D28 -233.15 1.51 -9.5 -0.88 0
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5105 12595 2 OC9H11 AB9C11 -88.43 2.39 -8.73 0.24 0
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5106 12599 1 PN5O6C10H14 AB5C6D10E14 -264.47 3.87 -9.18 -0.61 0
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5107 12600 7 COH2 ABC2 -312.5 0.98 -10.4 -0.4 0
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5108 12603 1 ClNO5C20H28 ABC5D20E28 -242.81 3.88 -9.2 -0.93 0
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5109 12607 1 ClN2F3H4C8 AB2C3D4E8 -115.05 2.99 -9.71 -1.23 0
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5110 12611 1 FN5C7H12 AB5C7D12 -11.66 5.16 -9.45 0.0 0
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5111 12612 1 FON2C7H7 ABC2D7E7 -68.4 4.76 -9.0 -0.2 0
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5112 12613 2 OC5H10 AB5C10 -136.79 1.5 -10.72 0.94 0
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5113 12614 4 C2H3 A2B3 29.54 0.34 -9.47 1.37 0
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5114 12615 1 FSO2C4H9 ABC2D4E9 -151.74 5.3 -11.84 0.04 0
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5115 12619 1 FC7H15 AB7C15 -86.61 1.97 -11.21 3.12 0
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5116 12621 1 BNC4F4H12 ABC4D4E12 -364.56 17.49 -11.65 -0.84 0
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5118 12623 1 SnC3H10 AB3C10 8.76 0.69 -10.22 1.51 0
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5119 12624 1 OF2C3Cl3H3 AB2C3D3E3 -177.13 2.05 -11.34 -0.8 0
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5120 12626 1 NOH2C4F7 ABC2D4E7 -393.3 4.29 -11.53 -0.43 0
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5121 12628 1 SN2O3C14H20 AB2C3D14E20 -134.87 6.24 -9.86 -0.71 0
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5122 12629 1 O7C22H40 A7B22C40 -397.26 2.17 -10.74 -0.18 0
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5123 12630 1 ClN2O2C19H25 AB2C2D19E25 -87.33 5.48 -8.98 -0.19 0
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5124 12631 1 N2O2C19H24 A2B2C19D24 -43.39 1.65 -8.76 -0.05 0
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5125 12632 1 O2H8C9 A2B8C9 -50.93 2.87 -9.22 -0.8 0
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5126 12633 1 BrNOC13H22 ABCD13E22 -39.84 11.29 -8.04 -0.25 0
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5127 12634 1 NOC13H22 ABC13D22 -7.97 2.7 0.0 0.0 1
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5128 12635 2 N2C3 A2B3 160.74 0.01 -12.19 -3.05 0
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5129 12636 1 ClNO2C10H12 ABC2D10E12 -84.96 1.16 -8.97 -0.03 0
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5130 12637 1 NC7H15 AB7C15 -21.49 1.48 -8.47 2.99 0