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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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139438 52531064 1 ON3S3C16H16 AB3C3D16E16 71.4 3.49 0.0 0.0 -1
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139439 52531165 1 NSO6H14C16 ABC6D14E16 -171.62 5.33 0.0 0.0 -1
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139440 52531192 1 NSCl2O5H10C14 ABC2D5E10F14 -154.07 6.94 0.0 0.0 0
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139441 52531359 1 FN3O4C23H28 AB3C4D23E28 -172.76 5.91 -8.88 -0.44 0
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139442 52531750 1 N3O4C22H25 A3B4C22D25 -77.28 5.8 -8.4 -0.61 0
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139443 52531751 1 N3O4C22H25 A3B4C22D25 -79.83 3.83 -8.29 -0.55 0
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139444 52531752 2 N2O2C9H12 A2B2C9D12 -158.55 5.56 -8.97 -0.22 0
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139445 52531950 1 ClO2N3C20H24 AB2C3D20E24 -69.44 6.73 -9.34 -0.8 0
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139446 52531951 1 ClO2N3C20H24 AB2C3D20E24 -62.92 3.28 -9.64 -1.03 0
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139447 52531952 1 ClN2O2S2H17C18 AB2C2D2E17F18 -15.06 3.13 -9.17 -0.76 0
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139448 52532183 1 N2S2O3H18C19 A2B2C3D18E19 -41.84 2.44 -8.75 -0.81 0
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139449 52532184 1 ON2S2C20H22 AB2C2D20E22 13.24 3.4 -8.69 -0.76 -1
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139450 52532514 1 OSN7H12C17 ABC7D12E17 152.55 10.16 0.0 0.0 0
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139451 52532542 1 FN2O2C22H23 AB2C2D22E23 -97.87 3.74 -8.51 -0.16 1
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139452 52532820 1 ClO3N4C16H20 AB3C4D16E20 9.12 11.0 0.0 0.0 0
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139453 52533168 1 ClN2O5C17H27 AB2C5D17E27 -212.68 8.05 -8.6 -0.2 0
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139454 52533272 1 O2N3C21H21 A2B3C21D21 3.48 4.24 -9.43 -0.64 0
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139455 52533672 1 NSO5C19H27 ABC5D19E27 -211.8 8.13 -9.28 -0.24 0
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139456 52533673 1 SN3O3C19H27 AB3C3D19E27 -91.48 5.24 -9.04 -0.09 0
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139457 52533724 1 SN2F3O3C21H21 AB2C3D3E21F21 -231.32 6.42 -9.01 -1.02 0
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139458 52533725 1 SN2F3O3C21H21 AB2C3D3E21F21 -235.4 3.84 -8.87 -0.84 0
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139459 52534339 1 ClSO2N3C19H20 ABC2D3E19F20 -25.7 6.9 -8.84 -0.26 0
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139460 52534611 1 SF3N3O3C19H20 AB3C3D3E19F20 -241.19 10.05 -9.24 -0.75 0
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139461 52534950 1 BrN3O3C16H24 AB3C3D16E24 -145.26 6.62 -10.03 -0.25 0
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139462 52535482 1 FN2O2C22H23 AB2C2D22E23 -81.98 1.65 -8.56 -0.36 0