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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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195395 78681949 1 N3O5C19H23 A3B5C19D23 -187.17 6.48 -9.49 -0.91 0
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195396 78681950 1 SN2O4C22H24 AB2C4D22E24 -107.56 7.48 -8.39 -0.95 0
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195397 78681951 1 NO6H21C22 AB6C21D22 -173.0 5.26 -9.15 -0.81 0
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195398 78681952 1 ClSN2O4C20H21 ABC2D4E20F21 -115.65 6.57 -8.85 -0.8 0
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195399 78681953 1 N3O5C19H25 A3B5C19D25 -196.53 4.12 -8.95 -0.56 0
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195400 78681954 2 NO2C11H14 AB2C11D14 -155.84 5.68 -9.26 -0.5 0
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195401 78681955 1 O4N5C21H23 A4B5C21D23 -83.17 7.46 -9.11 -1.11 0
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195402 78682261 1 ClNO6C21H22 ABC6D21E22 -193.74 4.58 -8.46 -0.93 0
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195403 78682306 1 SO2N3C21H21 AB2C3D21E21 18.44 3.01 -8.53 -1.05 0
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195404 78682307 1 ClSO6H17C18 ABC6D17E18 -162.68 3.92 -8.22 -1.18 0
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195405 78682420 1 NSO4C21H23 ABC4D21E23 -123.49 4.31 -9.09 -1.01 0
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195406 78682523 1 NSO4C17H17 ABC4D17E17 -108.69 7.5 -8.24 -1.37 0
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195407 78682524 1 N3O6C17H19 A3B6C17D19 -197.81 4.83 -8.91 -1.47 0
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195408 78682700 1 N3O7C20H25 A3B7C20D25 -270.04 5.17 -9.17 -0.62 1
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195409 78682805 1 N3O3C17H28 A3B3C17D28 -109.21 7.16 0.0 0.0 0
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195410 78682940 1 NO6C22H23 AB6C22D23 -175.66 1.94 -8.43 -0.48 1
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195411 78683248 1 ON2C14H23 AB2C14D23 -27.12 4.54 0.0 0.0 0
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195412 78683318 1 ClN2O5H15C18 AB2C5D15E18 -90.2 9.92 -9.67 -1.56 0
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195413 78683435 1 Cl2O2N3C14H17 A2B2C3D14E17 -78.36 4.95 -9.04 -0.2 0
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195414 78683481 1 SN3O3C22H35 AB3C3D22E35 -133.19 8.77 -8.9 -0.42 0
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195415 78683482 1 ClNSO4C20H22 ABCD4E20F22 -120.69 3.64 -9.28 -1.28 0
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195416 78683565 1 NO6C24H29 AB6C24D29 -260.18 2.81 -9.56 -0.14 0
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195417 78683634 1 SN3O3H15C20 AB3C3D15E20 -15.91 3.1 -9.06 -1.55 0
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195418 78683810 1 NF4O4H15C20 AB4C4D15E20 -318.98 3.64 -9.15 -1.25 0
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195419 78684171 1 N3O5C18H23 A3B5C18D23 -182.25 6.38 -8.83 0.16 0