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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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79452 49754884 1 SN4O5C24H28 AB4C5D24E28 -168.14 3.55 -8.52 -0.75 0
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79453 49754910 3 NOC6H7 ABC6D7 -62.02 3.55 -9.13 0.12 0
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79454 49754927 1 N4O5C26H30 A4B5C26D30 -178.07 2.38 -8.73 -0.65 0
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79455 49754932 2 SN2O3C14H15 AB2C3D14E15 -175.07 6.96 -8.52 -0.89 0
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79456 49754935 1 N4O5C26H28 A4B5C26D28 -171.44 2.71 -8.45 -0.79 0
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79457 49754937 1 N4O5C27H30 A4B5C27D30 -173.83 4.95 -8.41 -0.78 0
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79458 49754941 2 ON3C10H11 AB3C10D11 1.28 4.34 -9.29 -0.93 0
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79459 49754946 2 N2O2C12H15 A2B2C12D15 -111.52 5.54 -9.15 -0.97 0
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79460 49754952 1 SO2N4C18H20 AB2C4D18E20 0.99 6.68 -9.17 -0.94 0
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79461 49754959 1 F3O3N5C15H18 A3B3C5D15E18 -244.91 3.52 -9.68 -1.01 0
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79463 49754961 1 SO3N5C18H21 AB3C5D18E21 -51.89 3.74 -9.18 -1.11 0
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79464 49754968 2 O2N3C12H14 A2B3C12D14 -111.06 4.75 -8.78 -1.1 0
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79465 49754975 1 O4N6C25H28 A4B6C25D28 -115.45 0.88 -8.4 -1.15 0
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79466 49754990 1 N3O4C22H27 A3B4C22D27 -81.67 6.04 -9.14 -0.09 0
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79467 49754993 1 SN3O3C18H23 AB3C3D18E23 -59.57 7.83 -8.99 -0.18 0
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79468 49754994 1 BrSN3O4C12H18 ABC3D4E12F18 -107.91 4.96 -9.61 -0.97 0
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79469 49755001 1 SN4O4C18H22 AB4C4D18E22 -85.3 4.08 -9.24 -0.48 0
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79470 49755018 1 N5O5C25H29 A5B5C25D29 -142.72 5.19 -8.38 -0.75 0
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79471 49755020 1 SN4O4C14H20 AB4C4D14E20 -125.19 6.48 -9.72 -1.19 0
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79472 49755024 1 O2S2N4C21H28 A2B2C4D21E28 -32.91 5.94 -9.44 -1.22 0
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79473 49755046 1 S2O5N6C21H26 A2B5C6D21E26 -134.26 8.8 -8.5 -1.28 0
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79474 49755047 1 SO4N6C22H26 AB4C6D22E26 -101.85 6.1 -8.88 -1.14 0
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79475 49759520 1 NO4C17H29 AB4C17D29 -221.09 1.1 -8.88 0.75 0
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79476 49759521 1 NO3C11H17 AB3C11D17 -127.16 2.37 -9.22 -0.34 0
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79477 49759522 1 NSO4C15H21 ABC4D15E21 -170.41 3.13 -9.62 -0.5 0
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79478 49759523 1 NSO5C14H19 ABC5D14E19 -193.75 4.8 -9.29 -0.4 0
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79479 49759525 1 N2O6C27H32 A2B6C27D32 -244.84 5.88 -9.05 -0.6 0
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79480 49759528 1 NS2O4C11H15 AB2C4D11E15 -142.43 4.3 -9.32 -0.82 0
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79481 49759538 1 NSO4C9H17 ABC4D9E17 -197.64 5.78 -10.02 0.07 0
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79482 49759540 1 NSO4C11H21 ABC4D11E21 -207.63 5.63 -10.01 0.08 0
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79483 49760093 1 FN2O3C17H21 AB2C3D17E21 -132.89 3.06 -9.36 -0.96 0
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79484 49760094 1 FO2N3C17H22 AB2C3D17E22 -113.4 5.09 -8.92 -0.66 0
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79485 49760106 1 N3C12H13 A3B12C13 57.28 1.0 -8.79 -0.46 0
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79486 49760108 1 N3O3C17H23 A3B3C17D23 -122.27 3.26 -8.92 -0.3 0
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79487 49760370 2 NO2C6H8 AB2C6D8 -154.39 5.75 -9.74 -0.84 0
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79488 49760371 2 NO2C6H8 AB2C6D8 -162.77 6.28 -9.78 -0.68 0
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79489 49786815 1 O2N4H22C23 A2B4C22D23 24.15 3.85 -8.2 -0.58 0
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79490 49786819 1 N2O3C15H20 A2B3C15D20 -113.33 4.36 -9.6 -0.5 0
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79491 49786821 1 N3O5C26H27 A3B5C26D27 -105.33 5.29 -8.53 -0.91 0
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79492 49786825 2 N2O3C10H11 A2B3C10D11 -184.18 7.57 -9.57 -0.9 0
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79493 49786826 1 FSN2O6H19C20 ABC2D6E19F20 -234.85 5.07 -9.2 -1.63 0
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79494 49786830 1 FN3O4C21H22 AB3C4D21E22 -121.25 5.75 -8.2 -0.6 0
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79495 49786833 1 FN3O4C18H20 AB3C4D18E20 -135.16 4.59 -8.89 -0.78 0
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79496 49786835 1 N2F3O3C22H25 A2B3C3D22E25 -227.67 6.98 -9.03 -0.48 0
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79497 49786840 1 N2O4C27H38 A2B4C27D38 -168.5 5.35 -8.68 -0.82 0
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79498 49786850 1 NO4C21H23 AB4C21D23 -110.91 3.3 -8.75 -0.71 0
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79499 49786852 1 FOS2N3H14C18 ABC2D3E14F18 10.0 4.93 -8.43 -1.09 0
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79500 49786860 1 OSN5C19H21 ABC5D19E21 42.14 3.35 -8.21 -0.78 0
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79501 49786866 1 FN3O3C23H28 AB3C3D23E28 -117.82 2.47 -9.48 -0.81 0
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79502 49786870 1 N3O3H21C22 A3B3C21D22 -3.72 4.94 -8.42 -0.55 0
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79503 49786890 1 O3N5H31C33 A3B5C31D33 1.98 1.21 -8.72 -1.34 0
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79504 49786901 1 ClSN2O4C20H21 ABC2D4E20F21 -126.87 6.98 -9.52 -0.85 0
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79505 49786926 1 SN3O5H21C23 AB3C5D21E23 -92.69 10.96 -8.62 -1.07 0
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79506 49786927 1 SN3O5C23H25 AB3C5D23E25 -97.34 10.07 -8.3 -0.83 0
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79507 49786933 1 ClSN2O5C23H23 ABC2D5E23F23 -145.61 6.59 -9.42 -0.44 0
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79508 49786940 1 SF3N3O5C20H20 AB3C3D5E20F20 -297.57 9.3 -10.1 -1.36 0
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79509 49786944 1 NO4C22H23 AB4C22D23 -115.83 3.21 -8.7 -0.86 0
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79510 49786946 1 SN2O3C18H28 AB2C3D18E28 -133.64 7.05 -9.32 -0.58 0
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79511 49786948 1 P3N15O23C39H50 A3B15C23D39E50 -1021.74 19.86 -9.33 -1.29 0
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79512 49786949 2 N6O7C28H40 A6B7C28D40 -457.12 15.12 -9.36 -1.92 0
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79513 49786950 1 C3O3H16 A3B3C16 -197.42 0.88 -10.72 2.34 0
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79514 49811844 1 SN3O3H21C23 AB3C3D21E23 -60.2 1.53 -8.99 -1.17 0
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79515 49815675 1 SO2N4C20H22 AB2C4D20E22 -44.27 3.06 -8.59 -0.67 0
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79516 49815676 1 SO2N4C20H22 AB2C4D20E22 -43.7 5.33 -8.86 -0.57 0
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79517 49815679 1 SO2N4C11H14 AB2C4D11E14 -62.67 5.41 -8.91 -0.61 0
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79518 49816669 1 ClO2N3H16C19 AB2C3D16E19 -24.77 1.33 -9.0 -1.23 0
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79519 49816670 1 ClN3O4H20C21 AB3C4D20E21 -111.89 3.72 -8.82 -1.06 0
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79520 49816673 1 Cl2N3O4H19C21 A2B3C4D19E21 -112.57 6.06 -8.32 -0.98 0
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79521 49816675 1 ClO2N3C23H24 AB2C3D23E24 -47.43 2.64 -9.34 -0.99 0
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79522 49816685 1 ClN3O4H18C21 AB3C4D18E21 -112.11 5.83 -9.31 -1.25 0
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79523 49816686 1 ClO2N3H20C21 AB2C3D20E21 -44.18 2.46 -8.74 -1.12 0
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79524 49816687 1 ClO2N3H20C21 AB2C3D20E21 -32.21 3.55 -9.61 -0.66 0
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79525 49816690 1 ClO2N3C17H20 AB2C3D17E20 -78.2 2.42 -9.66 -0.96 0
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79526 49816799 1 ClO2N3H20C21 AB2C3D20E21 -32.89 4.48 -9.28 -0.84 0
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79527 49816801 1 O2N3C24H27 A2B3C24D27 -40.5 4.48 -8.82 -0.55 0
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79528 49816808 1 O2N3C23H23 A2B3C23D23 -33.6 1.68 -8.52 -0.86 0
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79529 49816809 1 N3O3C23H25 A3B3C23D25 -71.02 1.73 -8.67 -0.87 0
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79530 49816810 1 O2N3C23H23 A2B3C23D23 -29.51 1.71 -9.25 -0.84 0
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79531 49816811 1 ClO2N3H20C21 AB2C3D20E21 -32.26 2.97 -9.65 -1.0 0
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79532 49816812 1 ClO2F3N3H17C21 AB2C3D3E17F21 -193.34 3.96 -9.41 -1.22 0
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79533 49816813 1 ClO2N3C20H24 AB2C3D20E24 -80.72 1.9 -9.71 -1.0 0
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79534 49816814 1 ClN3O3C22H22 AB3C3D22E22 -77.62 3.98 -8.35 -1.06 0
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79535 49816816 1 ClO2N3C18H22 AB2C3D18E22 -75.5 1.95 -9.72 -1.03 0
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79536 49825822 1 N2O3H18C19 A2B3C18D19 -74.55 4.11 -8.32 -0.88 0
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79537 49825827 1 FOSN4H17C18 ABCD4E17F18 37.6 1.28 -8.85 -0.87 0
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79538 49826096 1 N3O4C22H23 A3B4C22D23 -87.97 9.54 -8.9 -0.7 0
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79539 49826097 1 O2F3N5H16C19 A2B3C5D16E19 -107.15 6.05 -9.3 -1.09 1
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79540 49826114 1 SO2N3C24H28 AB2C3D24E28 19.79 5.84 0.0 0.0 0
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79541 49826121 1 BrN3O4H14C16 AB3C4D14E16 1.83 7.28 -9.39 -1.11 0
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79542 49826122 1 FN2S2O3H15C19 AB2C2D3E15F19 -72.75 3.53 -8.37 -1.13 0
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79543 49826123 1 SO3N5C18H19 AB3C5D18E19 53.4 6.59 -8.94 -1.3 1
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79544 49828870 1 SN3O4C23H36 AB3C4D23E36 -136.27 10.11 0.0 0.0 0
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79545 49829441 1 SN4O5C21H24 AB4C5D21E24 -162.15 7.67 -8.87 -0.54 1
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79546 49829442 1 ClO2F3N3C20H22 AB2C3D3E20F22 -181.98 10.43 0.0 0.0 1
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79547 49829443 1 N2O4C27H33 A2B4C27D33 -115.17 3.4 0.0 0.0 0
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79548 49829446 1 N2O5C25H30 A2B5C25D30 -172.96 5.37 -8.31 -0.35 1
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79549 49829452 1 SN3O5C21H24 AB3C5D21E24 -63.07 6.32 0.0 0.0 0
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79550 49829455 1 SO2N5C23H25 AB2C5D23E25 -8.86 3.35 -8.73 -0.44 -1
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79551 49829463 1 NSO6C22H24 ABC6D22E24 -143.29 7.27 0.0 0.0 0
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79552 49829466 1 O4N6H22C23 A4B6C22D23 -5.64 2.43 -8.31 -0.87 0