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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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25143 619509 2 N2O2C5H5 A2B2C5D5 -94.01 0.37 -10.0 -1.47 0
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25144 619511 2 O2C7H9 A2B7C9 -146.37 3.08 -8.09 0.23 0
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25145 619513 2 NO2C6H7 AB2C6D7 -137.71 9.38 -8.72 -0.65 0
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25146 619518 1 N4H14C15 A4B14C15 102.97 4.65 -8.8 -1.12 0
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25147 619521 1 O3H10C16 A3B10C16 -39.09 2.37 -9.57 -1.97 0
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25148 619556 2 ClNH4C6 ABC4D6 66.79 2.73 -9.46 -1.35 0
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25149 619569 1 ON3C23H29 AB3C23D29 0.67 3.54 -9.17 -0.06 0
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25150 619572 1 NOCl2H13C15 ABC2D13E15 -20.32 1.18 -8.78 -1.56 0
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25151 619596 1 ClNSH12C16 ABCD12E16 76.63 1.18 -8.65 -1.14 0
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25152 619637 1 N3O3C24H25 A3B3C24D25 20.88 7.51 -8.2 -1.06 0
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25153 619643 1 ON2C25H28 AB2C25D28 21.92 1.23 -8.64 0.32 0
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25154 619652 1 NO4H15C22 AB4C15D22 -84.91 4.96 -8.54 -2.21 0
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25155 619723 1 O3H12C16 A3B12C16 -39.31 3.61 -9.08 -1.11 0
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25156 619761 4 OC6H8 AB6C8 -156.59 2.24 -9.02 -0.63 0
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25157 619996 1 O3C20H38 A3B20C38 -197.1 3.48 -10.17 -0.29 0
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25158 620026 1 OSC20H24 ABC20D24 -5.84 6.58 -8.39 -0.79 0
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25159 620320 2 OH9C11 AB9C11 -17.22 1.94 -8.79 -0.35 0
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25160 620353 1 PSN2F3O3C16H18 ABC2D3E3F16G18 -329.25 7.47 -9.33 -1.32 0
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25161 620365 1 O5H18C20 A5B18C20 -152.7 2.57 -8.89 -1.69 0
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25162 620460 1 OCl2N3H7C10 AB2C3D7E10 5.16 2.31 -9.48 -0.82 0
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25163 620484 1 BrS2H11C15 AB2C11D15 60.06 5.35 -8.49 -1.99 0
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25164 620502 1 SN4C14H14 AB4C14D14 91.15 5.58 -8.6 -1.1 0
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25165 620503 2 OC9H11 AB9C11 -88.15 1.02 -8.39 0.37 0
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25166 620512 1 FOSN2H9C14 ABCD2E9F14 30.46 1.99 -8.78 -1.27 0
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25167 620536 1 SN2O2H18C21 AB2C2D18E21 -4.45 1.92 -8.61 -0.68 0
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25168 620538 1 OSiF5C19H29 ABC5D19E29 -351.21 4.03 -10.02 -0.78 0
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25169 620695 2 NH6C9 AB6C9 121.3 4.42 -9.08 -0.86 0
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25170 620696 2 NH6C9 AB6C9 101.23 0.82 -8.9 -1.06 0
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25171 620697 1 FO2H13C16 AB2C13D16 -59.58 3.06 -9.22 -0.88 0
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25172 620719 1 ClON2H15C17 ABC2D15E17 18.35 2.87 -9.16 -0.88 0
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25173 620724 1 ClN2H13C15 AB2C13D15 72.29 4.52 -8.27 -0.59 0
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25174 620794 1 OSiC17H38 ABC17D38 -171.87 1.85 -9.19 1.46 0
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25175 620823 1 ClSO3H21C22 ABC3D21E22 -66.31 2.62 -9.1 -0.91 -6
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25176 620824 1 NNiC14H17 ABC14D17 190.3 1.55 -7.61 -3.71 0
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25177 620825 1 NPO4C11H16 ABC4D11E16 -210.97 3.82 -8.22 0.22 0
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25178 620826 1 NSBr2H3C4 ABC2D3E4 46.44 1.06 -9.44 -1.0 0
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25179 620827 1 N2O2C23H34 A2B2C23D34 -109.19 4.67 -9.06 0.88 0
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25180 620828 1 NOSC15H15 ABCD15E15 30.08 4.41 -8.32 -0.48 0
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25181 620829 1 O2C27H46 A2B27C46 -166.79 2.85 -9.44 2.38 0
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25182 620830 1 N3O6H7C12 A3B6C7D12 -78.78 3.35 -8.42 -2.34 0
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25183 620831 1 ClN2O3F6H13C14 AB2C3D6E13F14 -426.26 5.66 -9.59 -0.77 0
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25184 620832 1 ClN2O3F6H13C14 AB2C3D6E13F14 -428.61 5.81 -9.48 -0.76 0
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25185 620833 1 NO2C16H19 AB2C16D19 -79.32 3.39 -9.05 0.09 0
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25186 620845 1 NO3C15H15 AB3C15D15 -19.07 7.0 -9.12 -1.21 -10
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25187 620852 1 FeNC14H19 ABC14D19 78.45 3.45 -7.6 1.07 0
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25188 620854 1 O6H16C17 A6B16C17 -207.38 4.23 -9.17 -1.31 0
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25189 620856 1 ClNOH12C15 ABCD12E15 13.03 4.15 -8.46 -1.3 0
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25190 620923 1 NO3C20H27 AB3C20D27 -93.98 3.06 -8.55 0.38 0
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25191 620924 1 N4O4C29H46 A4B4C29D46 -180.1 10.13 -8.05 -0.43 0
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25192 620925 1 O4C23H36 A4B23C36 -229.66 4.38 -9.88 0.4 0