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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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133511 51538344 1 FO3N4C26H34 AB3C4D26E34 -106.41 2.03 0.0 0.0 1
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133512 51538485 1 N2O2C25H35 A2B2C25D35 -23.26 4.41 0.0 0.0 1
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133513 51538555 1 ClO2N4C18H26 AB2C4D18E26 8.06 4.27 0.0 0.0 1
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133514 51538653 1 O2N5C20H28 A2B5C20D28 3.22 3.18 0.0 0.0 1
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133515 51538654 1 SN2O2C22H35 AB2C2D22E35 -42.97 3.47 0.0 0.0 1
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133516 51538655 1 SN2O2C22H35 AB2C2D22E35 -45.21 3.54 0.0 0.0 1
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133517 51538656 1 FO2N3C32H35 AB2C3D32E35 -20.53 3.98 0.0 0.0 1
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133518 51538694 1 N4O5C22H35 A4B5C22D35 -161.4 1.69 0.0 0.0 1
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133519 51538751 1 FON4C31H40 ABC4D31E40 -1.54 3.15 0.0 0.0 1
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133520 51538752 1 ClN3O3C29H39 AB3C3D29E39 -57.27 3.47 0.0 0.0 -1
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133521 51538825 1 BrNO2H3C5 ABC2D3E5 -30.13 4.03 0.0 0.0 -1
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133522 51538851 1 IH3N3O3C7 AB3C3D3E7 57.01 1.63 0.0 0.0 1
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133523 51539165 1 SO2N3C25H36 AB2C3D25E36 -19.85 4.15 0.0 0.0 0
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133524 51539706 1 BrNO2C19H20 ABC2D19E20 -51.43 1.63 -8.74 -0.05 0
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133525 51540024 1 BrO2N3C15H22 AB2C3D15E22 -83.4 5.48 -9.25 -0.43 0
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133526 51540103 1 ClN2O3C21H25 AB2C3D21E25 -123.48 6.04 -8.96 -0.18 0
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133527 51540104 1 ClN2O3C21H25 AB2C3D21E25 -120.87 8.11 -9.03 -0.21 1
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133528 51541051 1 ON4C25H33 AB4C25D33 72.22 6.06 0.0 0.0 1
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133529 51541052 1 ON4C25H33 AB4C25D33 66.32 5.16 0.0 0.0 1
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133530 51541244 1 FON6H16C18 ABC6D16E18 99.42 18.65 0.0 0.0 0
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133531 51542064 1 SF3N4O4H15C16 AB3C4D4E15F16 -179.01 5.76 -9.32 -1.91 0
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133532 51542596 1 NSO4C20H25 ABC4D20E25 -148.46 7.05 -8.4 -0.64 0
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133533 51542932 1 ClNO2H16C17 ABC2D16E17 -38.62 3.75 -8.76 -0.6 1
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133534 51542933 1 O2N3C22H32 A2B3C22D32 -38.18 4.4 0.0 0.0 0
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133535 51543420 1 SO3N4C22H22 AB3C4D22E22 17.07 6.62 -8.69 -0.54 0
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133536 51543421 1 SO3N4C19H22 AB3C4D19E22 -8.48 5.78 -8.85 -0.73 0
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133537 51543645 1 FSO3N4C23H37 ABC3D4E23F37 -180.69 3.09 -8.7 -0.38 0
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133538 51543901 1 S2O3N4C22H24 A2B3C4D22E24 -86.21 1.57 -8.8 -1.44 0
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133539 51543943 1 SN3O4C19H21 AB3C4D19E21 -92.03 2.62 -9.42 -0.9 0
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133540 51544599 1 F3N3O3C22H22 A3B3C3D22E22 -247.17 4.56 -9.86 -0.72 0
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133541 51544691 1 N2O3C15H18 A2B3C15D18 -85.57 3.35 -9.67 -0.76 0
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133542 51545510 1 OS2N3C21H21 AB2C3D21E21 40.76 2.36 -8.91 -1.02 0
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133543 51545633 1 SN3O4C24H31 AB3C4D24E31 -134.31 8.9 -8.71 -0.34 0
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133544 51546123 1 ON4H20C24 AB4C20D24 100.15 4.46 -8.97 -0.88 -1
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133545 51546312 1 ClN3O3C13H13 AB3C3D13E13 -49.53 2.97 0.0 0.0 1
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133546 51546453 1 O2N5C22H36 A2B5C22D36 -47.2 9.16 0.0 0.0 0
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133547 51546454 1 O2N5C22H35 A2B5C22D35 -69.37 7.83 -8.82 0.13 1
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133548 51546455 1 O2N5C22H36 A2B5C22D36 -44.18 8.48 0.0 0.0 0
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133549 51546456 1 O2N5C22H35 A2B5C22D35 -70.55 5.08 -8.99 -0.03 1
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133550 51546457 1 O2N4C30H37 A2B4C30D37 14.4 6.34 0.0 0.0 0
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133551 51547283 1 N3O4H19C21 A3B4C19D21 -52.13 4.58 -9.23 -0.77 0
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133552 51547855 1 FO2N3C21H24 AB2C3D21E24 -80.21 7.41 -9.07 -0.92 0
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133553 51547901 1 N2O3C18H18 A2B3C18D18 -76.04 2.66 -8.76 -0.1 -1
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133554 51547902 1 ClSN3O4H15C19 ABC3D4E15F19 -47.28 3.59 0.0 0.0 -1
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133555 51547903 1 ClSN3O4H17C21 ABC3D4E17F21 -33.05 3.01 0.0 0.0 0
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133556 51547981 1 SN2O4C22H24 AB2C4D22E24 -104.01 6.07 -8.92 -0.65 0
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133557 51548038 1 NSO3F6H11C16 ABC3D6E11F16 -395.43 5.07 -9.65 -1.72 0
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133558 51548158 1 ClFSN2O4C19H20 ABCD2E4F19G20 -170.39 5.14 -9.22 -0.9 0
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133559 51549501 1 SN3O4C25H27 AB3C4D25E27 -108.99 2.12 -8.88 -1.03 1
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133560 51550029 1 SN2C10H15 AB2C10D15 8.57 5.38 0.0 0.0 -1
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133561 51550641 1 N3O5C22H22 A3B5C22D22 -106.73 3.4 0.0 0.0 0
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133562 51552147 1 Cl2N3O4C22H25 A2B3C4D22E25 -141.5 1.3 -9.07 -1.11 0
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133563 51552352 1 O2N3C21H25 A2B3C21D25 -4.37 2.51 -8.08 -0.4 0
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133564 51552353 1 FO4N5H24C26 AB4C5D24E26 -12.4 7.67 -8.5 -1.46 0
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133565 51552354 1 O2N4C29H32 A2B4C29D32 49.82 5.16 -8.38 -1.46 -1
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133566 51553103 1 SF3N3O4H15C18 AB3C3D4E15F18 -215.07 7.89 0.0 0.0 0
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133567 51553951 1 SCl2N3O3H17C20 AB2C3D3E17F20 -64.6 6.47 -8.89 -1.06 0
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133568 51553960 1 SCl2N2O4C20H22 AB2C2D4E20F22 -145.28 3.2 -9.11 -1.34 0
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133569 51553967 1 SN2O4C19H28 AB2C4D19E28 -162.8 8.7 -9.0 -0.21 0
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133570 51554465 1 FNO4H24C25 ABC4D24E25 -123.61 7.67 -8.51 -0.25 0
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133571 51555002 1 N2O5H22C26 A2B5C22D26 -70.71 4.68 -8.82 -0.5 0
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133572 51555646 1 ClN3O5C24H24 AB3C5D24E24 -145.98 4.31 -9.34 -0.66 -1
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133573 51555726 1 ClFN3O5H18C23 ABC3D5E18F23 -179.35 3.48 0.0 0.0 0
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133574 51556478 1 F3O3N4C21H23 A3B3C4D21E23 -233.93 2.84 -8.46 0.04 0
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133575 51556674 1 SO2N5C19H29 AB2C5D19E29 -56.95 2.06 -8.8 -0.51 1
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133576 51556843 1 NO4C12H22 AB4C12D22 -187.51 4.53 0.0 0.0 0
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133577 51557001 1 FNO2C13H16 ABC2D13E16 -126.59 6.35 -9.54 -0.28 0
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133578 51557110 1 NOC10H13 ABC10D13 -30.45 0.51 -8.69 0.2 0
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133579 51557347 1 NS3O5C19H19 AB3C5D19E19 -128.96 9.8 -8.49 -1.02 -1
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133580 51557502 1 Cl2N2S3O4H13C14 A2B2C3D4E13F14 -75.15 7.29 0.0 0.0 0
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133581 51557707 1 NSO6C27H29 ABC6D27E29 -202.14 8.15 -8.45 -0.71 -1
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133582 51557723 1 SN2F3O3H16C18 AB2C3D3E16F18 -186.32 10.73 0.0 0.0 -1
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133583 51557770 1 ClN2S3O4C17H20 AB2C3D4E17F20 -65.92 7.54 0.0 0.0 2
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133584 51557959 1 BrSN3C6H14 ABC3D6E14 -4.87 3.84 -8.99 -0.46 1
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133585 51558306 1 FN2O2C23H24 AB2C2D23E24 -32.86 6.7 0.0 0.0 0
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133586 51558698 2 ClOSN3H7C8 ABCD3E7F8 28.52 2.32 -9.16 -1.19 -1
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133587 51558755 1 N4O7H19C26 A4B7C19D26 -58.79 9.34 0.0 0.0 1
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133588 51559071 1 N3O4C26H32 A3B4C26D32 -61.21 2.99 0.0 0.0 0
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133589 51559074 1 SN3O3C26H35 AB3C3D26E35 -102.58 9.58 -9.05 -0.24 0
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133590 51559440 1 FN2O3C28H31 AB2C3D28E31 -145.5 10.1 -8.36 -0.59 0
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133591 51559540 1 ClFOSN5C16H19 ABCDE5F16G19 -20.68 5.14 -9.41 -0.96 0
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133592 51560068 1 SO2N4C21H32 AB2C4D21E32 -71.22 3.68 -8.72 -0.44 0
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133593 51560098 1 SO2N4C21H32 AB2C4D21E32 -73.34 4.4 -8.88 -0.48 0
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133594 51560099 1 SO2N4C21H32 AB2C4D21E32 -72.79 5.15 -8.66 -0.36 0
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133595 51560250 1 SO2N5C19H29 AB2C5D19E29 -58.6 2.47 -8.86 -0.57 0
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133596 51560267 1 O2S2N5C25H39 A2B2C5D25E39 -92.23 2.97 -8.4 -0.75 0
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133597 51560363 1 S2O3N5C15H23 A2B3C5D15E23 -93.59 5.66 -8.75 -0.91 0
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133598 51560427 1 FOS2N4C16H21 ABC2D4E16F21 -41.06 5.51 -8.82 -1.04 0
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133599 51560428 1 FO2S2N6H17C19 AB2C2D6E17F19 -25.26 9.18 -8.35 -1.29 1
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133600 51560731 1 O2N4C8H15 A2B4C8D15 -57.93 5.13 0.0 0.0 0
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133601 51560734 1 O2N4C17H26 A2B4C17D26 -61.7 4.61 -8.95 -0.01 0
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133602 51560945 1 N3O4C21H35 A3B4C21D35 -161.79 3.99 -8.58 0.3 1
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133603 51560946 1 N3O4C21H36 A3B4C21D36 -139.85 2.46 0.0 0.0 0
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133604 51561368 1 NO8C27H27 AB8C27D27 -265.61 6.51 -8.52 -0.76 -1
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133605 51561468 1 ClSN3O5H9C15 ABC3D5E9F15 -50.82 7.91 0.0 0.0 0
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133606 51561671 1 SO4N6C15H18 AB4C6D15E18 -1.49 11.13 -9.3 -1.54 0
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133607 51562314 1 FNOC16H20 ABCD16E20 -71.47 5.03 -8.79 -0.07 0
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133608 51562315 1 FN2O3C21H23 AB2C3D21E23 -131.37 3.32 -8.52 -0.7 0
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133609 51562316 1 FN2O3C21H23 AB2C3D21E23 -137.29 5.81 -8.44 -0.1 0
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133610 51562346 1 ClFNOC16H19 ABCDE16F19 -78.48 4.27 -8.91 -0.43 0