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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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146617 53718876 1 BNO3C8H14 ABC3D8E14 -61.19 1.76 -8.25 0.15 0
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146618 53718877 1 SN5O7C16H17 AB5C7D16E17 -196.14 1.92 -9.12 -1.22 0
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146619 53718878 2 OC4H8 AB4C8 -110.46 3.65 -10.09 0.76 0
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146620 53718879 1 O4C13H22 A4B13C22 -197.51 5.73 -10.28 0.3 0
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146621 53718880 1 O3C25H40 A3B25C40 -164.16 1.72 -9.8 -0.05 0
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146622 53718906 2 NO2C14H15 AB2C14D15 -88.25 12.03 -8.1 -0.89 0
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146623 53719442 1 N2O3C28H34 A2B3C28D34 -73.67 7.68 -8.34 -0.82 0
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146624 53719467 1 N2H10C13 A2B10C13 79.9 2.43 -8.39 -0.58 0
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146625 53719508 1 O2C15H16 A2B15C16 -41.71 2.88 -8.59 -0.05 0
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146626 53719722 1 NOF5H16C20 ABC5D16E20 -208.44 4.53 -9.44 -0.79 0
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146627 53719735 1 N2O3C17H22 A2B3C17D22 -89.72 2.54 -8.44 -0.01 0
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146628 53719791 1 S2O4C7H12 A2B4C7D12 -188.54 4.16 -9.96 -0.74 0
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146629 53719891 1 OSF3H7C8 ABC3D7E8 -170.84 3.26 -9.37 -0.8 0
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146630 53719892 2 H3C4 A3B4 150.08 3.73 -8.36 -1.31 0
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146631 53720103 1 FOH13C18 ABC13D18 -8.31 1.72 -8.93 -0.37 0
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146632 53721244 2 NO3H5C6 AB3C5D6 -148.87 6.19 -9.84 -1.84 0
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146633 53721249 1 ClN2O5H13C17 AB2C5D13E17 -82.57 3.59 -9.81 -1.64 0
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146634 53721357 1 SN2O3H26C27 AB2C3D26E27 -20.15 3.48 -8.55 -0.73 0
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146635 53721384 1 NO5F13H14C20 AB5C13D14E20 -748.15 7.45 -10.47 -1.7 0
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146636 53721605 2 NO3C9H12 AB3C9D12 -259.28 2.84 -9.74 -0.76 0
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146637 53721606 1 O2C15H20 A2B15C20 -84.0 6.09 -9.49 -0.41 0
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146638 53721670 1 NS2O5H15C20 AB2C5D15E20 -105.46 6.23 -9.39 -1.37 0
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146639 53721671 1 O3Cl4H16C22 A3B4C16D22 -53.02 3.3 -8.9 -0.68 0
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146640 53722002 1 PN4O4C9H17 AB4C4D9E17 -191.91 5.24 -10.01 -0.51 0
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146641 53722357 1 ON3C15H19 AB3C15D19 -3.4 5.54 -8.88 -0.18 0
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146642 53722548 1 SO2N6C21H24 AB2C6D21E24 28.16 9.31 -8.56 -0.98 0
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146643 53722848 1 N3O5C7H7 A3B5C7D7 -147.74 3.15 -9.49 -1.68 0
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146644 53723084 1 N3O3C7H7 A3B3C7D7 -70.17 5.86 -10.2 -1.75 0
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146645 53723175 1 N2S2O3C22H28 A2B2C3D22E28 -80.3 2.23 -8.4 -0.13 0
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146646 53723176 1 SN2O2H18C19 AB2C2D18E19 -18.68 6.42 -8.61 -0.78 0
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146647 53723309 1 N3O5C16H17 A3B5C16D17 -104.07 3.4 -8.75 -1.42 0
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146648 53724174 1 O4C19H28 A4B19C28 -162.39 3.0 -10.05 0.39 0
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146649 53724175 1 N2O3C33H52 A2B3C33D52 -134.48 5.06 -8.25 -0.27 0
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146650 53724176 1 O11C14H20 A11B14C20 -462.49 3.85 -10.4 -0.87 0
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146651 53724582 1 S3O6N9C17H17 A3B6C9D17E17 -52.22 9.9 -8.64 -1.07 0
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146652 53724697 1 O5N6C24H44 A5B6C24D44 -251.66 6.49 -9.52 0.19 0
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146653 53724698 1 N2O2C11H14 A2B2C11D14 -56.68 1.85 -8.89 -0.22 1
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146654 53725588 1 NOC20H26 ABC20D26 18.57 2.86 0.0 0.0 0
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146655 53726044 1 NO5H19C21 AB5C19D21 -135.3 6.76 -8.71 -0.74 0
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146656 53726136 1 NOSH13C14 ABCD13E14 60.67 3.34 -8.67 -0.84 0
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146657 53726840 1 OSCl2N5C16H17 ABC2D5E16F17 24.35 4.53 -8.89 -1.11 0
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146658 53727034 1 NSO3C16H17 ABC3D16E17 -89.93 6.38 -8.26 -0.95 0
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146659 53727111 1 NO3C7H11 AB3C7D11 -121.19 2.98 -10.11 0.45 0
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146660 53727195 1 O2N3C20H21 A2B3C20D21 71.02 6.19 -5.63 -1.59 0
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146661 53727196 2 NC7H10 AB7C10 25.52 4.72 -7.89 0.06 0
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146662 53727197 1 NO3C21H27 AB3C21D27 -79.98 2.04 -8.31 0.05 0
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146663 53727427 1 O8C25H44 A8B25C44 -436.6 2.07 -10.61 0.46 0
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146664 53727481 1 ClSN2O5C19H23 ABC2D5E19F23 -145.55 7.81 -8.96 -0.13 0
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146665 53727482 3 OC7H8 AB7C8 -79.77 0.93 -8.6 -0.32 1
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146666 53727798 1 O2N8C39H73 A2B8C39D73 -158.71 3.0 0.0 0.0 0