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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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229370 87567493 2 O2C12H23 A2B12C23 -272.21 8.92 -10.4 0.6 0
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229371 87567494 2 O2C12H23 A2B12C23 -279.6 0.14 -10.68 0.86 0
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229372 87567495 1 SN4O5C26H30 AB4C5D26E30 -148.04 6.98 -9.1 -1.24 0
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229373 87567496 1 SN4O5C26H28 AB4C5D26E28 -96.59 14.62 -8.86 -0.97 0
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229374 87567497 1 PF2O5C14H19 AB2C5D14E19 -377.9 3.61 -10.0 -0.66 0
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229376 87567499 1 ClFSN3O4C23H29 ABCD3E4F23G29 -183.13 5.27 -8.81 -0.23 0
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229377 87567500 1 ClFSN3O4C23H29 ABCD3E4F23G29 -177.1 5.24 -8.56 -0.36 0
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229378 87567503 1 SO5C6H8 AB5C6D8 -181.86 7.01 -11.13 -1.28 0
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229379 87567505 1 IPF2O3C8H8 ABC2D3E8F8 -248.41 5.31 -9.1 -1.2 0
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229380 87567507 1 BrPF2N2O3C17H26 ABC2D2E3F17G26 -282.77 2.2 -8.51 -0.46 0
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229381 87567509 1 O4C13H24 A4B13C24 -226.07 7.88 -10.38 0.13 0
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229382 87567516 3 NOC7H13 ABC7D13 -54.7 0.94 -8.67 -0.26 0
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229383 87567518 1 FON2S2C20H21 ABC2D2E20F21 8.68 4.39 -9.08 -0.7 0
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229384 87567519 2 NO2C11H11 AB2C11D11 -42.06 5.0 -8.88 -1.14 1
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229385 87567522 1 NPSO2C9H21 ABCD2E9F21 -138.88 1.87 0.0 0.0 0
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229386 87567525 1 SO2C20H30 AB2C20D30 -58.64 2.36 -9.38 -0.3 0
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229387 87567531 1 S2N4O9C20H32 A2B4C9D20E32 -394.01 7.39 -9.68 -0.84 0
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229388 87567532 1 SF3N3O5C17H22 AB3C3D5E17F22 -339.73 6.14 -8.81 -0.84 0
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229389 87567533 1 SN3O3C15H21 AB3C3D15E21 -100.04 6.27 -8.7 -0.29 0
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229390 87567534 1 FCl2O2S2N4C21H25 AB2C2D2E4F21G25 -71.74 5.22 -9.07 -1.45 0
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229391 87567535 1 FO2S2N4C21H23 AB2C2D4E21F23 -2.56 4.58 -8.98 -1.41 0
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229392 87567540 1 ClN2F7H18C23 AB2C7D18E23 -326.09 6.94 -9.53 -1.25 0
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229393 87567542 2 O2C8H15 A2B8C15 -238.21 1.54 -10.88 0.72 0
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229394 87567543 1 S2F3O5C35H47 A2B3C5D35E47 -349.17 3.8 -8.58 -1.5 0
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229395 87567544 1 SF3O5C35H45 AB3C5D35E45 -347.72 3.92 -8.56 -1.49 0
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229396 87567545 1 S2F3O5C35H47 A2B3C5D35E47 -323.8 21.81 -8.28 -2.28 0
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229397 87567546 1 O4C17H32 A4B17C32 -241.46 3.76 -10.76 0.41 0
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229398 87567548 1 S2F3O5C35H47 A2B3C5D35E47 -317.19 31.73 -9.0 -1.68 1
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229399 87567549 1 PN2O3C10H18 AB2C3D10E18 -88.39 1.06 0.0 0.0 0
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229400 87567550 2 NC5H8 AB5C8 60.92 1.25 -8.2 0.58 0
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229402 87567552 1 SF3N4O5C18H25 AB3C4D5E18F25 -333.31 3.04 -9.32 -0.61 0
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229403 87567554 1 ClFSN2O2C20H22 ABCD2E2F20G22 -41.54 3.44 -8.92 -0.58 0
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229404 87567556 1 S3N6O12H54C55 A3B6C12D54E55 -249.99 6.11 -8.78 -1.16 0
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229405 87567563 1 SF3O4N5C19H22 AB3C4D5E19F22 -217.8 5.44 -9.22 -0.8 0
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229406 87567565 1 N7O8C52H69 A7B8C52D69 -307.0 5.45 -8.51 -0.33 0
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229407 87567566 1 FN6O13C48H71 AB6C13D48E71 -622.08 13.24 -8.91 -0.81 0
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229408 87567567 2 O2C8H15 A2B8C15 -238.0 6.33 -10.68 0.56 0
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229409 87567572 1 ClFSN3O3C22H25 ABCD3E3F22G25 -111.31 2.69 -9.05 -0.41 0
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229410 87567573 1 FSN3O3C22H24 ABC3D3E22F24 -75.52 3.07 -8.71 -0.36 0
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229411 87567574 2 N2O2C7H10 A2B2C7D10 -122.57 5.13 -8.18 -0.84 0
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229412 87567577 1 ClSi2N5O6C52H58 AB2C5D6E52F58 -138.08 9.7 -7.63 -0.78 0
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229413 87567579 1 ClO5C18H27 AB5C18D27 -247.04 3.94 -9.57 0.28 0
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229414 87567581 1 SN2O2H28C30 AB2C2D28E30 48.92 3.98 -8.79 -0.69 0
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229415 87567582 1 NO2F3C20H28 AB2C3D20E28 -262.41 6.12 -10.04 -0.82 0
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229416 87567585 1 NO5C18H27 AB5C18D27 -211.46 6.49 -9.12 -0.52 0
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229417 87567587 1 FSN3O3C25H30 ABC3D3E25F30 -85.29 3.73 -8.7 -0.31 0
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229418 87567589 1 ClFSN3O3C25H31 ABCD3E3F25G31 -117.07 10.27 -8.62 -0.11 0
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229419 87567591 1 ClFSN3O3C25H31 ABCD3E3F25G31 -124.3 3.93 -8.84 -0.22 0
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229421 87567598 1 ClO2C4H7 AB2C4D7 -116.84 2.53 -10.33 -1.08 0
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229422 87567601 1 NO7C32H33 AB7C32D33 -238.42 5.36 -8.78 -0.4 0
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229423 87567610 4 NOH4C5 ABC4D5 -6.13 6.49 -8.65 -1.73 0
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229424 87567621 1 SF3N4O5C16H21 AB3C4D5E16F21 -316.19 3.94 -9.06 -0.37 0
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229425 87567623 1 CoC3H4O5 AB3C4D5 -185.7 7.03 0.0 0.0 0
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229426 87567624 1 NO2C18H31 AB2C18D31 -125.95 4.95 -9.65 0.47 0
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229427 87567626 1 O5C10H22 A5B10C22 -263.95 3.2 -10.56 0.8 0
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229428 87567629 1 OSN3C12H15 ABC3D12E15 9.95 3.44 -9.03 -0.82 0
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229429 87567631 1 O4N7C28H35 A4B7C28D35 -61.38 2.2 -8.04 -0.76 0
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229430 87567633 1 O5C8H18 A5B8C18 -255.06 5.85 -10.24 0.72 0
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229431 87567635 1 S2Cl4N4O5H12C22 A2B4C4D5E12F22 -79.62 12.1 -9.34 -2.6 0
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229432 87567636 1 ClON3H12C13 ABC3D12E13 31.42 2.18 -9.63 -1.04 0
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229433 87567637 1 S4N6O17C64H70 A4B6C17D64E70 -505.92 8.29 -8.72 -1.14 0
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229434 87567639 1 ClSO2N5C22H24 ABC2D5E22F24 -31.73 6.26 -8.76 -0.79 0
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229435 87567640 1 NOS2C6H9 ABC2D6E9 -42.02 2.71 -8.98 -0.2 0
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229436 87567647 1 FSN3O3C25H30 ABC3D3E25F30 -88.78 4.71 -9.01 -0.13 0
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229437 87567649 1 O7C8H16 A7B8C16 -330.89 7.5 -10.48 0.02 -1
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229438 87567651 1 N11O16C78H124 A11B16C78D124 -761.36 6.76 0.0 0.0 0
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229439 87567655 1 SN3O6C26H39 AB3C6D26E39 -240.01 3.62 -8.73 -0.57 0
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229440 87567663 1 PSF2N3O6C36H44 ABC2D3E6F36G44 -354.61 5.21 -8.97 -1.08 0
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229441 87567673 1 BrPO6C12H16 ABC6D12E16 -287.41 4.39 -9.1 -0.67 0
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229442 87567675 1 N2O5C7H14 A2B5C7D14 -183.88 6.54 -9.8 -0.54 0
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229443 87567676 1 ClFSN3O4C21H21 ABCD3E4F21G21 -151.9 6.6 -9.2 -1.1 0
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229444 87567677 1 N11O14C62H113 A11B14C62D113 -757.58 7.26 -9.24 0.2 0
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229445 87567678 1 SN3O4F6H17C20 AB3C4D6E17F20 -434.81 4.08 -9.9 -1.41 0
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229446 87567680 1 FSO3N5C20H22 ABC3D5E20F22 -33.43 4.38 -9.19 -1.28 0
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229447 87567682 1 SN5O5H21C22 AB5C5D21E22 -70.61 6.52 -9.28 -1.15 0