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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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127549 51005822 2 NC12H15 AB12C15 68.83 1.07 -8.6 0.4 0
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127550 51005887 1 SN3O4C36H55 AB3C4D36E55 -193.06 5.2 -8.21 0.11 0
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127551 51005888 2 O3C8H11 A3B8C11 -215.01 2.05 -9.44 -0.68 0
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127552 51005889 1 BrNSO4C21H28 ABCD4E21F28 -144.67 5.05 -9.58 -0.87 0
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127553 51005940 1 NO29H61C96 AB29C61D96 -503.79 13.48 -9.36 -2.8 0
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127554 51005941 1 ON4C16H16 AB4C16D16 117.48 4.45 -8.6 -0.69 0
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127555 51005942 1 O4C17H24 A4B17C24 -147.83 1.96 -9.43 0.22 0
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127556 51005943 2 NO2C12H14 AB2C12D14 -125.37 0.32 -7.84 -0.42 0
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127557 51006021 1 SO4H14C15 AB4C14D15 -98.24 4.88 -10.28 -0.7 0
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127558 51006022 1 O7C24H30 A7B24C30 -246.73 4.28 -9.6 0.38 0
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127559 51006023 1 O5C24H38 A5B24C38 14.08 4.54 -9.3 0.73 0
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127560 51006132 1 ClNO5C18H18 ABC5D18E18 -199.13 9.77 -8.64 -0.24 0
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127561 51006133 1 N2O5C22H26 A2B5C22D26 -151.49 4.71 -8.62 -0.33 0
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127562 51006175 1 NO4H29C31 AB4C29D31 -36.03 5.05 -9.21 -0.19 0
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127563 51006179 1 O9C22H22 A9B22C22 -259.35 2.54 -9.46 -1.21 0
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127564 51006182 1 SN3C20H23 AB3C20D23 123.17 4.47 -8.54 -0.85 0
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127565 51006183 1 SN3C20H23 AB3C20D23 123.49 4.52 -8.53 -0.77 0
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127566 51006202 1 NO5C22H25 AB5C22D25 -177.0 2.74 -8.74 -0.14 0
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127567 51006692 1 ClO3C15H17 AB3C15D17 -74.53 4.08 -9.01 0.1 0
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127568 51006724 1 FN2O3C19H23 AB2C3D19E23 -149.96 6.77 -8.73 -0.29 0
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127569 51006829 1 O6C21H28 A6B21C28 -268.38 4.29 -9.98 -0.85 0
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127570 51006830 1 O7C21H24 A7B21C24 -229.62 2.08 -8.28 -0.25 0
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127571 51007005 1 O2C19H30 A2B19C30 -102.59 1.6 -9.66 0.09 0
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127572 51007006 1 NSO4C21H29 ABC4D21E29 -151.77 5.17 -9.67 -0.51 0
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127573 51007007 1 SiO4C15H28 AB4C15D28 -202.27 2.35 -8.65 0.93 0
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127574 51007008 1 ClNSO5C20H22 ABCD5E20F22 -164.21 7.1 -9.64 -0.42 0
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127575 51007009 1 N2O3C11H12 A2B3C11D12 -102.63 5.61 -8.8 -0.24 0
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127576 51007010 1 OSC7H10 ABC7D10 3.65 4.61 -8.95 0.5 0
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127578 51007012 1 N3O3C18H25 A3B3C18D25 -133.28 3.99 -8.86 -0.35 0
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127579 51007013 1 ON2H20C21 AB2C20D21 53.56 2.81 -9.1 -0.76 0
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127580 51007055 1 Cl2N4O5H24C25 A2B4C5D24E25 -129.05 4.88 -9.04 -1.43 0
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127581 51007104 1 NO36C49H75 AB36C49D75 -1573.67 3.46 -8.85 -0.46 0
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127582 51007105 1 N3O4C21H25 A3B4C21D25 -88.35 4.76 -8.66 -0.46 0
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127583 51007106 1 O3C25H34 A3B25C34 -136.54 4.17 -9.35 0.33 0
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127584 51007212 2 O5C21H27 A5B21C27 -375.65 11.06 -8.7 -0.7 0
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127585 51007372 1 N2O3C21H22 A2B3C21D22 -61.97 2.89 -9.51 -0.85 0
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127586 51007409 1 NSO4C18H23 ABC4D18E23 -145.13 6.17 -9.38 -0.34 0
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127587 51007457 1 O7C17H22 A7B17C22 -235.39 3.28 -9.66 -0.3 0
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127588 51007606 1 N3O36C55H83 A3B36C55D83 -1566.12 12.24 -8.69 -0.36 0
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127589 51007621 1 Cl2N3O3C35H39 A2B3C3D35E39 -58.18 2.95 -8.88 -0.55 0
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127590 51007622 1 FN2O4C38H45 AB2C4D38E45 -203.92 8.06 -8.82 -0.37 0
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127591 51007623 1 O5C21H24 A5B21C24 -135.83 3.22 -8.48 -0.56 0
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127592 51007624 1 O27C56H92 A27B56C92 -1297.44 6.23 -9.75 -0.18 0
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127593 51007788 2 O2C12H13 A2B12C13 -94.18 2.4 -9.34 -0.25 0
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127594 51007802 1 O2F5H11C14 A2B5C11D14 -267.63 3.78 -9.97 -0.78 0
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127595 51007881 1 NO4C15H23 AB4C15D23 -184.01 5.32 -9.3 0.17 0
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127596 51007906 2 N3H11C15 A3B11C15 219.48 9.12 -9.04 -0.8 0
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127597 51007923 1 NCl2O3H13C15 AB2C3D13E15 -91.27 5.23 -9.16 -0.68 0
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127598 51007980 1 N2O3C21H28 A2B3C21D28 -113.56 4.47 -8.81 0.28 0
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127599 51008164 1 NO3C9H11 AB3C9D11 -85.29 3.89 -10.2 -0.27 0
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127600 51008231 1 N2O6C21H30 A2B6C21D30 -212.13 4.08 -9.21 -0.11 0
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127601 51008235 2 OC6H8 AB6C8 -61.58 2.55 -10.17 0.39 0
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127602 51008246 1 SO5C16H20 AB5C16D20 -197.18 7.22 -10.1 -0.5 0
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127603 51008273 1 O3C10H16 A3B10C16 -146.74 4.21 -9.52 0.3 0
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127604 51008274 1 NO9C38H49 AB9C38D49 -232.49 7.3 -8.76 -0.69 0
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127605 51008283 1 BrO3C15H21 AB3C15D21 -129.09 2.58 -9.92 -0.1 0
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127606 51008359 2 O3C12H16 A3B12C16 -285.36 3.78 -9.9 0.46 0
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127607 51008360 2 NO2C9H11 AB2C9D11 -129.53 6.22 -8.28 0.11 0
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127608 51008361 1 O4C17H28 A4B17C28 -219.32 3.11 -10.55 0.8 0
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127609 51008362 2 NC9H10 AB9C10 31.73 3.28 -8.42 -0.27 0
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127610 51008363 1 O3C16H22 A3B16C22 -131.14 5.87 -9.45 -0.4 0
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127611 51008364 1 SN2F3O5C21H25 AB2C3D5E21F25 -326.93 11.5 -9.95 -1.02 0
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127612 51008365 1 Br3H11C15 A3B11C15 55.58 2.9 -9.05 -1.04 0
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127613 51008400 1 BrO2H11C14 AB2C11D14 23.4 2.29 -9.29 -0.86 0
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127614 51008401 1 OC12H20 AB12C20 -36.91 1.8 -9.13 1.32 0
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127615 51008402 1 NO3C19H25 AB3C19D25 -86.57 4.84 -9.04 0.6 0
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127616 51008480 1 N2S2O45C69H100 A2B2C45D69E100 -1930.78 10.85 -8.98 -1.11 0
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127617 51008481 1 NOC15H21 ABC15D21 -31.48 1.7 -8.66 0.29 0
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127618 51008542 1 NO6C26H31 AB6C26D31 -186.59 4.96 -9.97 -0.73 2
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127619 51008557 2 ON2C16H22 AB2C16D22 79.43 37.09 -3.38 -1.74 0
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127621 51008970 1 O3N4C24H30 A3B4C24D30 -63.89 3.85 -8.91 -0.21 0
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127622 51008971 1 O3C14H18 A3B14C18 -129.37 2.78 -9.76 -0.21 0
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127623 51009004 2 OC6H8 AB6C8 -66.95 1.92 -9.59 0.25 0
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127624 51009023 1 O3C18H26 A3B18C26 -115.36 3.43 -9.45 0.47 0
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127625 51009025 1 ClN2O3H13C16 AB2C3D13E16 -50.98 4.39 -9.18 -0.61 0