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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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315065 126624314 2 ON2C13H18 AB2C13D18 -65.83 4.53 -8.13 -0.87 0
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315067 126624316 1 FNOC11H18 ABCD11E18 -81.5 2.88 -9.37 -0.05 1
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315068 126624317 1 N2O5C48H91 A2B5C48D91 -336.78 5.53 0.0 0.0 0
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315070 126624323 1 N2O3C9H18 A2B3C9D18 -157.87 4.92 -9.99 0.43 0
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315071 126624324 1 O3C10H12 A3B10C12 -85.85 3.92 -9.99 -0.88 0
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315072 126624326 1 NC12H27 AB12C27 -47.49 0.95 -8.13 2.74 0
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315073 126624335 2 N2H39C53 A2B39C53 422.73 2.95 -7.8 -0.55 0
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315074 126624339 1 ON3H73C100 AB3C73D100 360.86 3.49 -7.87 -0.67 0
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315075 126624343 2 N2H37C52 A2B37C52 472.59 0.36 -7.72 -0.46 0
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315077 126624346 1 SO2N5H75C86 AB2C5D75E86 198.63 3.29 -8.19 -1.3 0
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315078 126624377 1 OC23H42 AB23C42 -74.49 2.25 -8.67 1.27 0
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315080 126624379 1 NC11H21 AB11C21 -12.96 1.01 -8.32 1.33 0
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315081 126624380 1 NC12H23 AB12C23 -21.01 0.98 -8.28 1.39 0
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315083 126624386 1 F2O2C21H28 A2B2C21D28 -212.91 3.96 -8.89 0.03 0
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315085 126624389 1 O4C11H18 A4B11C18 -185.88 4.7 -10.24 0.32 0
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315087 126624399 1 NO4C12H19 AB4C12D19 -183.66 1.41 -9.63 0.22 0
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315088 126624401 1 FN2C22H23 AB2C22D23 -3.18 6.89 -8.45 -0.1 0
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315090 126624411 1 O3N5C21H21 A3B5C21D21 -29.87 10.1 -9.13 -0.74 0
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315092 126624415 2 O6C14H17 A6B14C17 -414.22 1.02 -10.37 0.16 0
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315094 126624419 1 SN2O3C39H72 AB2C3D39E72 -221.34 3.66 -8.96 -0.07 0
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315095 126624421 1 N4O4C23H28 A4B4C23D28 -125.31 2.5 -9.12 0.12 0
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315097 126624424 1 SF2N6O8C29H34 AB2C6D8E29F34 -302.65 3.37 -9.45 -0.77 0
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315098 126624425 1 NO2C13H17 AB2C13D17 -49.78 1.81 -9.68 -0.41 0
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315099 126624426 1 SF2N6O8C28H30 AB2C6D8E28F30 -283.18 4.34 -9.51 -0.85 0
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315101 126624438 1 ClOSN5C20H20 ABCD5E20F20 44.89 2.42 -8.81 -0.88 0
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315102 126624439 1 OSF3N5H20C21 ABC3D5E20F21 -106.83 3.75 -8.95 -0.89 0
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315107 126624450 1 OP2C33H36 AB2C33D36 -3.13 1.14 -7.99 0.28 0
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315108 126624454 1 N8O47C94H168 A8B47C94D168 -2193.63 6.11 -8.9 -0.58 0
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315112 126624487 1 N2O10C25H38 A2B10C25D38 -440.05 3.62 -8.77 -0.77 0
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315113 126624489 1 N5O7C38H65 A5B7C38D65 -354.55 5.16 -8.98 0.11 0
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315114 126624490 2 N4O6C26H45 A4B6C26D45 -585.0 1.49 -9.39 0.15 0
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315115 126624493 1 N2O9C24H36 A2B9C24D36 -402.29 2.44 -9.03 -0.71 0
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315116 126624495 1 NO2C7H15 AB2C7D15 -78.75 2.98 -9.68 0.5 0
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315118 126624499 2 N3O3C13H21 A3B3C13D21 -288.24 8.37 -9.05 -0.32 0
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315119 126624501 1 N13O17C71H117 A13B17C71D117 -806.58 6.19 -8.91 -0.2 0
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315120 126624517 1 O8N11C37H45 A8B11C37D45 -271.11 10.72 -8.4 -0.16 0
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315121 126624518 1 O8N14C45H62 A8B14C45D62 -306.23 11.95 -8.71 -0.23 0
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315122 126624519 1 NH13C19 AB13C19 89.04 2.85 -8.92 -0.87 0
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315123 126624528 1 ON6H20C24 AB6C20D24 115.43 5.97 -8.93 -0.9 0
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315125 126624534 1 NSC11H23 ABC11D23 -32.49 2.29 -8.6 0.44 0
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315126 126624544 1 SN5H21C23 AB5C21D23 132.79 7.63 -8.81 -0.75 0
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315127 126624559 1 NOC12H21 ABC12D21 -70.98 3.66 -9.48 0.29 0
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315128 126624561 1 O8N11C30H39 A8B11C30D39 -311.09 12.64 -8.38 -0.08 0
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315131 126624566 1 NOC9H19 ABC9D19 -66.47 1.96 -8.72 2.26 0
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315132 126624568 1 O2N4H18C23 A2B4C18D23 63.54 4.06 -8.96 -1.01 0
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315133 126624569 1 NO3C14H27 AB3C14D27 -165.43 2.57 -9.17 1.18 0
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315135 126624574 1 NO2C8H17 AB2C8D17 -122.35 5.77 -10.06 0.97 0
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315139 126624584 1 INS2C4O4F8 ABC2D4E4F8 -502.58 2.21 -10.44 -3.73 0
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315140 126624586 1 NO3C19H29 AB3C19D29 -142.0 4.2 -9.55 -0.02 0
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315141 126624587 1 NOC11H23 ABC11D23 -90.87 4.55 -9.29 1.29 0