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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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28523 828106 1 NO2C21H23 AB2C21D23 -45.27 1.22 -9.04 0.01 0
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28524 828107 1 SN2C20H20 AB2C20D20 86.03 3.38 -8.16 -0.33 0
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28525 828108 2 N2H7C10 A2B7C10 123.77 3.15 -8.83 -0.75 0
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28526 828109 1 ClN2O2H7C13 AB2C2D7E13 -7.45 2.58 -9.47 -1.67 0
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28527 828123 1 N2O2H14C21 A2B2C14D21 58.15 3.95 -8.41 -1.65 0
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28528 828136 1 O2N3H13C19 A2B3C13D19 52.18 5.69 -8.87 -1.18 0
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28529 828139 1 O2N3C9H11 A2B3C9D11 -75.14 3.79 -8.75 0.04 0
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28530 828146 1 N2O2C11H14 A2B2C11D14 -34.15 2.8 -9.79 -0.25 0
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28531 828149 1 O4N5H11C12 A4B5C11D12 40.91 4.19 -9.43 -1.7 0
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28532 828150 1 ClN2O4H9C16 AB2C4D9E16 5.2 7.37 -9.92 -1.73 0
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28533 828153 1 OSN2C9H10 ABC2D9E10 0.88 6.81 -8.15 -0.7 0
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28534 828154 1 BrN3H14C17 AB3C14D17 118.6 2.23 -8.79 -1.26 0
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28535 828155 1 ClO3H15C19 AB3C15D19 -68.97 6.15 -9.77 -1.5 1
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28536 828158 1 NSH12C13 ABC12D13 49.81 3.41 0.0 0.0 0
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28537 828205 1 OCl2N2H10C15 AB2C2D10E15 9.11 5.17 -9.48 -1.44 0
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28538 828231 1 ClON2H15C18 ABC2D15E18 23.48 9.96 -8.97 -1.0 0
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28539 828232 3 NC6H7 AB6C7 69.15 3.96 -7.51 -0.38 0
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28540 828233 1 N2O3C20H22 A2B3C20D22 -58.73 4.49 -8.68 -0.87 0
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28541 828253 1 ON2C18H18 AB2C18D18 1.95 3.12 -9.07 -0.58 0
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28542 828259 1 NOC18H19 ABC18D19 16.79 3.91 -8.49 -0.51 0
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28543 828262 1 OSN3C19H19 ABC3D19E19 26.88 2.03 -8.6 -1.07 0
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28544 828293 1 O3C20H20 A3B20C20 -78.07 3.04 -8.98 -0.72 0
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28545 828296 1 O3C20H20 A3B20C20 -78.01 2.52 -8.99 -0.78 0
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28546 828297 1 NPO2H14C17 ABC2D14E17 -62.5 4.67 -8.49 -0.75 0
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28547 828301 1 OSN2C9H14 ABC2D9E14 -46.46 5.28 -8.9 -0.54 0
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28548 828305 2 NOC10H10 ABC10D10 4.83 2.49 -9.49 -0.44 0
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28549 828306 1 SN2O2H16C17 AB2C2D16E17 -17.45 2.75 -8.54 -0.5 0
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28550 828310 1 FNOC16H16 ABCD16E16 -63.75 3.64 -8.8 -0.57 0
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28551 828313 1 N2O2H16C21 A2B2C16D21 3.4 4.18 -8.97 -0.68 0
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28552 828316 1 SN2H18C19 AB2C18D19 68.56 5.02 -8.68 -0.74 0
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28553 828323 1 N2O4H10C17 A2B4C10D17 -27.59 3.98 -9.63 -1.52 0
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28554 828338 1 ClOSN2H13C16 ABCD2E13F16 32.44 6.41 -8.61 -0.68 0
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28555 828339 1 ON3H17C21 AB3C17D21 65.17 3.91 -8.64 -0.95 0
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28556 828345 1 N2O4H18C19 A2B4C18D19 -127.46 2.06 -8.7 -0.65 0
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28557 828358 2 ON2H7C10 AB2C7D10 123.69 8.92 -8.97 -1.69 0
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28558 828361 1 NSO5H11C17 ABC5D11E17 -49.44 3.5 -8.84 -1.75 0
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28559 828362 1 BrNSO2H10C15 ABCD2E10F15 -8.6 2.92 -8.94 -1.65 0
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28560 828365 1 SN2O2H14C19 AB2C2D14E19 33.76 6.39 -8.66 -0.85 0
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28561 828366 1 SN2O2H14C19 AB2C2D14E19 33.63 4.04 -8.65 -0.84 0
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28562 828367 1 ClN2O3H13C17 AB2C3D13E17 -59.92 1.98 -9.38 -1.11 0
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28563 828368 1 BrNO3H14C16 ABC3D14E16 -86.39 5.69 -9.54 -0.94 0
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28564 828369 1 NOF2C19H21 ABC2D19E21 -115.03 1.69 -9.39 -0.18 0
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28565 828376 1 N2O3C18H20 A2B3C18D20 -78.93 3.2 -8.3 -0.21 0
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28566 828389 1 NOC19H23 ABC19D23 -13.28 0.86 -8.19 0.34 0
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28567 828397 2 NO2H6C7 AB2C6D7 -67.21 2.02 -9.82 -0.61 0
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28568 828398 1 NO2C14H21 AB2C14D21 -97.39 2.76 -9.41 0.07 0
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28569 828405 1 SN3O4C16H17 AB3C4D16E17 -100.53 2.24 -8.51 -1.27 0
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28570 828406 1 SN3O4C16H17 AB3C4D16E17 -101.15 4.18 -8.46 -1.15 0
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28571 828407 1 O3H10C16 A3B10C16 -6.9 3.88 -9.67 -1.39 0
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28572 828410 1 ClO3H9C16 AB3C9D16 -17.01 4.45 -9.6 -1.5 0
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28573 828414 1 ClNOH10C11 ABCD10E11 -15.19 3.36 -9.43 -0.96 0
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28574 828416 1 NSO3C18H21 ABC3D18E21 -114.81 7.0 -9.15 -0.87 0
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28575 828418 1 FNSO2H10C15 ABCD2E10F15 -59.39 2.7 -8.9 -1.57 0
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28576 828420 1 ClFON3C17H17 ABCD3E17F17 -42.28 5.09 -8.82 -0.23 0
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28577 828426 1 NSO2H17C18 ABC2D17E18 -38.65 2.04 -8.92 -1.12 0
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28578 828428 1 OSN2C13H16 ABC2D13E16 -18.49 4.39 -8.61 -0.69 0
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28579 828442 1 S2N3H13C14 A2B3C13D14 86.52 4.42 -8.64 -0.91 0
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28580 828449 1 NSO4H13C15 ABC4D13E15 -90.64 1.63 -8.29 -1.29 0
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28581 828451 1 ON3H17C19 AB3C17D19 54.47 1.43 -8.64 -1.06 0
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28582 828453 1 ClON3H14C18 ABC3D14E18 52.14 1.66 -8.46 -1.2 0
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28583 828457 1 ON2H14C18 AB2C14D18 57.2 5.6 -9.02 -1.3 0
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28584 828459 3 NC6H7 AB6C7 54.07 3.84 -8.67 -1.08 0
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28585 828467 1 SN4H18C19 AB4C18D19 95.53 2.44 -8.82 -1.3 0
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28586 828469 1 SN4H18C19 AB4C18D19 97.22 1.74 -8.9 -1.32 0
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28587 828470 1 NO4C18H23 AB4C18D23 -153.79 2.67 -9.18 -0.85 0
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28588 828474 2 NOH8C11 ABC8D11 26.06 2.0 -8.89 -0.82 0
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28589 828480 1 O3N4C11H16 A3B4C11D16 -121.84 2.21 -8.74 -0.58 0
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28590 828492 1 ClNSO2C16H18 ABCD2E16F18 -55.73 4.25 -9.22 -0.96 0
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28591 828504 1 ClNO3H10C13 ABC3D10E13 -71.9 8.1 -9.36 -1.36 0
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28592 828509 1 ON3H21C22 AB3C21D22 62.94 2.37 -8.57 -0.18 0
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28593 828511 1 N3O3H17C20 A3B3C17D20 -33.7 3.84 -9.14 -1.58 0
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28594 828512 1 ON3C21H25 AB3C21D25 13.52 4.01 -7.87 0.04 0
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28595 828516 1 ClN2O2C18H19 AB2C2D18E19 -70.01 1.86 -9.01 -0.75 0
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28596 828519 1 NSO4C18H21 ABC4D18E21 -152.11 3.17 -8.57 -0.68 0
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28597 828520 1 ClNO3H16C17 ABC3D16E17 -88.4 5.3 -8.43 -0.26 0
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28598 828534 1 O2N3C10H11 A2B3C10D11 -19.74 5.39 -9.66 -0.93 0
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28599 828535 1 ClSO2N3H10C14 ABC2D3E10F14 32.22 2.15 -8.97 -1.4 0
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28600 828536 1 NSO5C13H13 ABC5D13E13 -159.28 10.02 -9.1 -1.19 0
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28601 828541 1 SO2N4H12C14 AB2C4D12E14 26.14 4.68 -9.01 -1.0 0
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28602 828542 1 NSO5C13H13 ABC5D13E13 -163.02 9.43 -9.07 -1.12 0
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28603 828556 1 ClN2O2C16H17 AB2C2D16E17 -27.92 4.92 -8.95 -0.42 0
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28604 828558 1 OSN3C13H15 ABC3D13E15 22.53 1.18 -8.84 -0.78 0
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28605 828561 1 OSN3H17C18 ABC3D17E18 53.95 0.89 -8.88 -0.86 0
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28606 828563 1 FOSN3H12C16 ABCD3E12F16 21.08 0.43 -8.91 -1.28 0
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28607 828564 1 OSN3H15C17 ABC3D15E17 58.24 2.99 -8.74 -1.03 0
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28608 828601 1 ON4C12H14 AB4C12D14 21.92 1.59 -9.12 -0.74 0
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28609 828611 1 BrN3C17H20 AB3C17D20 63.4 2.29 -9.01 -0.17 0
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28610 828614 1 ClO2N4H13C16 AB2C4D13E16 16.2 5.33 -9.08 -1.06 0
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28611 828622 1 ClNOC15H16 ABCD15E16 -22.53 4.13 -8.72 -0.08 0
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28612 828623 1 ClNOC15H16 ABCD15E16 -24.33 3.21 -8.6 -0.27 0
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28613 828624 1 O2N3C19H25 A2B3C19D25 -15.4 3.97 -8.48 0.0 0
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28614 828629 1 ClNOC15H16 ABCD15E16 -23.12 2.76 -8.74 -0.26 0
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28615 828630 1 ClNOC16H18 ABCD16E18 -31.69 4.22 -8.55 -0.09 0
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28616 828634 2 NOC10H16 ABC10D16 -67.38 1.73 -8.25 0.32 0
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28617 828635 1 ClNOC16H18 ABCD16E18 -28.25 2.16 -8.16 -0.28 0
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28618 828636 2 NOC10H16 ABC10D16 -74.23 4.13 -8.15 0.21 0
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28619 828638 1 ClNOC16H18 ABCD16E18 -31.89 1.73 -7.97 -0.36 0
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28620 828639 1 ClNOC16H18 ABCD16E18 -27.45 2.61 -8.51 -0.21 0
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28621 828642 3 NC5H5 AB5C5 70.15 3.69 -8.63 -0.13 0
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28622 828643 2 NOC10H16 ABC10D16 -67.47 2.29 -7.92 0.29 0