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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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185499 77306312 1 O2N8C24H27 A2B8C24D27 57.23 2.42 0.0 0.0 0
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185500 77306325 1 O8H26C27 A8B26C27 -258.73 6.12 -9.15 -0.58 0
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185501 77306711 1 INO3C16H20 ABC3D16E20 -111.36 6.01 -9.65 -0.88 -1
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185502 77307037 1 ClNS2O4H17C21 ABC2D4E17F21 -59.41 6.98 0.0 0.0 0
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185503 77307038 1 ClNS2O4H18C21 ABC2D4E18F21 -76.34 4.39 -9.27 -1.1 0
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185504 77307039 1 FNSO5H20C23 ABCD5E20F23 -182.19 7.55 -9.53 -1.34 0
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185505 77307307 1 NO2C6H7 AB2C6D7 -8.3 5.98 -9.43 -0.07 0
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185506 77308516 2 ClNOC8H12 ABCD8E12 -132.83 5.09 -9.08 -0.31 0
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185507 77308585 1 O2N4C9H16 A2B4C9D16 -65.42 5.27 -9.32 0.2 0
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185508 77308586 1 N3O4C17H25 A3B4C17D25 -169.43 2.18 -9.02 -0.19 0
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185509 77308621 1 NO4C27H29 AB4C27D29 -125.62 6.44 -8.67 -0.63 0
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185510 77308736 1 N2O5C21H22 A2B5C21D22 -106.59 2.2 -8.97 -0.26 0
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185511 77308837 1 BrN4O4C17H25 AB4C4D17E25 -157.81 4.0 -9.52 -0.78 0
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185512 77308838 1 SN3O3C10H15 AB3C3D10E15 -97.96 5.68 -9.43 -0.77 0
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185513 77308839 1 SCl2O3N4C18H26 AB2C3D4E18F26 -124.21 3.36 -9.16 -0.64 0
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185514 77308840 1 N4O4C17H22 A4B4C17D22 -134.83 6.08 -9.77 -0.87 0
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185515 77308966 1 Cl2O2N3C18H19 A2B2C3D18E19 -55.35 5.75 -9.28 -1.17 0
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185516 77308967 1 ClIO2F3N5C28H32 ABC2D3E5F28G32 -176.77 4.28 -9.39 -1.14 0
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185517 77308969 1 SN3O4C30H31 AB3C4D30E31 -103.38 8.54 -8.28 -0.82 0
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185518 77309030 1 ClNO6C19H28 ABC6D19E28 -280.62 4.89 -8.51 -0.2 0
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185519 77309031 1 ClN4C24H25 AB4C24D25 62.95 3.12 -8.35 -0.48 0
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185520 77309032 1 SN2O6C22H32 AB2C6D22E32 -260.62 6.49 -8.91 -0.26 0
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185521 77309477 1 BrFN3O4C29H35 ABC3D4E29F35 -193.72 4.61 -8.3 -0.32 0
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185522 77309671 1 N4O4H20C21 A4B4C20D21 -62.94 5.14 -9.44 -1.0 0
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185523 77309675 1 N2O5C25H30 A2B5C25D30 -157.02 6.8 -7.86 0.03 0