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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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162416 57394595 1 ON4C10H12 AB4C10D12 12.55 0.88 -8.9 -0.5 0
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162417 57394596 1 ClSN2O5C19H19 ABC2D5E19F19 -114.62 2.38 -9.3 -0.85 0
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162418 57394607 1 N2S2O5C17H18 A2B2C5D17E18 -94.79 9.86 -9.04 -1.15 0
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162419 57394610 1 NaO3N5C10H10 AB3C5D10E10 -50.36 6.05 -7.99 -0.71 0
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162420 57394612 1 ClNO3C17H18 ABC3D17E18 -96.15 5.63 -8.94 -0.25 0
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162421 57394616 1 ClSO4N5H18C20 ABC4D5E18F20 -8.86 7.32 -9.19 -1.51 0
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162423 57394622 1 SN2O3H20C28 AB2C3D20E28 26.84 5.87 -8.34 -0.9 0
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162424 57394630 1 OS2N4H6C9 AB2C4D6E9 72.2 0.45 -8.79 -1.07 0
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162425 57394631 1 OS2N4H10C11 AB2C4D10E11 63.01 1.85 -8.7 -0.95 0
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162426 57394632 1 OS3N4H8C11 AB3C4D8E11 67.06 1.14 -8.46 -1.19 0
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162427 57394637 1 SN4C17H20 AB4C17D20 66.97 3.76 -8.37 -0.86 0
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162428 57394638 1 FN3O4H20C24 AB3C4D20E24 -141.59 4.53 -8.93 -1.28 0
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162430 57394642 1 SN2O3H18C22 AB2C3D18E22 -26.48 5.15 -8.45 -1.22 0
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162431 57394645 1 BrON2H5C6 ABC2D5E6 54.69 2.53 -9.52 -1.65 0
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162432 57394647 1 N2O2C15H22 A2B2C15D22 -35.62 2.5 -8.74 -0.1 0
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162434 57394649 1 SN2O5C23H34 AB2C5D23E34 -180.99 7.39 -9.08 -1.03 0
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162437 57394662 1 SCl2O2N3C24H29 AB2C2D3E24F29 -59.49 3.92 -8.31 -1.11 0
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162439 57394666 1 FSN5O7C23H30 ABC5D7E23F30 -289.43 3.21 -9.68 -1.17 0
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162440 57394667 1 BrClO2N4H18C21 ABC2D4E18F21 40.08 3.68 -8.72 -0.72 0
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162441 57394670 1 SO3N4H16C17 AB3C4D16E17 -15.32 6.81 -9.0 -0.86 0
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162442 57394671 1 ClN4O4H23C33 AB4C4D23E33 130.61 2.91 -9.29 -1.29 0
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162443 57394672 1 S2O12N16C35H60 A2B12C16D35E60 -466.32 13.17 -9.39 -2.24 0
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162445 57394679 2 O2C3H5 A2B3C5 -169.21 3.57 -9.93 -0.59 0
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162446 57394682 1 SN3O4C19H25 AB3C4D19E25 -158.55 4.13 -8.64 -0.58 0
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162447 57394685 1 SN4O4C23H32 AB4C4D23E32 -133.63 7.71 -8.52 -0.86 0
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162448 57394688 1 ClSN4O4C24H33 ABC4D4E24F33 -157.9 0.74 -8.43 -0.82 0
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162449 57394691 1 SO3N5C15H19 AB3C5D15E19 3.69 9.54 -8.86 -1.62 0
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162450 57394702 2 O2N3C11H12 A2B3C11D12 -17.11 5.15 -8.36 -0.29 0
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162451 57394705 1 FSN2O3C20H23 ABC2D3E20F23 -123.89 5.26 -9.01 -0.39 0
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162452 57394706 1 SO3N4C22H26 AB3C4D22E26 -57.54 9.65 -8.73 -0.84 0
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162453 57394708 1 FSO3N5C22H26 ABC3D5E22F26 -97.86 4.99 -9.35 -1.53 0
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162454 57394711 1 N3O3C28H33 A3B3C28D33 -48.99 2.92 -8.89 -0.74 0
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162455 57394715 1 ClFNO2H15C20 ABCD2E15F20 -66.37 5.73 -9.16 -0.57 0
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162456 57394717 1 SN2O3H24C30 AB2C3D24E30 12.98 1.56 -8.23 -0.88 0
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162457 57394724 1 NO6H25C28 AB6C25D28 -140.75 6.05 -8.87 -0.87 0
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162458 57394725 1 N2O4H26C27 A2B4C26D27 -74.95 6.85 -8.75 -1.06 0
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162460 57394731 1 SN2O5C19H26 AB2C5D19E26 -162.76 6.05 -9.61 -1.3 0
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162461 57394740 1 SN3O4H19C21 AB3C4D19E21 -75.7 6.66 -9.11 -1.0 0
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162462 57394742 1 ClN3O8C22H22 AB3C8D22E22 -203.44 8.3 -8.75 -1.75 0
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162463 57394743 1 ClN3O5C17H20 AB3C5D17E20 -144.08 9.02 -8.84 -1.74 0
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162464 57394749 1 BrClOSN4H12C16 ABCDE4F12G16 84.48 7.56 -8.76 -1.23 0
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162467 57394760 1 NF2O4H25C29 AB2C4D25E29 -178.33 4.03 -9.17 -0.65 0
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162468 57394762 1 P14N35O98C153H201 A14B35C98D153E201 -5004.05 9.67 -9.16 -1.13 0
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162469 57394764 1 Cl2O2N3C20H23 A2B2C3D20E23 -36.41 6.13 -9.32 -0.78 0
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162470 57394766 1 BO2C19H31 AB2C19D31 -191.43 2.34 -9.01 0.4 0
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162471 57394769 1 ClNO2H14C16 ABC2D14E16 -30.97 5.79 -9.12 -0.29 0
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162472 57394771 1 S2N3O7C13H19 A2B3C7D13E19 -260.76 7.28 -9.09 -0.99 0
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162473 57394772 1 S2N3O12C19H29 A2B3C12D19E29 -498.29 5.27 -9.44 -1.31 0
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162474 57394773 1 FPSN6O8C45H56 ABCD6E8F45G56 -355.96 6.07 -8.6 -0.75 0
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162475 57394783 1 SCl2F3N4O7C35H43 AB2C3D4E7F35G43 -376.98 15.7 -8.84 -1.67 0
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162477 57394797 1 FO2N5C26H28 AB2C5D26E28 -39.84 4.65 -8.69 -0.96 0
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162478 57394801 1 N3O3H15C17 A3B3C15D17 -26.99 4.99 -9.11 -1.08 0
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162479 57394802 1 O3N4H14C17 A3B4C14D17 -27.28 3.15 -9.73 -1.3 0
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162480 57394804 3 NOH5C7 ABC5D7 -17.15 6.38 -8.57 -1.35 0
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162481 57394806 1 ClON2F3H8C12 ABC2D3E8F12 -165.0 5.17 -9.07 -0.86 0
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162482 57394811 1 NO2H15C18 AB2C15D18 -12.56 7.68 -8.27 -1.26 0
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162483 57394816 1 O2N4H30C35 A2B4C30D35 98.12 3.92 -8.13 -1.32 0
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162484 57394823 1 N4C21H24 A4B21C24 72.09 3.03 -7.96 -0.11 0
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162485 57394828 1 O2N4C23H26 A2B4C23D26 -28.42 7.88 -8.58 -0.49 0
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162487 57394832 1 S3N5O7C28H31 A3B5C7D28E31 -163.75 9.02 -8.88 -1.11 0
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162489 57394844 1 ClFSN3O4C27H29 ABCD3E4F27G29 -184.64 3.02 -8.52 -0.79 1
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162490 57394847 1 NaN2S2O4H10C11 AB2C2D4E10F11 -185.76 8.86 0.0 0.0 0
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162491 57394852 1 N2O2C13H16 A2B2C13D16 -53.73 4.95 -9.72 -0.34 0
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162492 57394853 1 FSN2O3C13H17 ABC2D3E13F17 -161.89 5.79 -9.57 -1.02 0
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162493 57394855 1 FSN2O3C14H19 ABC2D3E14F19 -159.4 5.81 -9.51 -0.72 0
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162494 57394858 1 OF2N4C20H20 AB2C4D20E20 -44.8 3.99 -8.75 -0.85 0
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162496 57394862 1 ClO2S2F3N4H6C15 AB2C2D3E4F6G15 -116.72 2.01 -9.47 -2.19 0
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162497 57394866 1 N2H20C23 A2B20C23 103.81 1.96 -8.25 -0.28 0
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162499 57394871 1 O3N8C25H30 A3B8C25D30 18.75 6.28 -9.0 -1.66 0
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162500 57394872 1 SN2O5H26C27 AB2C5D26E27 -142.49 2.27 -8.65 -1.32 0
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162501 57394874 1 N2O5H30C32 A2B5C30D32 -128.07 5.01 -9.43 -0.63 0
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162502 57394877 1 BrOSN3H14C18 ABCD3E14F18 77.9 7.31 -9.23 -1.05 0
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162503 57394879 1 BrN5H16C19 AB5C16D19 109.07 3.26 -8.37 -0.49 0
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162505 57394884 1 SN2H20C23 AB2C20D23 80.9 1.69 -8.42 -0.72 0
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162506 57394887 1 BrSO2N4H13C17 ABC2D4E13F17 38.14 9.72 -9.03 -1.14 0
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162507 57394889 1 BrSO2N3H16C18 ABC2D3E16F18 -0.19 12.0 -8.91 -0.85 0
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162508 57394893 2 NSO2C13H13 ABC2D13E13 -86.86 9.57 -9.28 -1.02 0
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162509 57394897 1 PN2O7C12H17 AB2C7D12E17 -343.22 5.94 -10.17 -0.8 0
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162510 57394898 1 SN4O6C22H28 AB4C6D22E28 -191.57 4.99 -9.13 -0.46 0
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162511 57394900 1 N2O3C18H18 A2B3C18D18 -48.22 4.65 -9.24 -0.34 0
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162512 57394905 1 SN3O4C19H19 AB3C4D19E19 -81.13 11.48 -8.56 -1.48 0
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162514 57394912 1 ON7H13C18 AB7C13D18 160.0 4.42 -9.53 -2.21 0
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162515 57394915 1 O2N3C30H33 A2B3C30D33 -15.36 7.08 -8.2 -0.22 0
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162516 57394919 1 FO2N3H26C28 AB2C3D26E28 -31.56 3.66 -8.27 -0.17 0
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162519 57394932 1 ON7C19H21 AB7C19D21 50.14 3.13 -7.82 -0.55 0
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162520 57394935 1 ON7C17H17 AB7C17D17 51.14 1.07 -7.89 -0.58 0
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162521 57394936 1 ON7C19H23 AB7C19D23 58.62 2.65 -7.8 -0.39 0
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162522 57394937 1 O4C25H48 A4B25C48 -280.71 3.02 -9.84 0.47 0
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162523 57394941 1 NO8C47H61 AB8C47D61 -320.48 8.38 -8.2 -0.84 0
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162524 57394943 1 BrSN3O4H14C19 ABC3D4E14F19 -62.8 6.58 -8.58 -1.44 0
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162525 57394946 1 ClN4O12C49H81 AB4C12D49E81 -586.5 4.13 -8.71 -0.8 0
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162526 57394947 1 ClON3C15H24 ABC3D15E24 -58.29 3.26 -8.21 0.03 0
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162527 57394948 1 SN4O4C19H28 AB4C4D19E28 -119.43 6.81 -9.09 -0.29 -4
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162528 57394954 1 P4N10C21O21H26 A4B10C21D21E26 -766.82 9.26 -8.89 -2.57 -3
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162529 57394957 1 P3N10O18C22H28 A3B10C18D22E28 -712.83 6.9 0.0 0.0 0
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162530 57394958 1 NO5C27H37 AB5C27D37 -189.4 1.45 -8.67 -0.24 0
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162531 57394961 1 BrO2N4H17C18 AB2C4D17E18 24.76 3.58 -9.27 -0.93 0
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162532 57394962 1 ClNO2H10C13 ABC2D10E13 -15.52 4.84 -9.36 -1.41 0
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162533 57394970 1 O2F3N3C25H34 A2B3C3D25E34 -225.9 7.11 -9.45 -0.89 0
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162534 57394971 1 ON4C28H36 AB4C28D36 -1.81 2.86 -8.32 0.11 0