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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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138638 52399111 1 NO2C17H26 AB2C17D26 -67.4 4.04 0.0 0.0 1
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138639 52399157 1 O2S2N7H16C20 A2B2C7D16E20 131.74 11.22 0.0 0.0 1
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138640 52399187 1 N2O2C21H35 A2B2C21D35 -79.03 0.85 0.0 0.0 0
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138641 52399535 1 SO2N5C16H19 AB2C5D16E19 -11.22 4.12 -9.22 -1.51 1
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138642 52399554 1 OSN3C18H28 ABC3D18E28 10.46 6.07 0.0 0.0 0
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138643 52399578 1 FON4H21C23 ABC4D21E23 39.43 3.65 -8.91 -0.52 0
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138644 52399644 1 FOSN2C22H23 ABCD2E22F23 -41.4 5.15 -9.27 -0.42 0
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138645 52399645 1 FOSN2C22H23 ABCD2E22F23 -39.94 4.84 -9.12 -0.27 0
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138646 52399689 1 SO3N5C16H17 AB3C5D16E17 -75.0 2.08 -8.72 -0.56 0
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138647 52400079 1 N3O4C18H23 A3B4C18D23 -75.05 4.76 -8.68 -0.4 0
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138648 52400321 1 O2N3C18H23 A2B3C18D23 -42.66 4.84 -9.1 -0.37 1
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138649 52400495 1 O3N4C17H23 A3B4C17D23 -81.2 4.43 0.0 0.0 0
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138650 52401040 1 N3O3C21H31 A3B3C21D31 -95.85 3.27 -8.58 -0.68 0
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138651 52401150 1 BrON5H16C19 ABC5D16E19 82.52 1.05 -9.19 -1.14 0
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138652 52401151 1 O4N5C22H23 A4B5C22D23 -26.32 6.82 -8.34 -0.78 1
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138653 52401793 1 OSN3C20H26 ABC3D20E26 47.58 7.11 0.0 0.0 0
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138654 52402417 1 F2N2O3H14C17 A2B2C3D14E17 -101.77 5.38 -9.21 -1.56 0
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138655 52402617 1 NO4C18H23 AB4C18D23 -155.66 4.03 -9.07 0.12 0
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138656 52402618 1 NO4C18H23 AB4C18D23 -155.05 5.76 -9.21 -0.05 -3
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138657 52402844 1 N2O5H9C13 A2B5C9D13 -94.26 9.21 0.0 0.0 -2
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138658 52402917 1 NSO6H19C23 ABC6D19E23 -69.06 42.51 -7.71 -3.6 1
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138659 52402918 1 N2O3C22H35 A2B3C22D35 -111.57 4.53 0.0 0.0 0
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138660 52402975 2 ON2C12H14 AB2C12D14 -24.38 4.98 -9.22 -0.37 0
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138661 52402976 1 SO3N4H16C18 AB3C4D16E18 -70.31 3.62 -8.69 -1.22 0
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138662 52403054 1 NOF7C18H24 ABC7D18E24 -389.68 4.03 -9.18 0.29 0