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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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180149 76585877 1 N3O4C30H39 A3B4C30D39 -153.75 10.25 -8.73 -1.38 0
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180150 76585878 1 N3O5C34H47 A3B5C34D47 -222.09 8.25 -8.6 -1.22 0
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180151 76585879 1 RuN3H14C15 AB3C14D15 271.31 4.01 0.0 0.0 0
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180152 76585971 1 N5O5C28H45 A5B5C28D45 -249.82 6.94 -9.31 -0.16 0
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180153 76586081 1 N5O8C29H37 A5B8C29D37 -305.0 1.55 -9.59 -0.59 0
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180154 76586082 2 HN2O3 AB2C3 152.03 0.56 -9.63 -2.15 0
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180155 76586274 1 ClNSO6C26H26 ABCD6E26F26 -174.46 7.2 -8.46 -1.56 0
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180156 76586275 1 N8O11C53H68 A8B11C53D68 -311.8 5.71 -8.04 -0.93 0
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180157 76586276 1 NO5C16H23 AB5C16D23 -187.11 4.75 -9.51 -0.63 0
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180158 76586277 1 O2C23H32 A2B23C32 -57.84 4.52 -8.87 -0.13 0
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180159 76586278 1 O9N12C76H156 A9B12C76D156 -579.21 6.99 -8.4 0.35 0
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180160 76586279 1 NO5C32H59 AB5C32D59 -328.3 6.12 -9.38 0.42 0
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180161 76586465 1 F2O3N4C28H32 A2B3C4D28E32 -139.76 6.72 -8.62 -0.44 0
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180162 76587635 1 OC13H22 AB13C22 -63.84 3.12 -9.54 0.85 0
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180163 76587636 1 N3O3C28H35 A3B3C28D35 0.93 1.21 -8.5 -0.31 0
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180164 76587665 3 OC4H8 AB4C8 -182.3 3.82 -10.15 1.72 0
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180165 76587666 1 BrN2O3C17H23 AB2C3D17E23 -38.7 2.33 -8.65 -0.2 0
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180166 76587667 1 O4N5C28H33 A4B5C28D33 -50.78 2.49 -7.42 -1.35 0
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180167 76587717 1 O3C14H28 A3B14C28 -165.22 3.39 -9.14 1.93 0
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180168 76588159 1 O9N37C57H113 A9B37C57D113 -290.13 15.81 -9.08 0.04 0
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180169 76588451 1 FCl2O3N5C44H50 AB2C3D5E44F50 -119.88 5.21 -9.28 -0.41 0
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180170 76588521 1 Cl2O3N7C40H45 A2B3C7D40E45 -34.75 4.51 -9.21 -0.54 0
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180171 76589295 1 S4N11O15H33C37 A4B11C15D33E37 30.52 9.03 -8.31 -2.12 0
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180172 76589310 1 CuN4O8H29C48 AB4C8D29E48 124.39 17.3 -8.31 -2.46 0
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180173 76589607 1 ClN9C24H28 AB9C24D28 130.12 1.97 -8.42 -1.01 0
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180174 76589608 1 N9C21H23 A9B21C23 154.51 5.49 -8.19 -0.82 0
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180175 76589609 1 F2N9C31H33 A2B9C31D33 72.89 3.02 -8.42 -1.07 0
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180176 76590167 1 O2N4C9H16 A2B4C9D16 -64.84 0.89 -9.66 -0.58 0
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180177 76590198 1 SF2O3N7C28H29 AB2C3D7E28F29 -116.99 3.68 -8.98 -1.0 0
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180178 76590930 1 O2F3N9C28H28 A2B3C9D28E28 -43.97 4.84 -8.59 -0.9 0
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180179 76590973 1 ON10C24H24 AB10C24D24 156.52 8.2 -8.7 -0.84 1
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180180 76591134 1 ClPN4O4C23H27 ABC4D4E23F27 -130.2 6.61 0.0 0.0 0
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180181 76591408 1 NO2C22H33 AB2C22D33 -70.01 3.35 -8.88 -0.25 0
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180182 76592648 1 F2O3N8C36H44 A2B3C8D36E44 -124.45 8.3 -9.06 -0.93 0
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180183 76592913 1 F3O3N7C36H40 A3B3C7D36E40 -167.53 3.84 -8.81 -1.02 0
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180184 76592914 1 FO2N9C38H50 AB2C9D38E50 -39.58 6.52 -8.37 -0.7 1
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180185 76592915 3 ON3C12H16 AB3C12D16 -17.69 6.09 0.0 0.0 0
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180186 76593159 1 BrN4O4F6C30H35 AB4C4D6E30F35 -473.54 6.72 -9.32 -1.42 0
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180187 76593160 1 BrO3N4F6C36H39 AB3C4D6E36F39 -399.64 6.51 -9.18 -1.24 0
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180188 76593274 1 ON2C25H26 AB2C25D26 56.67 7.38 -9.36 -0.75 0
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180189 76593275 1 ON2C25H26 AB2C25D26 82.84 9.51 -9.38 -0.46 0
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180190 76593470 1 BrS2N3O3H18C22 AB2C3D3E18F22 36.89 2.09 -8.81 -1.67 0
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180191 76594209 1 FO4N7C39H46 AB4C7D39E46 -134.47 4.58 -8.66 -0.33 0
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180192 76594328 1 FO4N6C39H47 AB4C6D39E47 -159.28 5.8 -8.84 -0.17 0
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180193 76594329 1 F2O4N7C39H45 A2B4C7D39E45 -166.92 4.68 -8.52 -0.87 0
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180194 76594768 1 N2O3C15H28 A2B3C15D28 -166.67 6.63 -9.69 0.4 0
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180195 76594919 1 NO5C22H33 AB5C22D33 -256.96 4.34 -9.12 0.51 0
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180196 76594920 1 ClN2O6C28H31 AB2C6D28E31 -219.3 2.93 -8.86 -0.72 0
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180197 76595233 1 S2O4C13H14 A2B4C13D14 -48.71 2.01 -8.98 -0.76 0
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180198 76595317 2 O2C4H7 A2B4C7 -104.89 3.76 -9.62 -0.66 2