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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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132511 51372971 1 ON2H15C18 AB2C15D18 54.56 2.79 0.0 0.0 0
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132512 51373107 2 N2H8C9 A2B8C9 121.46 5.56 -9.25 -0.96 0
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132513 51373237 1 FON4H15C18 ABC4D15E18 41.4 6.1 -9.16 -1.01 0
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132514 51373238 1 FON4H15C18 ABC4D15E18 41.2 6.1 -9.16 -0.99 1
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132515 51374054 1 O4N5H14C15 A4B5C14D15 12.67 2.45 0.0 0.0 -1
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132516 51374055 1 N3O3H12C16 A3B3C12D16 -24.47 8.38 0.0 0.0 1
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132517 51374056 1 N2O2C18H19 A2B2C18D19 -19.18 2.64 0.0 0.0 0
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132518 51374245 1 NO2C11H15 AB2C11D15 -54.86 10.29 -9.26 -0.26 0
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132519 51374423 1 N5C16H19 A5B16C19 75.13 3.39 -8.64 -0.57 1
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132520 51374526 1 NOH12C13 ABC12D13 20.85 1.86 0.0 0.0 -1
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132521 51374625 1 OSN3C16H18 ABC3D16E18 39.66 6.01 0.0 0.0 -1
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132522 51374626 1 N2S2O3C14H15 A2B2C3D14E15 -55.89 2.46 0.0 0.0 1
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132523 51374633 1 FN2H20C21 AB2C20D21 38.7 7.73 0.0 0.0 1
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132524 51374634 1 FN2H20C21 AB2C20D21 38.78 7.75 0.0 0.0 -1
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132525 51374635 1 OSN2H11C13 ABC2D11E13 42.96 6.95 0.0 0.0 1
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132526 51375018 1 N2O2C17H21 A2B2C17D21 -67.67 1.51 0.0 0.0 -1
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132527 51375145 1 NPO4C11H15 ABC4D11E15 -168.0 6.9 0.0 0.0 -1
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132528 51375377 1 N2O3S3H11C13 A2B3C3D11E13 -12.22 9.61 0.0 0.0 0
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132529 51375378 1 ClON5H14C17 ABC5D14E17 106.87 9.01 -9.4 -1.38 -1
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132530 51375434 1 ClNO3H21C22 ABC3D21E22 -50.23 4.99 0.0 0.0 -1
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132531 51375446 1 N2O3H23C24 A2B3C23D24 -29.9 6.84 0.0 0.0 -1
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132532 51375447 1 BrN2O3H18C22 AB2C3D18E22 -13.6 2.83 0.0 0.0 -1
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132533 51375448 1 BrN2O3H18C22 AB2C3D18E22 -13.49 2.44 0.0 0.0 -1
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132534 51375449 1 N2O3C25H25 A2B3C25D25 -35.74 6.74 0.0 0.0 -1
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132535 51375450 1 N2O3C25H25 A2B3C25D25 -35.68 6.82 0.0 0.0 1
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132536 51375451 1 OBr2N3C26H28 AB2C3D26E28 47.71 4.03 0.0 0.0 1
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132537 51375452 1 OBr2N3C26H28 AB2C3D26E28 56.9 3.64 0.0 0.0 -1
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132538 51375908 1 NBr2O2H14C16 AB2C2D14E16 -9.56 5.59 0.0 0.0 -1
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132539 51375933 1 SN3O5H18C22 AB3C5D18E22 -7.12 5.89 0.0 0.0 1
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132540 51376140 1 SN4O4C24H29 AB4C4D24E29 -87.31 3.84 0.0 0.0 1
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132541 51376141 1 SN4O4C24H29 AB4C4D24E29 -84.44 4.01 0.0 0.0 -1
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132542 51376711 1 N2O4C21H29 A2B4C21D29 -158.24 2.48 0.0 0.0 -2
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132543 51376759 1 NS2O4C21H21 AB2C4D21E21 -13.43 6.66 -8.44 -3.71 -1
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132544 51376876 1 NBr4H4O4C15 AB4C4D4E15 -27.29 2.68 0.0 0.0 0
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132545 51376877 1 ON5C24H39 AB5C24D39 -25.91 3.08 -8.52 -0.17 -1
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132546 51377260 1 SO4N5H22C23 AB4C5D22E23 -40.33 8.64 0.0 0.0 0
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132547 51377651 1 O3N4H24C25 A3B4C24D25 15.08 2.4 -9.35 -1.37 0
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132548 51377668 1 FSO3N4H23C27 ABC3D4E23F27 12.06 0.77 -8.69 -1.22 1
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132549 51377873 1 BrOF3N3H10C14 ABC3D3E10F14 -119.45 7.04 0.0 0.0 1
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132550 51377874 1 O4N8C21H23 A4B8C21D23 54.64 3.93 0.0 0.0 -1
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132551 51377921 1 S2Cl3N3O5H17C20 A2B3C3D5E17F20 -99.78 9.27 0.0 0.0 -1
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132552 51377985 1 FSN2O5C19H20 ABC2D5E19F20 -171.78 4.08 0.0 0.0 -1
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132553 51378270 1 SN4O5H13C15 AB4C5D13E15 -36.38 5.27 0.0 0.0 -1
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132554 51378306 1 SN2O6H15C21 AB2C6D15E21 -104.96 4.16 0.0 0.0 1
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132555 51378352 1 FON5C24H25 ABC5D24E25 51.6 9.46 0.0 0.0 -1
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132556 51378353 1 FN2O3H20C23 AB2C3D20E23 -49.0 20.19 0.0 0.0 -1
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132557 51378354 1 FN2O3H20C23 AB2C3D20E23 -49.0 20.21 0.0 0.0 -1
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132558 51378355 1 FN2O3H20C23 AB2C3D20E23 -40.1 26.65 0.0 0.0 0
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132559 51378356 1 O2F4N4H14C19 A2B4C4D14E19 -165.89 6.86 -9.47 -1.23 -1
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132560 51378612 1 BrFNO4H18C22 ABCD4E18F22 -107.29 8.47 0.0 0.0 0
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132561 51379367 1 SN3O3H29C32 AB3C3D29E32 -3.09 7.3 -8.84 -1.31 -1
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132562 51379557 1 FSN2O3H8C15 ABC2D3E8F15 -25.13 3.03 0.0 0.0 -1
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132563 51379657 1 SN4O4H29C33 AB4C4D29E33 -17.46 13.41 0.0 0.0 1
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132564 51379669 1 NO3C28H44 AB3C28D44 -131.94 3.45 0.0 0.0 0
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132565 51379676 1 SN3O4H31C33 AB3C4D31E33 -41.5 7.99 -8.55 -1.35 -1
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132566 51379697 1 SN3O3H14C17 AB3C3D14E17 32.42 11.41 0.0 0.0 -1
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132567 51379848 1 SO2N5H12C15 AB2C5D12E15 88.55 2.19 0.0 0.0 0
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132568 51379945 1 SO2N5C22H35 AB2C5D22E35 -79.67 3.72 -8.6 -0.31 0
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132569 51380222 1 NCl2O2H9C15 AB2C2D9E15 -16.95 3.9 -9.46 -1.09 0
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132570 51380475 1 ClN2O2S2H17C19 AB2C2D2E17F19 -8.61 5.98 -8.68 -1.61 -1
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132571 51380615 1 SN2O5H21C27 AB2C5D21E27 -64.46 4.99 0.0 0.0 1
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132572 51380762 1 SN2O2C16H21 AB2C2D16E21 -86.27 4.82 0.0 0.0 0
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132573 51381413 2 ON3C10H10 AB3C10D10 108.86 4.59 -9.01 -1.6 0
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132574 51381505 1 ClSN3O7H22C28 ABC3D7E22F28 -93.84 9.53 -8.88 -1.84 1
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132575 51382485 1 ClSO4N5H25C28 ABC4D5E25F28 -72.22 10.08 0.0 0.0 -1
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132576 51382516 1 F4N4O5H13C21 A4B4C5D13E21 -279.07 6.96 0.0 0.0 -1
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132577 51382517 1 S2O3N6C16H19 A2B3C6D16E19 55.55 9.86 0.0 0.0 0
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132578 51382638 1 ClC3H3O3 AB3C3D3 -129.89 4.59 -11.64 -0.49 -1
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132579 51382711 1 O2C15H19 A2B15C19 -70.25 0.31 0.0 0.0 0
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132580 51382712 1 O2C15H20 A2B15C20 -94.76 4.7 -9.76 -0.03 -1
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132581 51382794 1 BrClN2O3H15C22 ABC2D3E15F22 11.3 3.81 0.0 0.0 1
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132582 51383330 1 SO3N4H27C28 AB3C4D27E28 34.85 3.62 0.0 0.0 0
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132583 51383333 1 N2F3O3H19C28 A2B3C3D19E28 -141.87 4.25 -9.1 -0.76 0
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132584 51383413 1 Cl2O3N4H20C25 A2B3C4D20E25 28.09 10.03 -8.22 -0.87 0
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132585 51383414 1 Cl2O3N4H20C25 A2B3C4D20E25 25.01 7.42 -8.54 -1.21 0
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132586 51383500 3 NOH7C8 ABC7D8 -24.64 3.11 -8.93 -0.71 1
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132587 51383602 1 ClN5H15C18 AB5C15D18 136.89 2.88 0.0 0.0 1
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132588 51383719 1 SO2N4H25C27 AB2C4D25E27 69.96 2.52 0.0 0.0 1
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132589 51383849 1 ClFSO2N4H21C26 ABCD2E4F21G26 21.01 1.1 0.0 0.0 1
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132590 51383850 1 ClFSO2N4H21C26 ABCD2E4F21G26 21.77 3.3 0.0 0.0 1
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132591 51383851 1 ClFSO2N4H21C26 ABCD2E4F21G26 22.8 4.66 0.0 0.0 1
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132592 51383852 1 ClFSO2N4H21C26 ABCD2E4F21G26 20.99 0.97 0.0 0.0 1
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132593 51383853 1 ClFOSN4H21C26 ABCDE4F21G26 51.52 2.18 0.0 0.0 1
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132594 51383854 1 ClFOSN4H21C26 ABCDE4F21G26 52.48 1.89 0.0 0.0 -1
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132595 51384351 1 SO2N4C25H37 AB2C4D25E37 -56.89 5.14 0.0 0.0 1
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132596 51384391 1 N4O4C16H21 A4B4C16D21 -110.71 6.93 0.0 0.0 -1
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132597 51384456 1 ClN4O5H16C26 AB4C5D16E26 44.57 21.3 0.0 0.0 -1
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132598 51384533 1 ClSN3O5H19C24 ABC3D5E19F24 -91.75 7.59 0.0 0.0 -1
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132599 51384534 1 ClSN3O5H19C24 ABC3D5E19F24 -89.23 5.16 0.0 0.0 -1
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132600 51384558 1 SCl2N3O4H18C23 AB2C3D4E18F23 -69.54 6.17 0.0 0.0 -1
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132601 51384559 1 SN3O4C26H26 AB3C4D26E26 -61.15 3.85 0.0 0.0 -1
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132602 51384560 1 SN3O4C26H26 AB3C4D26E26 -65.69 4.85 0.0 0.0 0
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132603 51384957 1 N5O5C27H43 A5B5C27D43 -201.33 6.32 -9.1 0.48 1
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132604 51384969 1 O2N7H28C30 A2B7C28D30 55.7 9.17 0.0 0.0 1
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132605 51385441 1 O3N5C25H46 A3B5C25D46 -179.63 6.14 0.0 0.0 0
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132606 51385442 1 O3N5C25H45 A3B5C25D45 -180.95 7.01 -8.98 0.93 1
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132607 51385443 1 NO2C12H14 AB2C12D14 -22.24 17.88 0.0 0.0 1
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132608 51385444 1 NSC12H16 ABC12D16 66.65 17.39 0.0 0.0 -1
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132609 51385856 1 ClSF3N3O4H8C11 ABC3D3E4F8G11 -231.77 5.93 0.0 0.0 0
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132610 51385892 1 O4N5C20H21 A4B5C20D21 4.83 10.43 -8.73 -1.31 0