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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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8643 79824 1 SO2C7H8 AB2C7D8 -61.95 1.94 -9.5 -0.76 0
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8644 79827 1 NO2C5H11 AB2C5D11 -90.39 2.98 -9.46 1.51 0
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8645 79828 2 CS2H3 AB2C3 -4.14 0.04 -8.67 -1.72 0
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8646 79833 1 NOC4H5 ABC4D5 12.48 3.33 -10.14 0.13 0
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8648 79854 1 ClSN2O4H5C7 ABC2D4E5F7 -119.36 6.17 -9.95 -1.44 0
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8649 79861 2 O3C5H9 A3B5C9 -157.23 3.59 -10.6 -0.59 0
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8650 79871 1 AsO3N6C9H11 AB3C6D9E11 -30.08 3.24 -8.96 -0.55 0
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8651 79882 1 NC5H13 AB5C13 -25.63 1.86 -9.21 3.54 0
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8652 79888 1 NO2C7H13 AB2C7D13 -99.88 2.33 -9.49 0.95 0
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8653 79891 1 SeC24H50 AB24C50 -113.33 1.21 -8.2 0.3 0
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8654 79908 1 NSO4H5C6 ABC4D5E6 -58.69 5.16 -10.14 -2.22 0
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8655 79926 1 OC8H16 AB8C16 -68.26 2.8 -9.31 1.46 0
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8656 79933 1 SN5O8H13C19 AB5C8D13E19 -85.81 2.95 -10.06 -2.43 0
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8657 80012 1 NC39H81 AB39C81 -177.24 1.29 -8.37 2.84 0
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8658 80094 1 NP2C5O6H15 AB2C5D6E15 -387.19 2.79 -9.35 0.84 0
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8659 80096 1 NP2O6C8H21 AB2C6D8E21 -402.37 2.32 -9.19 0.83 0
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8660 80097 1 NP2O6C9H23 AB2C6D9E23 -406.49 3.02 -9.32 0.85 0
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8661 80100 1 NP2O6C16H37 AB2C6D16E37 -442.44 2.05 -9.14 0.86 0
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8662 80104 1 NO2C16H25 AB2C16D25 -54.27 1.76 -8.27 0.32 0
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8663 80105 1 NO2C9H21 AB2C9D21 -114.73 1.3 -9.06 1.97 0
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8664 80108 1 OC15H22 AB15C22 -49.93 3.17 -9.95 -0.51 0
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8665 80113 1 O4H6C7 A4B6C7 -138.57 3.56 -10.3 -1.2 0
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8666 80119 2 NNaSO5H7C14 ABCD5E7F14 -410.26 3.89 -9.09 -2.03 0
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8667 80121 1 N5C10H19 A5B10C19 8.02 1.42 -9.6 0.03 0
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8668 80122 1 N2O2H14C19 A2B2C14D19 24.42 3.57 -9.08 -1.4 0
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8669 80123 2 NC5H5 AB5C5 53.25 2.84 -8.62 -0.16 0
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8670 80126 2 OC23H46 AB23C46 -296.05 1.73 -10.33 0.88 0
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8671 80131 1 O7C13H18 A7B13C18 -286.55 4.47 -8.84 -0.22 0
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8672 80144 1 NSC35H47 ABC35D47 -1.6 0.94 -7.9 -0.03 0
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8673 80147 1 NO2H3C6 AB2C3D6 4.09 4.51 -10.44 -1.56 0
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8674 80150 1 N5H7C8O8 A5B7C8D8 22.56 3.57 -11.46 -2.92 0
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8675 80154 1 Br2N2C11H20 A2B2C11D20 -4.12 8.48 -8.03 -0.43 0
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8676 80156 4 CNH3 ABC3 14.74 1.82 -8.9 2.3 0
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8677 80157 1 SN2Na2O6H8C13 AB2C2D6E8F13 -257.03 28.18 -8.08 -1.18 0
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8678 80158 1 SN2O6H10C13 AB2C6D10E13 -155.11 7.96 -9.9 -1.89 0
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8679 80163 1 BrO2N3C6H8 AB2C3D6E8 17.97 5.03 -10.3 -1.37 0
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8680 80167 2 O2C6H11 A2B6C11 -217.44 2.8 -10.95 0.47 0
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8681 80194 1 N2O5C11H14 A2B5C11D14 -45.46 6.85 -10.23 -1.65 0
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8682 80195 1 ClO2C8H13 AB2C8D13 -118.46 3.24 -11.11 -0.62 0
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8683 80216 1 N5C16H31 A5B16C31 -18.12 1.04 -9.62 0.05 0
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8684 80217 1 Cl2O3C6H8 A2B3C6D8 -148.41 3.52 -10.62 -0.88 0
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8685 80235 1 NPO2C19H33 ABC2D19E33 -53.84 21.24 0.0 0.0 1
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8686 80255 1 O4H10C13 A4B10C13 -98.6 4.28 -9.8 -0.66 0
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8687 80257 2 NO2C3H3 AB2C3D3 -153.67 4.76 -10.49 -1.64 0
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8688 80266 1 OC9H12 AB9C12 -42.65 0.48 -8.85 0.37 0
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8689 80332 1 N2S2O9H14C17 A2B2C9D14E17 -294.29 7.62 -9.62 -1.52 0
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8690 80362 1 PC21H21 AB21C21 38.63 2.9 -8.5 0.24 0
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8691 80364 2 NOC6H12 ABC6D12 -138.59 6.58 -10.44 1.07 0
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8692 80380 2 SN2O6H9C13 AB2C6D9E13 -308.58 3.1 -9.61 -2.0 0
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8693 80386 1 SiC2Cl4H4 AB2C4D4 -140.3 0.99 -10.69 -0.94 0