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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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337443 127257128 2 ClOH5C7 ABC5D7 -48.21 4.23 -9.33 -0.83 0
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337444 127257129 1 OSN2C13H14 ABC2D13E14 23.36 6.5 -7.99 -1.16 0
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337445 127257130 1 NO2C20H25 AB2C20D25 -34.56 2.87 -8.87 -0.5 0
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337446 127257131 1 BrSN3O3H18C19 ABC3D3E18F19 14.22 5.26 -8.91 -2.95 0
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337447 127257132 1 BrFNO2H17C18 ABCD2E17F18 -65.31 3.27 -9.12 -0.71 0
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337448 127257133 1 BrNO3C21H22 ABC3D21E22 -79.54 5.78 -8.03 -0.82 0
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337449 127257134 2 NOC13H18 ABC13D18 -60.29 2.6 -8.68 0.0 0
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337450 127257135 1 ClNOC21H28 ABCD21E28 -47.41 1.01 -8.7 -0.29 0
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337451 127257136 1 ClO3H15C16 AB3C15D16 -97.5 4.52 -9.13 -0.55 0
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337452 127257137 1 ClNC16H16 ABC16D16 53.97 2.69 -9.06 0.03 0
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337453 127257138 2 BrNH3C5 ABC3D5 65.52 1.24 -9.92 -1.34 0
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337454 127257139 1 SO2N5C12H19 AB2C5D12E19 5.88 3.52 -9.03 -1.0 0
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337455 127257140 2 ON2C11H11 AB2C11D11 -3.29 3.48 -9.28 -1.37 0
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337456 127257141 1 ON2C28H38 AB2C28D38 22.43 2.93 -9.45 -0.27 0
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337457 127257142 1 O11C19H36 A11B19C36 -380.35 4.44 -9.83 -0.69 0
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337458 127257143 2 NO3C14H28 AB3C14D28 -298.37 2.73 -8.75 1.65 0
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337459 127257144 1 N2O3H14C15 A2B3C14D15 -39.17 3.43 -9.12 -1.63 0
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337460 127257145 1 OC17H30 AB17C30 -59.27 1.99 -9.48 1.16 0
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337461 127257146 1 ON5C9H15 AB5C9D15 -9.37 8.29 -8.09 -0.07 0
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337462 127257147 1 ON5H17C18 AB5C17D18 58.59 8.04 -8.24 -0.26 0
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337463 127257148 1 NOC17H25 ABC17D25 -46.87 8.38 -8.63 0.44 0
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337464 127257149 1 ClN2O5C18H19 AB2C5D18E19 25.05 3.57 -9.27 -5.14 0
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337465 127257150 1 N2O2F3H9C15 A2B2C3D9E15 -150.2 6.65 -8.51 -2.1 0
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337466 127257151 1 BrN3O4C12H12 AB3C4D12E12 -120.98 3.72 -8.84 -3.4 0
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337467 127257152 1 BrNO3C8H8 ABC3D8E8 -106.53 6.28 -9.46 -1.64 0
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337468 127257153 1 N2O3H12C18 A2B3C12D18 -7.22 11.59 -8.17 -1.73 0
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337469 127257154 1 N5C10H11 A5B10C11 86.0 3.3 -9.32 -0.74 0
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337470 127257155 1 N4C11H12 A4B11C12 79.49 1.84 -8.72 -0.53 0
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337471 127257156 1 ClN4C9H9 AB4C9D9 70.37 3.77 -9.3 -1.07 0
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337472 127258095 1 Sn2C27H58 A2B27C58 -62.21 0.08 -9.21 0.95 0
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337473 127258096 1 PO4C22H29 AB4C22D29 -205.87 4.83 -8.77 -0.43 0
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337474 127258097 1 PO4C24H33 AB4C24D33 -223.36 5.43 -8.45 -0.21 0
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337475 127258098 1 PO4C34H37 AB4C34D37 -163.13 2.67 -8.23 -0.54 0
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337476 127258099 1 PO4C26H31 AB4C26D31 -193.01 4.42 -8.36 -0.67 0
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337477 127258100 1 PO4C23H31 AB4C23D31 -213.18 5.59 -8.64 -0.41 0
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337478 127258101 1 PO4C35H39 AB4C35D39 -164.28 5.37 -8.69 -0.57 0
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337479 127258102 1 PO4C25H33 AB4C25D33 -205.53 2.27 -8.69 -0.46 0
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337480 127258103 1 PO4C22H29 AB4C22D29 -216.04 3.12 -8.82 -0.24 0
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337481 127258104 1 PO3C23H31 AB3C23D31 -182.26 3.24 -9.0 -0.24 0
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337482 127258105 1 PO3C26H37 AB3C26D37 -185.94 4.46 -8.99 0.19 0
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337483 127258106 1 PO3C26H37 AB3C26D37 -196.12 2.37 -8.9 -0.18 0
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337484 127258107 1 PO4C23H31 AB4C23D31 -210.81 4.43 -8.7 -0.22 0
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337485 127258108 1 PF3O3C23H28 AB3C3D23E28 -336.58 5.67 -9.7 -0.5 0
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337486 127258109 1 NPO5C22H28 ABC5D22E28 -180.02 8.07 -9.84 -1.09 0
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337487 127258110 1 PO3C23H31 AB3C23D31 -184.25 2.56 -9.07 -0.2 0
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337488 127258111 1 PO4C23H31 AB4C23D31 -212.21 4.76 -9.0 -0.33 0
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337489 127258112 1 NPO5C22H28 ABC5D22E28 -176.15 7.89 -9.73 -1.29 0
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337490 127258113 1 PO4C30H45 AB4C30D45 -264.02 0.81 -8.48 -0.13 0
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337491 127258114 1 PO3C26H31 AB3C26D31 -130.25 4.72 -8.54 -0.42 0
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337492 127258115 1 PO5C12H19 AB5C12D19 -287.59 2.11 -8.35 -0.2 0
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337493 127258116 1 PO5C12H19 AB5C12D19 -285.18 2.03 -8.24 -0.28 0
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337494 127258117 1 PO5C18H31 AB5C18D31 -305.77 2.15 -8.27 -0.16 0
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337495 127258118 1 PO5C22H23 AB5C22D23 -208.66 5.04 -8.38 -0.53 2
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337496 127258119 2 PO3C11H11 AB3C11D11 -193.69 17.54 -7.12 -2.18 0
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337497 127258120 1 PF3O3C26H34 AB3C3D26E34 -371.52 3.79 -9.51 -0.39 0
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337498 127258121 1 PO3C26H31 AB3C26D31 -131.83 3.17 -8.8 -0.01 0
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337499 127258122 1 PO5C12H19 AB5C12D19 -289.4 1.28 -8.58 0.16 0
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337500 127258123 1 PO5C12H19 AB5C12D19 -289.75 3.39 -8.78 0.18 0
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337501 127258124 1 PO5C12H19 AB5C12D19 -290.47 2.05 -8.66 0.14 0
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337502 127258125 1 PO5C22H23 AB5C22D23 -223.81 1.98 -8.77 -0.48 0
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337503 127258126 1 PO5C14H17 AB5C14D17 -253.75 4.37 -8.43 -0.4 0
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337504 127258127 1 PO5C15H19 AB5C15D19 -263.85 3.17 -8.35 -0.39 0
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337505 127258128 1 PO5C15H19 AB5C15D19 -261.31 2.92 -8.36 -0.43 0
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337506 127258129 1 PO4C23H31 AB4C23D31 -209.02 4.63 -8.32 -0.27 0
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337507 127258130 1 PF3O3C23H28 AB3C3D23E28 -336.14 3.33 -9.5 -0.51 0
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337508 127258131 1 NPO5C22H28 ABC5D22E28 -180.06 5.46 -9.74 -1.01 0
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337509 127258132 1 PO3C23H31 AB3C23D31 -183.42 4.5 -8.91 -0.24 0
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337510 127258133 1 PO4C23H31 AB4C23D31 -206.5 4.24 -9.14 0.04 0
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337511 127258134 1 NPO5C22H28 ABC5D22E28 -171.51 6.72 -9.78 -1.55 0
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337512 127258135 1 PO3C26H31 AB3C26D31 -156.58 2.86 -8.5 -0.35 0
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337513 127258136 1 PO3C26H31 AB3C26D31 -148.85 3.55 -8.85 -0.71 0
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337514 127258137 1 PF3O3C26H34 AB3C3D26E34 -371.19 3.35 -9.43 -0.38 0
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337515 127258138 1 PO3C26H31 AB3C26D31 -157.07 2.44 -8.56 -0.32 0
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337516 127258139 1 PO3C25H35 AB3C25D35 -180.18 5.53 -8.87 -0.23 0
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337517 127258140 1 PO3C23H31 AB3C23D31 -170.57 3.56 -9.11 -0.06 1
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337518 127258141 1 PO2C19H30 AB2C19D30 -138.3 3.01 0.0 0.0 0
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337519 127258142 1 PO3C25H35 AB3C25D35 -191.82 3.59 -9.14 0.11 0
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337520 127258143 1 PO4C16H21 AB4C16D21 -230.0 3.03 -8.68 -0.56 0
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337521 127258144 1 PO3C26H31 AB3C26D31 -158.11 3.09 -8.68 -0.57 0
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337522 127258145 1 PO3C25H35 AB3C25D35 -206.02 4.08 -9.12 0.09 0
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337523 127258146 1 PO4C26H37 AB4C26D37 -246.95 4.18 -8.55 0.14 0
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337524 127258147 1 NPO5C23H30 ABC5D23E30 -187.99 5.46 -9.42 -1.38 0
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337525 127258148 1 PO4C14H23 AB4C14D23 -235.59 2.07 -9.34 -0.2 0
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337526 127258149 1 PO3C26H37 AB3C26D37 -191.74 4.67 -8.67 -0.27 0
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337527 127258150 1 PO3C26H37 AB3C26D37 -188.98 3.87 -8.98 0.0 0
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337528 127258151 1 FPO4C12H18 ABC4D12E18 -285.36 4.59 -9.29 -0.57 0
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337529 127258152 1 FPO2H14C18 ABC2D14E18 -85.79 6.48 -8.23 -0.58 0
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337530 127258153 1 Br2P2O8C27H40 A2B2C8D27E40 -485.69 8.58 -8.85 -0.61 0
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337531 127258154 1 PO5C13H21 AB5C13D21 -281.74 4.5 -8.37 -0.24 0
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337532 127258155 1 PO3C26H31 AB3C26D31 -156.05 3.87 -8.85 -0.57 0
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337533 127258156 1 PO2C16H19 AB2C16D19 -88.13 5.41 -9.31 -0.12 0
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337534 127258157 1 ClFNC11H15 ABCD11E15 -72.67 3.05 -9.37 0.11 0
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337535 127258158 2 SN7O8C24H36 AB7C8D24E36 -642.43 10.3 -7.71 -2.77 0
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337536 127258159 1 S2O13N14C48H66 A2B13C14D48E66 -516.86 4.12 -8.45 -1.66 0
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337537 127258160 1 NSO4C14H19 ABC4D14E19 -172.48 7.93 -9.16 -0.32 0
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337538 127258161 1 NSO4C15H21 ABC4D15E21 -171.0 3.43 -9.38 -0.26 0
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337539 127258162 1 ClON3C7H10 ABC3D7E10 -28.04 8.4 -9.98 -0.4 0
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337540 127258163 1 Cl2N3C7H13 A2B3C7D13 -42.15 0.66 -9.28 -0.41 0
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337541 127258164 1 N3O4C17H25 A3B4C17D25 -153.47 4.33 -9.39 -0.36 0
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337542 127258165 1 SN2O3C13H22 AB2C3D13E22 -158.16 5.2 -8.78 0.2 0