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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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392130 135013193 1 ClSiO4C22H25 ABC4D22E25 -183.79 4.27 -9.52 -0.35 0
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392131 135013195 1 NSO3C20H25 ABC3D20E25 -98.56 7.04 -9.25 -0.32 0
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392132 135013196 1 NSO3C19H23 ABC3D19E23 -96.32 4.28 -9.4 -0.3 0
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392133 135013198 4 NOC9H11 ABC9D11 -102.7 3.77 -8.51 -0.4 0
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392134 135013210 1 BrClLiNSC3 ABCDEF3 51.09 7.15 -8.68 0.03 0
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392135 135013216 2 N2O2C12H13 A2B2C12D13 -81.79 3.34 -8.45 -0.24 0
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392136 135013225 1 N3C21H25 A3B21C25 38.12 3.59 -7.04 0.0 0
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392137 135013230 1 NO3C8H11 AB3C8D11 -104.6 4.44 -10.1 -0.17 0
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392138 135013234 1 NO3C17H23 AB3C17D23 -136.98 3.59 -8.66 -0.22 0
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392139 135013235 1 NO5C22H31 AB5C22D31 -242.76 3.53 -8.68 -0.22 0
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392140 135013238 1 IO4C20H21 AB4C20D21 -93.28 2.94 -9.29 -1.66 0
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392141 135013245 1 O2N3H21C25 A2B3C21D25 48.09 3.88 -8.78 -0.66 0
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392142 135013268 1 N4O6C27H40 A4B6C27D40 -280.76 4.05 -9.05 0.12 0
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392143 135013275 1 NO3H21C24 AB3C21D24 -48.64 4.68 -9.55 -0.56 0
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392144 135013293 1 O4C17H24 A4B17C24 -105.77 1.78 -9.45 0.82 0
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392145 135013313 16 CH AB 75.71 1.05 -8.94 -0.08 0
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392146 135013315 1 O2F3H13C18 A2B3C13D18 -153.11 3.94 -9.8 -1.07 0
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392147 135013328 1 O3C19H22 A3B19C22 -39.46 2.87 -8.84 -0.22 0
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392148 135013329 1 SO5C20H24 AB5C20D24 -126.86 4.66 -8.95 -0.32 0
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392149 135013331 1 O5C10H16 A5B10C16 -245.55 1.52 -10.12 0.59 1
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392150 135013332 1 ON2C7H13 AB2C7D13 -37.09 4.8 0.0 0.0 0
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392151 135013358 1 NO6C12H21 AB6C12D21 -233.88 4.58 -9.76 0.23 0
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392152 135013359 1 N2O3H12C17 A2B3C12D17 -18.06 3.41 -8.68 -0.74 0
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392153 135013364 1 NS2O4C14H27 AB2C4D14E27 -228.9 2.69 -8.85 -1.03 0
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392154 135013391 1 NO5H21C22 AB5C21D22 -109.98 3.4 -9.66 -1.54 -1
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392155 135013409 1 OC7H11 AB7C11 -4.29 2.13 0.0 0.0 0
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392156 135013415 1 NSiO2C20H27 ABC2D20E27 -105.94 3.63 -8.5 -0.35 0
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392157 135013420 1 H22C23 A22B23 114.87 1.19 -8.73 -0.07 0
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392158 135013421 1 C27H32 A27B32 69.77 1.38 -8.72 -0.01 0
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392159 135013443 1 SiO2C21H40 AB2C21D40 -166.08 0.88 -8.82 0.54 0
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392160 135013444 1 SiO2C18H34 AB2C18D34 -149.8 0.88 -8.9 0.22 0
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392161 135013445 1 OH18C20 AB18C20 74.14 3.81 -9.07 -0.83 0
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392162 135013446 1 OH20C23 AB20C23 26.1 1.52 -8.69 -0.6 0
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392163 135013461 2 NH7C12 AB7C12 164.72 5.61 -8.56 -1.56 0
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392164 135013464 1 PN2O6C21H33 AB2C6D21E33 -316.73 4.33 -8.56 0.36 0
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392165 135013465 1 N2O5C15H20 A2B5C15D20 -192.81 3.4 -9.73 -0.5 0
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392166 135013476 1 NO2C17H19 AB2C17D19 -2.46 4.65 -9.25 -0.23 0
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392167 135013479 1 O4C15H22 A4B15C22 -156.48 3.48 -9.39 -0.03 0
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392168 135013481 2 TeC9H12 AB9C12 14.18 2.03 -8.06 -0.45 0
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392169 135013492 2 OC6H7 AB6C7 -40.67 1.34 -8.84 -0.19 0
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392170 135013527 2 OC13H14 AB13C14 0.3 2.39 -9.09 -0.34 0
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392171 135013528 1 OC26H26 AB26C26 101.49 3.83 -9.03 -0.84 0
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392172 135013529 1 NO4C24H27 AB4C24D27 -124.29 2.58 -9.26 0.07 0
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392173 135013538 1 O3C21H32 A3B21C32 -163.34 1.64 -8.39 -0.11 0
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392174 135013542 1 ClN3O3H14C19 AB3C3D14E19 27.17 5.7 -8.82 -1.55 0
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392175 135013543 3 NOC5H5 ABC5D5 -14.5 6.55 -8.91 -1.2 0
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392177 135013545 1 LiC14H21 AB14C21 26.81 6.46 -7.91 0.89 0
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392178 135013551 1 O2N3H25C27 A2B3C25D27 27.64 4.01 -8.66 -0.58 0
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392179 135013553 1 SeC10H12 AB10C12 28.95 1.71 -8.5 -0.11 -1
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392180 135013554 1 NO3H16C18 AB3C16D18 -8.57 1.84 0.0 0.0 0