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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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27523 821790 1 ON2Cl3C13H17 AB2C3D13E17 -66.39 4.16 -9.65 -0.4 0
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27524 821797 1 O2C17H18 A2B17C18 -56.86 4.83 -9.33 -0.16 0
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27525 821850 1 OSN2C10H10 ABC2D10E10 3.57 2.38 -8.93 -0.86 0
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27526 821851 1 O3N5H13C14 A3B5C13D14 7.59 5.56 -8.22 -1.62 0
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27527 821852 1 ON6H12C16 AB6C12D16 101.93 7.46 -8.92 -1.82 0
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27528 821854 1 N5H11C12 A5B11C12 103.8 6.68 -8.84 -0.84 0
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27529 821855 1 ON5H13C15 AB5C13D15 73.82 4.18 -8.57 -1.62 0
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27530 821856 1 O2N5C17H19 A2B5C17D19 23.68 4.64 -8.38 -1.49 0
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27531 821857 1 O2N5H13C14 A2B5C13D14 42.19 8.72 -8.36 -1.64 0
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27532 821858 1 SO3H10C11 AB3C10D11 -87.22 2.03 -8.39 -0.55 0
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27533 821859 1 NSC14H17 ABC14D17 39.14 1.27 -8.72 -0.06 0
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27534 821864 1 BrSH7C9 ABC7D9 32.29 0.6 -8.76 -0.56 0
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27535 821866 1 BrNOSC12H14 ABCDE12F14 -1.81 1.31 -8.77 -0.74 0
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27536 821867 1 ON5H13C14 AB5C13D14 70.79 4.8 -9.14 -1.58 0
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27537 821869 1 O2N5H13C14 A2B5C13D14 41.47 7.93 -8.59 -1.49 0
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27538 821877 1 BrSO2H13C14 ABC2D13E14 -49.98 3.27 -9.26 -1.15 0
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27539 821878 1 ClNSO2H12C14 ABCD2E12F14 -35.74 4.66 -8.88 -0.93 0
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27540 821879 1 ClNSO2H12C14 ABCD2E12F14 -37.2 4.17 -9.0 -1.01 0
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27541 821894 1 ON7H13C16 AB7C13D16 130.35 7.54 -8.86 -1.75 0
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27542 821898 1 O2N3C9H11 A2B3C9D11 -16.99 2.91 -8.68 -0.54 0
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27543 821905 1 ON7H15C17 AB7C15D17 128.28 2.45 -8.98 -1.49 0
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27544 821924 1 O3N5C10H11 A3B5C10D11 50.09 4.05 -10.04 -1.53 0
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27545 821945 2 NSH7C8 ABC7D8 105.56 3.66 -9.39 -1.07 0
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27546 821978 1 SO3H14C16 AB3C14D16 -56.81 3.49 -9.89 -0.78 1
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27547 821981 1 ClNOSC13H15 ABCDE13F15 -6.01 3.36 0.0 0.0 0
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27548 821987 1 ISO2H7C9 ABC2D7E9 -22.24 5.91 -9.97 -1.42 0
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27549 821992 1 SO2H8C10 AB2C8D10 -50.47 5.1 -8.98 -0.96 0
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27550 822004 1 BrS2H7C11 AB2C7D11 63.67 2.12 -8.54 -0.89 0
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27551 822035 1 ClOSN2H13C15 ABCD2E13F15 14.47 4.58 -9.05 -1.29 0
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27552 822057 1 N2O3C14H16 A2B3C14D16 -77.55 2.26 -8.62 -0.28 0
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27553 822060 2 OC9H10 AB9C10 -37.72 0.52 -8.58 0.3 0
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27554 822093 1 O3C17H18 A3B17C18 -80.96 2.36 -8.56 -0.42 0
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27555 822096 2 OC8H8 AB8C8 -22.45 2.08 -8.71 -0.49 0
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27556 822117 1 NSO3H11C12 ABC3D11E12 -86.66 4.47 -9.28 -0.99 0
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27557 822126 1 BrO4H9C10 AB4C9D10 -98.29 3.62 -10.85 -0.6 0
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27558 822152 1 N2O2C15H18 A2B2C15D18 -4.07 2.69 -8.31 -0.21 0
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27559 822169 1 ClON3H18C19 ABC3D18E19 18.25 6.54 -8.83 -1.24 0
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27560 822172 1 SO3N5C12H15 AB3C5D12E15 -64.87 5.13 -8.8 -0.53 0
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27561 822176 2 N2O2C6H7 A2B2C6D7 -79.88 4.98 -10.35 -1.98 0
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27562 822178 1 N2O3C13H20 A2B3C13D20 -127.86 7.41 -9.01 0.34 0
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27563 822181 1 O2N4H6C7 A2B4C6D7 -51.84 5.12 -9.07 -1.4 0
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27564 822185 2 ON2H5C9 AB2C5D9 25.03 9.62 -9.23 -2.18 0
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27565 822208 1 ClO2N4C9H9 AB2C4D9E9 -44.47 2.62 -9.65 -1.68 0
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27566 822209 1 O3N4C8H8 A3B4C8D8 -85.72 4.56 -9.83 -1.25 0
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27567 822215 1 ClO2N4H11C14 AB2C4D11E14 -10.1 4.72 -9.55 -1.72 0
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27568 822228 1 ON6C9H12 AB6C9D12 16.16 5.59 -8.88 -0.7 0
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27569 822236 1 O2F3N4H11C15 A2B3C4D11E15 -102.32 4.52 -9.57 -1.98 0
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27570 822237 1 ON5C15H15 AB5C15D15 53.27 1.63 -8.97 -0.87 0
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27571 822238 1 ON5C11H15 AB5C11D15 10.06 2.6 -8.87 -0.74 0
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27572 822246 1 BrON4H11C14 ABC4D11E14 54.88 2.23 -8.92 -1.45 0
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27573 822251 2 ON3C7H8 AB3C7D8 -8.54 11.16 -9.02 -0.41 0
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27574 822252 2 ON3C7H8 AB3C7D8 -10.03 11.95 -8.74 -0.41 0
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27575 822253 1 ClOSN5H8C12 ABCD5E8F12 73.43 2.77 -9.12 -1.36 0
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27576 822254 2 ON3C7H8 AB3C7D8 -10.79 11.8 -8.8 -0.46 0
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27577 822255 1 SN5H13C18 AB5C13D18 149.36 11.12 -8.16 -1.87 0
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27578 822284 1 O2N5C14H23 A2B5C14D23 -70.92 5.21 -8.79 -0.31 0
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27579 822285 1 NO4C15H17 AB4C15D17 -147.78 2.77 -9.94 -1.32 0
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27580 822291 1 N5C19H27 A5B19C27 68.93 7.21 -9.3 -0.11 0
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27581 822304 1 N4H8C11 A4B8C11 108.65 6.96 -9.54 -1.17 0
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27582 822311 1 N4O5C11H18 A4B5C11D18 -184.06 2.17 -10.2 -0.42 0
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27583 822320 2 N2O2C5H7 A2B2C5D7 -171.2 4.0 -9.16 -0.76 0
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27584 822327 1 N4O5H8C9 A4B5C8D9 -165.2 8.38 -10.3 -1.9 0
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27585 822330 1 FNOC18H18 ABCD18E18 -41.65 5.06 -8.36 -0.47 0
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27586 822337 1 NO5H17C18 AB5C17D18 -154.07 4.75 -9.15 -0.71 0
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27587 822351 1 N2O3C19H20 A2B3C19D20 -65.66 1.94 -8.33 -0.63 0
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27588 822366 1 NO3C22H23 AB3C22D23 -82.93 3.32 -8.09 -0.06 0
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27589 822381 2 O2H6C9 A2B6C9 -78.93 9.17 -9.53 -1.41 0
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27590 822403 1 NO3C14H15 AB3C14D15 -105.87 4.67 -8.86 -0.79 0
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27591 822433 1 ClSO2C13H13 ABC2D13E13 -39.88 4.29 -9.65 -0.58 0
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27592 822437 1 BrOSN2C6H7 ABCD2E6F7 -15.65 2.43 -9.17 -0.9 0
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27593 822438 2 NO2C9H10 AB2C9D10 -100.41 5.28 -9.53 -0.36 0
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27594 822439 1 OSN2C7H10 ABC2D7E10 -10.75 6.9 -8.82 -0.81 0
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27595 822443 1 ClFSN2O2H14C15 ABCD2E2F14G15 -86.1 3.53 -8.93 -1.44 0
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27596 822445 1 FON3H10C12 ABC3D10E12 -25.58 4.37 -9.66 -0.91 0
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27597 822475 1 NO4C17H23 AB4C17D23 -132.75 1.84 -8.6 -0.13 0
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27598 822486 1 SN2O3C18H22 AB2C3D18E22 -84.3 3.58 -8.82 -0.6 0
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27599 822487 1 SN3C19H23 AB3C19D23 39.23 3.74 -8.84 -0.58 0
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27600 822492 1 NO5C17H21 AB5C17D21 -222.01 5.64 -9.46 -1.07 0
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27601 822496 1 NO5C18H25 AB5C18D25 -214.06 5.97 -8.52 -0.1 0
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27602 822501 1 ClNO3C15H16 ABC3D15E16 -119.97 2.84 -8.98 -0.3 0
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27603 822502 1 ClNO3C15H16 ABC3D15E16 -120.35 4.56 -9.03 -0.34 0
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27604 822504 2 ON2C5H9 AB2C5D9 -96.59 2.91 -9.67 0.37 0
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27605 822505 2 ON2C5H9 AB2C5D9 -96.28 5.01 -9.91 0.51 0
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27606 822516 1 O2N3H15C18 A2B3C15D18 15.24 5.64 -8.9 -0.38 0
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27607 822517 1 ClNSO2C12H16 ABCD2E12F16 -76.17 4.02 -9.43 -0.83 0
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27608 822521 1 ON2C21H24 AB2C21D24 -22.03 3.53 -8.3 -0.76 0
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27609 822522 1 NO3C19H19 AB3C19D19 -75.77 4.5 -8.83 -0.58 0
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27610 822538 1 FNO2H12C13 ABC2D12E13 -77.65 1.74 -9.6 -0.45 0
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27611 822553 1 N3O4C16H17 A3B4C16D17 -113.55 0.9 -9.16 -0.71 0
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27612 822562 1 ON2Cl3C12H21 AB2C3D12E21 -93.25 3.79 -9.12 -0.32 0
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27613 822574 1 ClN2O3C14H15 AB2C3D14E15 -113.52 3.22 -9.29 -0.72 0
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27614 822592 1 N2O5C16H20 A2B5C16D20 -183.95 3.54 -8.56 -0.56 0
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27615 822595 1 N2O5C15H18 A2B5C15D18 -180.39 4.88 -9.01 -0.45 0
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27616 822627 1 N2O4C15H18 A2B4C15D18 -145.38 4.99 -9.02 -0.46 0
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27617 822645 1 ClO3N5H10C14 AB3C5D10E14 59.52 7.72 -9.5 -1.43 0
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27618 822649 1 N2O4H18C19 A2B4C18D19 -17.67 5.17 -8.44 -0.48 0
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27619 822653 1 SO3H12C16 AB3C12D16 -45.06 2.84 -8.68 -1.27 0
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27620 822657 1 OSN3H15C20 ABC3D15E20 103.2 4.77 -9.05 -0.63 0
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27621 822660 1 O2N3C12H15 A2B3C12D15 -37.8 3.66 -9.06 -0.16 0
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27622 822663 1 N3O4C16H23 A3B4C16D23 -120.4 4.87 -8.48 0.05 0