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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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139013 52457603 1 ON3C27H32 AB3C27D32 41.76 8.65 0.0 0.0 0
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139014 52457701 2 ClNO2C10H11 ABC2D10E11 -162.98 4.56 -8.91 -0.72 0
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139015 52457726 1 O3N5C27H31 A3B5C27D31 1.25 8.73 -9.36 -0.94 0
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139016 52457967 1 ClN2O6C19H19 AB2C6D19E19 -115.66 4.3 -8.68 -1.57 0
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139017 52458213 1 BrClSN3O3H13C14 ABCD3E3F13G14 -67.59 5.84 -9.16 -1.26 0
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139018 52458865 1 SO2N3C19H31 AB2C3D19E31 -88.15 2.2 -9.01 -0.36 0
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139019 52459278 1 SN3O4C20H27 AB3C4D20E27 -142.49 3.22 -9.4 -0.78 0
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139020 52459476 1 ClN2O4C21H21 AB2C4D21E21 -97.1 3.27 -8.91 -0.59 0
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139021 52460685 1 ClN2O2C15H23 AB2C2D15E23 -112.87 3.12 -9.36 -0.17 0
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139022 52460686 1 ClN2O2C15H23 AB2C2D15E23 -111.93 2.36 -9.47 -0.23 2
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139023 52460731 1 O2N5C25H37 A2B5C25D37 -8.68 14.94 -4.95 -0.31 0
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139024 52460745 1 N2S2O3C16H16 A2B2C3D16E16 -42.65 3.61 -9.17 -1.53 0
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139025 52460955 1 N2O3C19H28 A2B3C19D28 -138.16 4.71 -9.32 0.01 0
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139026 52461222 1 O2N3C21H21 A2B3C21D21 -1.01 9.36 -8.56 -0.29 0
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139027 52461257 1 ClFSN3O3C21H27 ABCD3E3F21G27 -108.56 21.37 -6.95 -1.03 0
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139028 52461774 1 ClO2N3C14H14 AB2C3D14E14 -54.67 10.81 -9.28 -0.83 0
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139029 52462118 1 O3N4C14H18 A3B4C14D18 -100.93 3.77 -8.67 -0.38 0
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139030 52462119 1 O3N4C14H18 A3B4C14D18 -101.06 3.56 -8.69 -0.39 0
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139031 52462120 4 NOC5H5 ABC5D5 -27.73 9.65 -9.07 -1.1 0
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139032 52462121 1 N3O3C21H23 A3B3C21D23 -81.93 3.89 -8.65 -0.45 0
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139033 52462148 1 OSN3H17C20 ABC3D17E20 55.27 3.86 -8.36 -0.91 0
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139034 52462160 1 ON7H17C22 AB7C17D22 150.65 5.65 -8.54 -1.66 0
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139035 52462920 1 SN2O4C18H20 AB2C4D18E20 -121.28 5.21 -8.75 -0.67 0
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139036 52463514 1 NO5H17C18 AB5C17D18 -166.14 5.26 -8.99 -1.06 1
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139037 52463655 1 ON2C23H29 AB2C23D29 13.14 2.13 0.0 0.0 0