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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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171628 75408374 1 N2O3C19H26 A2B3C19D26 -119.49 1.62 -9.03 -0.03 0
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171629 75408435 1 N2O3H16C19 A2B3C16D19 -29.62 1.63 -8.56 -0.94 1
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171630 75408513 1 N4H39C43 A4B39C43 163.55 2.34 0.0 0.0 0
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171631 75408709 1 S3N4O4F6H20C27 A3B4C4D6E20F27 -380.02 6.54 -9.35 -2.64 0
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171632 75408883 1 SN2O5C25H30 AB2C5D25E30 -154.73 6.46 -8.66 -1.42 0
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171633 75408901 1 BrClSN2O5H26C31 ABCD2E5F26G31 -91.01 5.04 -9.19 -1.53 0
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171634 75408902 1 SN3O8H29C32 AB3C8D29E32 -129.02 5.4 -8.39 -1.61 0
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171635 75408903 1 BrSN2O7C27H27 ABC2D7E27F27 -189.04 4.92 -8.29 -1.39 0
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171636 75409025 2 INOH9C10 ABCD9E10 27.61 5.57 -8.69 -1.4 0
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171637 75409026 1 SN2O3H16C24 AB2C3D16E24 35.42 5.77 -8.94 -1.12 0
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171638 75409027 1 Cl2N2O3H16C19 A2B2C3D16E19 -46.75 1.84 -9.22 -1.39 0
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171639 75409029 1 N2O3H26C27 A2B3C26D27 -21.5 5.61 -8.58 -1.04 0
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171640 75409114 1 SN4O6H18C25 AB4C6D18E25 -32.72 15.08 -9.28 -1.4 0
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171641 75409238 1 OSN4H28C31 ABC4D28E31 125.15 5.16 -8.64 -1.4 0
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171642 75409431 1 SF2N2O4H20C27 AB2C2D4E20F27 -152.82 2.45 -9.02 -1.51 0
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171643 75409673 1 ClO2S4N5C18H22 AB2C4D5E18F22 28.15 5.97 -8.38 -0.89 0
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171644 75409698 1 NSCl2O4H19C25 ABC2D4E19F25 -70.93 2.45 -8.4 -0.69 0
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171645 75409740 1 SF2N3O5C22H23 AB2C3D5E22F23 -225.31 7.7 -9.43 -1.67 0
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171646 75409741 1 S2N3O7C33H33 A2B3C7D33E33 -145.08 6.77 -8.85 -1.94 0
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171647 75409742 1 S2N3O6C30H35 A2B3C6D30E35 -154.78 5.97 -9.03 -1.94 0
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171648 75410026 1 N2O4C21H22 A2B4C21D22 -97.7 5.28 -9.13 -0.33 0
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171651 75410372 1 N2F3O3C22H23 A2B3C3D22E23 -235.93 5.71 -9.02 -0.32 0
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171652 75410373 1 F3N3O3C25H28 A3B3C3D25E28 -229.73 6.37 -8.76 -0.44 0
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171653 75410551 1 FO2N5C18H24 AB2C5D18E24 -78.39 8.13 -9.26 -0.63 0
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171654 75410552 1 FO2N4C19H21 AB2C4D19E21 -39.28 5.67 -8.86 -0.59 0