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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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401491 135051436 1 O2S2H20C33 A2B2C20D33 150.39 6.4 -8.83 -1.49 0
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401492 135051438 1 OS4C16H26 AB4C16D26 -40.71 1.46 -8.15 -0.76 0
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401493 135051439 1 Cl2S2O5H8C10 A2B2C5D8E10 12.57 13.84 -9.47 -3.66 0
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401494 135051440 1 BrOS3H15C18 ABC3D15E18 32.85 2.75 -8.41 -2.01 0
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401495 135051441 1 O2S3H18C21 A2B3C18D21 -4.92 2.64 -8.15 -1.69 0
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401496 135051444 1 OS2H12C17 AB2C12D17 33.15 3.27 -8.42 -1.37 0
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401497 135051447 1 ClOS2H15C17 ABC2D15E17 10.19 5.75 -8.79 -1.98 0
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401498 135051448 1 ClS2O5H15C17 AB2C5D15E17 26.55 15.23 -9.3 -2.98 0
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401499 135051450 1 O4S4C11H12 A4B4C11D12 -111.4 5.52 -8.7 -2.04 0
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401500 135051453 1 ClON2H15C16 ABC2D15E16 27.59 4.48 -8.39 -0.6 0
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401501 135051459 1 LiNH12C14 ABC12D14 68.69 7.29 -7.37 0.6 0
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401502 135051466 1 SiO3C23H26 AB3C23D26 -110.7 2.43 -9.66 -0.76 1
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401503 135051472 1 N2S2C21H31 A2B2C21D31 9.35 7.58 0.0 0.0 0
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401504 135051474 1 SSeH4C5 ABC4D5 58.22 4.38 -8.17 -2.07 0
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401505 135051477 1 OPC33H41 ABC33D41 25.44 1.81 -8.11 -0.55 0
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401506 135051478 2 BrO2H4C7 AB2C4D7 -74.73 1.87 -8.99 -0.55 0
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401507 135051479 1 BrNC17H18 ABC17D18 72.68 12.16 -8.39 -1.27 1
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401508 135051486 1 N2O2C11H11 A2B2C11D11 1.99 2.58 0.0 0.0 0
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401509 135051491 1 ClS2O4C12H13 AB2C4D12E13 35.37 14.9 -10.13 -2.9 1
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401510 135051495 1 NSe2C7H10 AB2C7D10 38.59 3.65 0.0 0.0 0
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401511 135051496 1 ClNS2O4C7H10 ABC2D4E7F10 27.56 14.4 -9.43 -2.52 0
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401512 135051499 1 S5H10C12 A5B10C12 73.61 6.63 -8.13 -2.3 0
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401513 135051500 1 BrNPH21C25 ABCD21E25 59.09 1.69 -8.46 -0.22 1
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401514 135051501 1 NPH21C25 ABC21D25 94.77 5.56 0.0 0.0 0
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401515 135051502 1 OSN2C14H18 ABC2D14E18 -9.38 3.58 -8.14 -0.37 0
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401516 135051503 1 N2O3H18C19 A2B3C18D19 27.1 4.89 -9.32 -1.5 0
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401517 135051504 2 PC16H30 AB16C30 -97.23 6.39 -5.58 2.37 0
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401518 135051505 1 LiNO2H14C15 ABC2D14E15 -42.27 5.48 -8.13 -0.66 0
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401519 135051506 1 NO2C15H15 AB2C15D15 -24.9 2.43 -9.01 -0.66 0
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401520 135051507 1 NOS2H9C13 ABC2D9E13 27.29 2.61 -8.87 -1.6 0
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401521 135051508 1 OS2C7H8 AB2C7D8 -28.53 3.85 -8.27 -1.3 0
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401522 135051509 1 OS2H12C13 AB2C12D13 -7.2 3.77 -8.29 -1.33 1
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401523 135051510 1 S4H5C7 A4B5C7 97.73 0.34 0.0 0.0 0
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401524 135051511 1 S4H6C7 A4B6C7 89.45 0.74 -8.94 -2.0 0
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401525 135051512 2 O3C9H11 A3B9C11 -222.68 5.0 -8.38 -0.42 0
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401526 135051520 1 N2S2C17H18 A2B2C17D18 68.57 3.36 -8.53 -0.68 0
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401528 135051523 1 SO2C12H22 AB2C12D22 -117.36 2.26 -8.32 0.34 0
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401529 135051524 1 PBr2H13C18 AB2C13D18 49.73 0.6 -9.31 -1.03 1
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401530 135051526 1 O2H15C21 A2B15C21 36.3 2.64 0.0 0.0 0
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401531 135051532 1 ClNOH18C20 ABCD18E20 31.62 2.99 -8.04 -0.26 0
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401532 135051534 1 ClS2O4C11H17 AB2C4D11E17 -11.1 13.91 -10.03 -3.02 0
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401533 135051535 1 ClS2O4C13H13 AB2C4D13E13 33.93 11.32 -10.06 -3.66 0
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401534 135051537 1 OBr4H10C15 AB4C10D15 37.18 4.09 -9.69 -1.68 0
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401535 135051538 1 O2S2C11H12 A2B2C11D12 -27.98 4.39 -8.68 -1.1 0
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401536 135051541 1 ClO2S2H15C17 AB2C2D15E17 -21.54 6.23 -8.78 -1.9 0
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401537 135051543 1 S2O5H12C13 A2B5C12D13 -173.12 7.07 -8.49 -1.08 1
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401538 135051557 1 NSO2C11H12 ABC2D11E12 -36.82 4.48 0.0 0.0 0
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401539 135051578 1 OS2C8H8 AB2C8D8 -24.62 3.84 -8.34 -1.3 0
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401540 135051590 1 INO2C15H18 ABC2D15E18 -45.89 5.56 -9.11 -1.26 0
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401541 135051591 1 IN2O4C15H17 AB2C4D15E17 -46.04 8.34 -9.06 -1.76 0
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401542 135051593 1 NSSiF3O4C17H18 ABCD3E4F17G18 -252.1 6.42 -8.87 -1.5 0
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401543 135051595 1 SiN2O2C19H22 AB2C2D19E22 -52.73 5.34 -9.06 -0.15 0
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401544 135051597 1 BrClOSeH8C11 ABCDE8F11 -15.83 2.12 -8.77 -0.77 0
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401546 135051601 4 H5C7 A5B7 123.14 0.4 -8.64 -0.65 0
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401547 135051602 1 SH16C24 AB16C24 110.16 0.87 -8.42 -0.57 0
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401548 135051603 1 ClSN2O3H11C13 ABC2D3E11F13 -2.1 5.75 -8.74 -1.52 0
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401549 135051605 1 NF3O4C18H18 AB3C4D18E18 -272.94 4.71 -8.96 -0.54 0
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401550 135051609 1 ClNOC13H16 ABCD13E16 -34.02 3.59 -8.98 -0.01 0
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401551 135051611 1 ClNO2C10H12 ABC2D10E12 -69.21 4.19 -8.82 -0.41 0
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401552 135051613 1 NPSO2H26C31 ABCD2E26F31 30.38 4.45 -8.32 -1.08 0
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401553 135051614 1 BrSeN2O4H7C12 ABC2D4E7F12 35.63 3.88 -9.36 -2.92 0
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401554 135051615 1 ClOSeH13C16 ABCD13E16 -17.61 3.22 -8.39 -0.68 0
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401555 135051616 1 SeO4H16C19 AB4C16D19 -110.22 4.22 -8.57 -1.18 0
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401556 135051627 1 NF3O3H18C26 AB3C3D18E26 -98.92 7.05 -9.7 -1.4 0
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401557 135051632 1 OTeBr2H14C16 ABC2D14E16 12.89 4.11 -9.11 -1.96 0
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401558 135051633 1 TeO3H8C9 AB3C8D9 -86.81 3.05 -8.99 -0.9 0
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401559 135051642 1 NSO3C17H19 ABC3D17E19 -79.01 6.94 -8.79 -0.23 0
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401560 135051644 1 NO5C18H21 AB5C18D21 -169.53 5.68 -9.02 -0.96 0
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401561 135051652 1 N2O3C19H28 A2B3C19D28 -131.09 3.76 -8.38 0.02 0
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401562 135051653 1 TeO4H8C9 AB4C8D9 -149.0 4.37 -8.59 -1.36 0
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401564 135051656 1 SeO2H12C16 AB2C12D16 -9.6 3.7 -8.39 -0.82 0
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401565 135051657 1 NSeO4C12H13 ABC4D12E13 -59.84 5.1 -9.06 -1.69 0
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401566 135051661 1 NF3O3C18H18 AB3C3D18E18 -227.27 5.27 -9.28 -0.44 0
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401567 135051662 1 NPO2C23H24 ABC2D23E24 -41.03 1.82 -8.45 -0.06 0
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401568 135051663 1 NSiO2C14H19 ABC2D14E19 -66.86 3.33 -8.4 -0.12 0