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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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385020 134978161 1 S3H17C21 A3B17C21 135.18 1.47 0.0 0.0 0
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385021 134978162 1 SbSe3C6Cl6H11 AB3C6D6E11 -69.2 15.32 -9.35 -3.07 1
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385022 134978163 1 Se3C6H11 A3B6C11 49.54 1.9 0.0 0.0 0
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385023 134978165 1 NO2C27H33 AB2C27D33 -16.58 4.68 -8.42 -0.04 0
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385024 134978166 1 NO2C28H35 AB2C28D35 -23.5 4.4 -8.39 -0.02 0
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385025 134978167 2 O2C15H23 A2B15C23 -216.45 0.84 -10.0 -0.1 0
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385026 134978168 2 O2C15H23 A2B15C23 -218.96 1.72 -10.21 -0.19 0
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385027 134978169 2 PF3C12H13 AB3C12D13 -439.75 18.91 -9.71 -0.93 1
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385028 134978170 1 PC24H26 AB24C26 48.9 8.18 0.0 0.0 0
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385029 134978171 2 PF3C12H13 AB3C12D13 -301.81 17.87 -6.57 -1.13 1
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385030 134978172 1 PC24H26 AB24C26 47.64 7.63 0.0 0.0 0
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385031 134978174 1 BrPN2C17H24 ABC2D17E24 7.22 5.99 -7.44 0.09 0
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385032 134978175 1 BrPN2C22H26 ABC2D22E26 29.77 6.24 -7.66 -0.24 0
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385033 134978178 1 OPSC9H21 ABCD9E21 -150.99 4.55 -8.75 0.98 0
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385034 134978179 1 OPSC11H25 ABCD11E25 -154.38 4.09 -8.88 0.86 0
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385035 134978180 1 NaPO3C4H10 ABC3D4E10 -240.08 7.95 -9.39 0.26 0
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385036 134978181 1 IPSC15H34 ABCD15E34 -93.09 8.28 -7.53 0.61 0
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385037 134978183 1 O3C11H12 A3B11C12 -74.17 1.74 -9.02 -0.79 0
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385038 134978186 2 BPC9H10 ABC9D10 151.46 0.71 -6.98 -0.53 0
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385039 134978188 1 FeOP2H36C42 ABC2D36E42 306.42 17.17 -6.25 -2.9 0
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385041 134978193 1 PS2O3C12H25 AB2C3D12E25 -250.1 5.01 -9.27 -0.75 0
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385042 134978194 1 PSeN4O11C20H27 ABC4D11E20F27 -483.03 2.96 -9.81 -0.87 0
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385043 134978195 1 BrNOC18H18 ABCD18E18 19.59 4.58 -9.55 -0.92 0
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385044 134978196 1 N2O3H18C20 A2B3C18D20 -56.95 7.44 -9.45 -1.5 0
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385045 134978198 1 KPO5F12H24C34 ABC5D12E24F34 -836.66 11.73 -8.57 -0.3 -1
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385046 134978199 1 PO5F12H24C34 AB5C12D24E34 -718.56 9.78 0.0 0.0 0
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385048 134978206 8 OC3H4 AB3C4 -297.11 4.79 -10.09 0.23 0
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385049 134978208 1 P2O7C12H26 A2B7C12D26 -473.32 5.28 -10.28 0.36 0
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385050 134978211 1 P3S3N5C10O10H16 A3B3C5D10E10F16 -575.03 2.41 -9.88 -1.26 0
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385051 134978212 1 NPO5C17H38 ABC5D17E38 -315.15 12.64 -9.38 -0.29 -2
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385052 134978215 2 NPC8O8H12 ABC8D8E12 -693.57 4.62 -9.8 -2.35 0
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385053 134978216 1 ClPO4C17H20 ABC4D17E20 -219.57 2.29 -9.28 -0.04 0
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385054 134978217 1 ClPO4C15H16 ABC4D15E16 -202.83 2.43 -9.62 -0.22 -2
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385055 134978220 1 SP2N5O10C11H15 AB2C5D10E11F15 -440.5 15.72 -9.31 -1.95 1
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385056 134978221 1 SP2N5O10C11H18 AB2C5D10E11F18 -498.39 9.66 0.0 0.0 0
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385057 134978225 1 Br2P3N5C11O12H16 A2B3C5D11E12F16 -636.35 9.84 -9.43 -0.99 0
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385058 134978228 1 NPO5C21H46 ABC5D21E46 -337.47 11.7 -9.36 -0.08 1
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385059 134978229 1 NPO5C21H47 ABC5D21E47 -328.25 5.19 0.0 0.0 -2
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385060 134978231 1 PS2N5O6C16H24 AB2C5D6E16F24 -226.2 3.91 -8.68 -1.81 -3
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385061 134978234 1 SP2N3C9O9H12 AB2C3D9E9F12 -402.7 2.5 0.0 0.0 0
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385062 134978236 1 NPO5C23H50 ABC5D23E50 -349.77 13.57 -9.41 -0.24 0
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385063 134978239 1 NPO5C16H36 ABC5D16E36 -315.07 12.6 -9.2 -0.17 0
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385064 134978241 1 PSN3O8H42C44 ABC3D8E42F44 -236.65 3.6 -8.54 -0.9 0
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385065 134978242 1 PSN3O8H42C44 ABC3D8E42F44 -238.68 5.89 -8.77 -0.86 0
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385066 134978246 1 PS2O5C23H29 AB2C5D23E29 -268.15 1.63 -9.18 -0.58 0
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385067 134978247 1 PS2O5C23H29 AB2C5D23E29 -260.69 3.08 -9.07 -0.55 0
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385068 134978250 1 PO2S2C12H15 AB2C2D12E15 -119.85 5.41 -9.51 -0.75 0
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385069 134978256 1 OC11H18 AB11C18 -12.79 2.89 -9.18 -0.33 0
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385070 134978258 1 OH20C24 AB20C24 95.43 1.44 -7.98 -0.84 0
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385071 134978259 1 O3C20H24 A3B20C24 -19.63 1.36 -9.99 0.72 0