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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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425590 135126823 1 S2O3N5C28H37 A2B3C5D28E37 -30.77 7.4 -8.86 -1.08 0
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425591 135126832 2 NSO3C12H12 ABC3D12E12 -169.36 8.19 -9.22 -1.81 0
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425592 135126833 1 SO2N4H16C20 AB2C4D16E20 70.53 7.07 -9.42 -1.17 0
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425593 135126835 1 IO5C25H35 AB5C25D35 -199.67 3.01 -8.78 -2.19 0
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425594 135126836 1 NO3C16H21 AB3C16D21 -134.61 1.86 -8.62 -0.5 0
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425595 135126837 1 Cl2N2O2H14C15 A2B2C2D14E15 -41.29 2.83 -9.48 -0.88 0
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425596 135126840 2 SN2C6H10 AB2C6D10 29.25 4.94 -8.8 0.06 0
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425597 135126890 1 F2N3O6C19H19 A2B3C6D19E19 -306.97 6.44 -9.49 -1.03 0
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425598 135126892 1 F2N4O5C19H20 A2B4C5D19E20 -266.79 9.38 -8.76 -0.91 0
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425599 135126894 1 F3N3O6H18C19 A3B3C6D18E19 -352.21 5.03 -9.54 -1.27 0
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425600 135126911 2 NOC6H9 ABC6D9 -68.6 2.52 -9.28 0.18 0
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425601 135126913 1 ON2C14H14 AB2C14D14 89.52 3.67 -9.02 -1.19 0
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425602 135126916 1 OSN2C16H16 ABC2D16E16 12.76 2.75 -8.33 -0.42 0
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425603 135126926 1 NOC6H13 ABC6D13 -64.56 2.83 -9.43 2.62 0
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425604 135126930 1 S2C17H28 A2B17C28 -12.79 3.27 -8.73 0.56 0
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425605 135126933 1 SN3H29C48 AB3C29D48 244.45 3.75 -8.08 -1.08 0
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425606 135126935 1 O71C120H200 A71B120C200 -3368.74 8.95 -10.03 -0.33 0
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425607 135126937 1 O10C39H44 A10B39C44 -348.16 3.6 -8.82 -0.63 0
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425608 135126939 1 PN4O4C16H23 AB4C4D16E23 -65.15 6.81 -8.77 -0.57 0
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425609 135126951 1 ClN2O4C20H21 AB2C4D20E21 -94.12 3.07 -9.31 -0.53 0
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425610 135126952 1 F3O5C24H29 A3B5C24D29 -373.3 3.93 -9.83 0.12 0
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425611 135126953 1 O5C23H30 A5B23C30 -214.18 2.12 -9.56 0.13 0
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425613 135126955 1 H3N3O3C5 A3B3C3D5 -40.32 5.87 -10.69 -1.93 1
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425614 135126985 1 N3S3O30C79H116 A3B3C30D79E116 -1136.5 14.94 0.0 0.0 0
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425616 135126996 1 SO2C15H24 AB2C15D24 -92.85 2.05 -8.4 0.06 0
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425617 135127011 2 O8C23H37 A8B23C37 -763.11 4.18 -9.24 0.24 0
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425618 135127015 1 FNO2P2C5H10 ABC2D2E5F10 -139.64 2.4 -9.64 0.12 0
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425619 135127018 1 FNPO2C5H9 ABCD2E5F9 -134.07 4.24 -10.04 0.17 0
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425620 135127020 1 N3C8H21 A3B8C21 -10.97 3.08 -8.54 2.6 0
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425621 135127021 1 Cl2N2C13H18 A2B2C13D18 1.62 2.43 -9.57 -0.55 0
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425622 135127023 1 N6O8C29H42 A6B8C29D42 -311.0 3.13 -9.91 -0.83 0
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425623 135127024 1 NO5C22H41 AB5C22D41 -256.34 6.13 -9.54 0.88 0
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425624 135127026 1 NPO3C4H6 ABC3D4E6 -127.32 6.08 -10.32 -0.38 0
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425625 135127027 1 O2C21H22 A2B21C22 -5.78 1.52 -8.58 0.02 0
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425626 135127028 1 ClF3H12C15 AB3C12D15 -121.72 3.42 -9.5 -0.66 0
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425627 135127030 1 NO2C15H25 AB2C15D25 -93.42 2.83 -9.11 0.19 0
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425629 135127032 1 NO4C18H25 AB4C18D25 -189.48 4.16 -8.7 0.16 0
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425630 135127033 1 O6N7C26H37 A6B7C26D37 -212.72 1.5 -9.55 -0.74 0
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425631 135127034 1 NO5C13H27 AB5C13D27 -127.38 1.51 -9.12 0.19 1
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425632 135127035 1 NO5C27H38 AB5C27D38 -180.79 4.24 0.0 0.0 0
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425633 135127037 1 INO3C4H8 ABC3D4E8 -125.31 2.1 -9.59 -2.82 1
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425634 135127038 1 PO5C25H42 AB5C25D42 -251.15 16.7 0.0 0.0 0
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425635 135127046 2 N2O4C19H31 A2B4C19D31 -377.02 3.92 -8.93 -0.63 0
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425636 135127048 2 N2O3C16H30 A2B3C16D30 -330.16 6.62 -8.57 0.03 0
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425637 135127050 1 N3P3O4C13H18 A3B3C4D13E18 -167.84 8.14 -9.44 -0.38 0
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425638 135127051 1 N2O7C20H24 A2B7C20D24 -268.26 4.99 -8.8 -0.4 0
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425639 135127059 1 SO2N3C9H11 AB2C3D9E11 -20.56 3.22 -8.9 -1.16 0
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425640 135127102 1 FO4N5C14H16 AB4C5D14E16 -120.73 1.97 -9.8 -0.52 0
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425641 135127104 1 N5O6C31H59 A5B6C31D59 -340.15 3.1 -9.28 0.67 0
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425642 135127109 1 O4N5C30H57 A4B5C30D57 -254.81 9.44 -8.66 0.77 0