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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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184495 77169114 1 FO2C19H27 AB2C19D27 -62.43 4.81 -9.02 -0.95 0
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184496 77169248 1 SN3O4C15H21 AB3C4D15E21 -131.81 9.78 -9.35 -0.61 0
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184497 77169694 1 PF3O5N6C23H28 AB3C5D6E23F28 -347.39 4.6 -9.71 -0.83 0
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184498 77169695 1 NO5C22H31 AB5C22D31 -236.1 3.97 -10.14 -0.46 0
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184499 77169696 1 Cl2N4O13C33H36 A2B4C13D33E36 -431.46 13.72 -9.41 -1.51 0
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184500 77169697 1 PF3O5N7C21H23 AB3C5D7E21F23 -315.68 6.07 -9.63 -1.11 0
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184501 77169948 1 N7C24H35 A7B24C35 62.73 5.59 -8.24 -0.35 0
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184502 77170426 1 N3O7C28H37 A3B7C28D37 -245.32 8.72 -8.48 0.19 0
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184503 77170481 1 OF3N6C25H31 AB3C6D25E31 -128.86 4.88 -9.06 -0.44 0
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184504 77170559 1 O2N5C20H29 A2B5C20D29 -39.83 5.16 -8.65 0.15 0
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184505 77170616 1 O2F3N7H22C23 A2B3C7D22E23 -149.22 4.85 -9.14 -1.26 0
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184506 77170640 2 NO2C26H37 AB2C26D37 -220.35 5.49 -8.83 -0.62 0
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184507 77170988 1 O5C23H38 A5B23C38 -198.13 3.27 -9.88 0.31 0
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184508 77170989 1 F2O2N7C28H37 A2B2C7D28E37 -82.79 6.92 -8.7 -0.58 0
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184509 77170990 1 ClNF3O5H19C26 ABC3D5E19F26 -293.14 5.31 -9.28 -1.14 0
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184510 77171318 1 FN3O5C28H28 AB3C5D28E28 -148.59 0.96 -8.57 -0.88 0
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184511 77171319 1 NF3O3C15H20 AB3C3D15E20 -304.72 3.61 -9.89 -1.16 0
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184512 77171926 1 S2N4O6C27H36 A2B4C6D27E36 -216.88 9.71 -9.62 -0.91 0
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184513 77171927 1 SO4N5C27H41 AB4C5D27E41 -180.92 3.81 -8.65 0.04 0
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184514 77171928 1 ClN2O7C15H25 AB2C7D15E25 -304.14 2.29 -9.79 -0.68 0
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184515 77171929 1 SN2O6C24H26 AB2C6D24E26 -194.56 3.39 -9.24 -1.16 0
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184516 77171930 1 BrN2O4C15H21 AB2C4D15E21 -190.65 6.08 -8.92 -0.41 0
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184517 77171969 1 SN4O6C27H38 AB4C6D27E38 -233.53 7.62 -8.6 -0.15 0
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184518 77171970 1 BrNSiO2C21H34 ABCD2E21F34 -172.44 3.72 -8.7 -0.03 0
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184519 77171971 1 BrNSiO2C21H32 ABCD2E21F32 -121.5 2.6 -7.52 -0.04 0
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184520 77171972 1 O2N3C21H33 A2B3C21D33 -98.04 2.28 -9.14 0.1 0
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184521 77171973 1 SO4N5C29H45 AB4C5D29E45 -188.81 3.83 -8.68 0.02 0
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184522 77171974 1 ClSO3N5C20H26 ABC3D5E20F26 -119.6 2.03 -8.98 -0.94 0
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184523 77172133 1 ClFN2O2C18H26 ABC2D2E18F26 -170.55 9.57 -9.54 -0.24 1
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184524 77172920 1 O5N7C22H24 A5B7C22D24 -13.28 8.49 0.0 0.0 0
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184525 77172921 1 OSCl2F3N4H15C20 ABC2D3E4F15G20 -110.63 5.22 -8.86 -1.15 0
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184526 77172922 1 ClO4N5C25H28 AB4C5D25E28 -84.85 9.07 -9.24 -0.95 0
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184527 77172976 1 BrO3C12H15 AB3C12D15 -118.3 5.6 -8.76 -0.31 0
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184528 77173363 1 N2O2C21H32 A2B2C21D32 -109.03 6.06 -8.47 -0.32 0
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184529 77173445 1 N3O4C22H35 A3B4C22D35 -203.77 3.96 -9.38 0.24 0
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184530 77173446 1 N2O3C17H28 A2B3C17D28 -149.48 3.66 -9.08 0.37 0
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184531 77173447 1 NC9H17 AB9C17 -27.89 1.88 -8.9 3.15 0
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184532 77173448 1 OCl2N2C15H26 AB2C2D15E26 -123.49 4.24 -9.16 0.0 0
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184533 77173588 1 SO5C20H20 AB5C20D20 -150.76 8.17 -8.78 -1.45 0
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184534 77173966 1 NOC19H29 ABC19D29 -2.34 1.92 -8.47 0.25 0
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184535 77174088 1 N2O3C23H34 A2B3C23D34 -89.77 5.37 -8.0 0.17 0
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184536 77174206 1 O2F3N7C16H20 A2B3C7D16E20 -179.19 6.55 -8.86 -0.4 0
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184537 77174257 1 NO2C19H27 AB2C19D27 -86.32 1.37 -8.39 -0.14 0
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184538 77174598 1 BNSO2C4H6 ABCD2E4F6 -128.52 2.71 -9.57 -0.6 0
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184539 77174799 1 BrN2O2F3H6C11 AB2C2D3E6F11 -176.66 3.66 -9.52 -1.49 0
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184540 77174800 1 SN2O2C12H16 AB2C2D12E16 -71.37 4.02 -8.88 -0.95 0
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184541 77174801 1 BrSC11H17 ABC11D17 -2.19 2.16 -9.28 -0.33 0
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184542 77174802 1 NOC10H11 ABC10D11 7.28 1.46 -8.21 -0.29 0
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184543 77174803 1 ClSN2O3H15C17 ABC2D3E15F17 -70.61 3.45 -8.65 -1.14 0
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184544 77174804 1 SN2O3H14C17 AB2C3D14E17 -34.91 5.43 -8.46 -1.06 0