List Systems

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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
18123 538396 2 O2C5H8 A2B5C8 -187.5 3.28 -10.37 0.44 0
18124 538407 4 O2C3H5 A2B3C5 -345.47 3.5 -9.84 0.26 0
18125 538424 1 NO7H11C15 AB7C11D15 -167.04 3.27 -9.81 -1.83 0
18126 538427 1 N2O5C19H20 A2B5C19D20 -62.8 4.85 -8.91 -1.47 0
18127 538429 1 O5C22H32 A5B22C32 -212.26 2.63 -9.92 -0.32 0
18128 538431 1 O2C21H32 A2B21C32 -122.48 2.21 -8.27 0.81 0
18129 538433 1 O2C25H42 A2B25C42 -80.45 5.25 -9.35 0.86 0
18130 538435 1 OC14H20 AB14C20 -30.26 4.51 -9.78 0.03 0
18131 538438 1 SN2O9C22H28 AB2C9D22E28 -377.11 2.22 -8.9 -0.28 0
18132 538439 1 SN3O5C16H17 AB3C5D16E17 -91.74 7.88 -8.98 -1.2 0
18133 538448 1 O3C14H20 A3B14C20 -128.31 3.32 -9.88 0.24 0
18134 538454 1 SN2O9C22H28 AB2C9D22E28 -375.37 2.47 -9.04 -0.32 0
18135 538456 1 PO6C14H17 AB6C14D17 -268.61 2.65 -8.09 -0.22 0
18136 538475 2 OC11H15 AB11C15 -63.15 4.3 -9.55 -0.04 0
18137 538504 2 NOC7H7 ABC7D7 -32.9 1.99 -10.0 -0.34 0
18138 538516 1 NO4C12H13 AB4C12D13 -145.69 1.74 -9.24 -0.16 0
18139 538523 2 OC15H26 AB15C26 -181.92 2.14 -9.37 2.37 0
18140 538524 1 OC26H48 AB26C48 -113.47 2.97 -9.12 0.4 0
18141 538529 2 O2C17H28 A2B17C28 -269.88 1.54 -9.71 0.89 0
18142 538531 1 O2C17H32 A2B17C32 -146.97 1.71 -9.51 0.83 0
18143 538540 1 O3C29H46 A3B29C46 -184.77 2.89 -9.68 0.44 0
18144 538543 2 OC7H12 AB7C12 -56.85 2.23 -9.56 0.94 0
18145 538564 1 OC10H18 AB10C18 -66.85 3.59 -9.38 0.79 0
18146 538568 1 O2C9H14 A2B9C14 -113.34 5.23 -9.94 0.9 0
18147 538571 2 OC5H9 AB5C9 -80.01 2.1 -10.45 0.96 0
18148 538572 1 O2C9H14 A2B9C14 -106.61 4.26 -9.96 0.5 0
18149 538574 2 O7C16H18 A7B16C18 -562.12 4.38 -10.93 -2.0 0
18150 538576 2 OC6H11 AB6C11 -119.51 2.04 -10.22 0.85 0
18151 538578 1 O2C9H14 A2B9C14 -106.82 2.04 -9.88 0.67 0
18152 538579 2 O2N3H4C5 A2B3C4D5 85.71 6.25 -10.11 -1.96 0
18153 538580 2 N3C7H14 A3B7C14 48.86 0.36 -7.97 -0.74 0
18154 538589 1 O3C10H18 A3B10C18 -167.73 3.83 -10.78 0.71 0
18155 538590 2 O2C5H8 A2B5C8 -181.43 0.93 -10.26 -0.41 0
18156 538591 2 O2C5H8 A2B5C8 -204.27 2.12 -9.8 0.6 0
18157 538592 1 F2N2O9C17H20 A2B2C9D17E20 -449.44 4.12 -10.1 -0.55 0
18158 538593 1 O8C11H16 A8B11C16 -368.64 3.77 -10.65 0.29 0
18159 538595 1 O4C13H16 A4B13C16 -123.29 6.31 -9.92 -0.54 0
18160 538600 1 O2C11H18 A2B11C18 -90.28 2.21 -9.7 0.96 0
18161 538605 2 OC4H6 AB4C6 -87.5 2.32 -9.92 0.5 0
18162 538623 1 SN2O2C19H22 AB2C2D19E22 -57.25 4.29 -8.65 -0.33 0
18163 538625 2 NOC3H4 ABC3D4 -36.54 1.35 -9.57 -0.02 0
18164 538631 1 O3C8H14 A3B8C14 -161.93 3.18 -10.46 0.76 0
18165 538639 1 O9C13H18 A9B13C18 -402.72 2.41 -11.09 0.03 0
18166 538640 1 NSO3F5C6H8 ABC3D5E6F8 -369.3 4.47 -11.01 -1.66 0
18167 538643 1 N2O5C12H18 A2B5C12D18 -216.02 4.35 -10.44 0.51 0
18168 538652 1 O3C14H24 A3B14C24 -145.58 6.29 -9.17 0.86 0
18169 538664 1 O2N5C9H9 A2B5C9D9 10.44 3.5 -8.91 -0.88 0
18170 538692 1 O5C16H28 A5B16C28 -257.36 1.27 -10.04 1.0 0
18171 538693 1 BO6C10H17 AB6C10D17 -341.16 1.28 -10.48 0.5 0
18172 538725 1 NO4C9H15 AB4C9D15 -194.57 4.96 -9.55 0.44 0
18173 538729 1 O10C17H20 A10B17C20 -394.42 8.69 -8.6 -0.47 0
18174 538730 1 NPC7H14 ABC7D14 -9.56 3.87 -9.26 1.21 0
18175 538734 1 O4C13H24 A4B13C24 -228.22 1.65 -10.87 0.75 0
18176 538743 1 NO9C15H23 AB9C15D23 -421.09 1.93 -10.01 0.44 0
18177 538744 1 O6C13H24 A6B13C24 -292.27 3.51 -9.93 1.39 0
18178 538774 1 O3C8H14 A3B8C14 -152.01 2.63 -10.41 0.22 0
18179 538775 3 O2C3H6 A2B3C6 -243.44 3.33 -9.41 0.18 0
18180 538779 1 NSO5C13H23 ABC5D13E23 -249.31 4.22 -9.05 0.2 0
18181 538785 2 O2C5H9 A2B5C9 -204.56 0.08 -9.88 1.31 0
18182 538786 1 NO8C19H31 AB8C19D31 -347.4 3.77 -9.21 0.24 0
18183 538787 2 OC8H16 AB8C16 -167.85 1.72 -10.6 0.97 0
18184 538793 1 NO3C4H7 AB3C4D7 -46.86 3.69 -11.09 -1.23 0
18185 538795 1 N3O8C13H15 A3B8C13D15 -180.03 6.67 -10.23 -2.11 0
18186 538797 1 SN2C8H12 AB2C8D12 43.65 2.34 -9.15 -0.16 0
18187 538798 1 OSC13H18 ABC13D18 -31.85 0.93 -8.21 0.28 0
18188 538802 2 O2C5H9 A2B5C9 -215.93 3.67 -11.08 0.5 0
18189 538803 1 SO2C6H10 AB2C6D10 -92.68 4.25 -9.06 -0.12 0
18190 538809 1 Cl2O4H10C11 A2B4C10D11 -178.81 3.44 -9.86 -0.86 0
18191 538839 1 O5C39H56 A5B39C56 -270.24 4.81 -9.66 -0.54 0
18192 538852 1 ClNO4H12C14 ABC4D12E14 -131.09 7.31 -9.41 -0.88 0
18193 538867 2 NOC9H9 ABC9D9 -31.16 4.26 -9.38 -0.41 0
18194 538870 1 N3O3C13H17 A3B3C13D17 -72.43 8.16 -9.26 -0.36 0
18195 538871 1 SO2N3C25H35 AB2C3D25E35 -22.61 4.48 -8.43 -0.26 0
18196 538873 1 ON6C11H16 AB6C11D16 47.06 6.16 -9.09 -0.54 0
18197 538876 2 O2C17H28 A2B17C28 -245.87 3.47 -9.1 0.82 0