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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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329526 126737822 2 NO2C12H12 AB2C12D12 -88.69 2.81 -8.89 -0.88 0
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329527 126737824 1 NPO5C25H50 ABC5D25E50 -366.04 4.56 -9.45 0.43 1
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329528 126737837 1 PN2S3O6C67H140 AB2C3D6E67F140 -567.54 2.45 0.0 0.0 0
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329529 126737840 1 SO2N3C21H29 AB2C3D21E29 -79.3 2.98 -8.53 -0.67 0
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329530 126737851 1 NOSH21C38 ABCD21E38 147.82 2.28 -8.13 -1.07 0
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329531 126737854 1 OSN3H25C46 ABC3D25E46 213.13 1.47 -8.23 -1.48 0
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329532 126737873 1 NSH31C46 ABC31D46 177.47 1.87 -8.04 -0.93 0
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329533 126737875 1 OSN3H27C48 ABC3D27E48 223.31 4.17 -8.08 -1.32 0
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329534 126737879 1 N5O5C33H37 A5B5C33D37 -122.4 3.19 -8.24 -0.62 0
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329535 126737887 4 NOC7H7 ABC7D7 -36.73 7.73 -8.58 -0.84 0
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329536 126737888 1 N5O7C38H43 A5B7C38D43 -198.06 5.42 -8.23 -0.79 0
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329537 126737892 1 N5O6C36H39 A5B6C36D39 -139.12 8.9 -8.32 -0.66 0
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329538 126737894 1 ClN5O5C31H32 AB5C5D31E32 -112.71 7.65 -8.36 -0.56 0
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329539 126737901 1 N5O5C32H33 A5B5C32D33 -75.82 10.71 -8.45 -0.57 0
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329540 126737902 1 N5O5C32H35 A5B5C32D35 -113.74 7.26 -8.45 -0.49 0
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329541 126737906 1 N5O5C35H37 A5B5C35D37 -93.7 4.74 -8.01 -0.75 0
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329542 126737927 1 N2O5H22C23 A2B5C22D23 -137.31 6.14 -9.05 -1.08 0
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329543 126737931 1 NOPC7H14 ABCD7E14 -19.93 3.85 -8.49 0.53 0
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329544 126737980 1 ON3H25C44 AB3C25D44 202.03 3.36 -8.22 -1.11 0
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329545 126737985 1 O2N3H27C50 A2B3C27D50 201.35 3.18 -8.21 -1.13 0
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329546 126737986 1 SN3H27C48 AB3C27D48 257.33 3.15 -8.07 -1.22 0
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329547 126737995 1 SN2H30C52 AB2C30D52 249.91 2.58 -8.15 -1.25 0
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329548 126738009 1 PN2O3C39H79 AB2C3D39E79 -320.6 1.51 -9.11 0.86 0
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329549 126738044 1 NH23C39 AB23C39 176.58 1.87 -7.96 -0.78 0
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329550 126738073 1 O2N6C31H32 A2B6C31D32 49.38 7.06 -8.55 -1.35 0
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329552 126738095 1 OC20H34 AB20C34 -100.19 2.18 -9.03 1.57 0
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329553 126738157 1 OC24H38 AB24C38 -113.56 3.85 -9.64 0.85 0
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329554 126738159 1 BrN2H19C30 AB2C19D30 154.01 3.21 -9.01 -1.08 0
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329555 126738167 1 N3C11H17 A3B11C17 50.7 0.4 -8.59 -0.01 0
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329556 126738171 1 F3O5N6C37H41 A3B5C6D37E41 -269.63 10.6 -8.72 -1.12 0
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329557 126738216 1 O4N5C31H35 A4B5C31D35 -63.19 6.31 -7.99 -0.48 0
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329561 126738253 1 ClINO2H3C8 ABCD2E3F8 -22.21 4.79 -9.65 -1.8 0
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329562 126738321 1 N4O6H22C25 A4B6C22D25 -62.08 11.96 -8.57 -1.38 0
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329563 126738390 1 ClFO2H14C16 ABC2D14E16 -107.19 1.73 -9.42 -0.46 0
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329564 126738391 1 ClFO2H14C16 ABC2D14E16 -107.19 1.73 -9.42 -0.46 0
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329565 126738393 1 FN3C14H24 AB3C14D24 -32.04 2.4 -8.63 0.13 0
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329566 126738397 1 ON2F5H9C16 AB2C5D9E16 -214.59 3.76 -10.78 -1.65 0
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329567 126738399 1 SN2F4O4H20C22 AB2C4D4E20F22 -325.86 3.51 -9.8 -1.53 0
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329568 126738400 1 IC8H15 AB8C15 -3.53 2.03 -9.41 -0.47 0
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329569 126738405 1 NPO5C29H52 ABC5D29E52 -347.8 4.63 -8.32 0.4 0
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329570 126738408 1 PO5C28H49 AB5C28D49 -364.47 3.43 -8.43 0.25 0
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329571 126738422 1 ClSF2N5O5C25H26 ABC2D5E5F25G26 -215.06 2.18 -9.14 -1.22 0
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329572 126738437 1 NC16H31 AB16C31 -26.14 1.36 -8.85 1.16 0
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329573 126738446 1 PSO4N5C10H16 ABC4D5E10F16 -195.92 5.62 -8.62 -0.28 0
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329575 126738456 1 N3O3C21H29 A3B3C21D29 -137.33 1.61 -8.3 0.04 0
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329576 126738479 1 N3O3C24H35 A3B3C24D35 -153.6 1.76 -8.38 0.0 0
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329577 126738480 1 N3O3C23H33 A3B3C23D33 -149.13 3.02 -8.35 0.02 0
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329578 126738495 1 N3O3C26H39 A3B3C26D39 -168.27 3.04 -8.27 0.06 0
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329579 126738540 1 IF3C9H16 AB3C9D16 -186.9 1.24 -9.86 -0.9 0
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329580 126738561 1 F3O3N4H19C23 A3B3C4D19E23 -162.54 3.47 -8.95 -1.62 0
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329581 126738596 2 NH18C24 AB18C24 256.87 3.09 -7.76 -0.7 0
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329582 126738599 1 N2H42C51 A2B42C51 179.9 3.23 -7.87 -0.57 0
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329583 126738600 1 N2H34C49 A2B34C49 202.95 2.49 -7.82 -0.59 0
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329584 126738612 1 N2H40C55 A2B40C55 223.79 1.98 -7.97 -0.65 0
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329585 126738633 1 NSF2O2H13C17 ABC2D2E13F17 -100.04 0.94 -8.89 -1.26 0
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329586 126738640 2 NH18C23 AB18C23 158.51 1.69 -7.79 -0.6 0
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329587 126738671 1 SN5O6C31H37 AB5C6D31E37 -151.16 8.78 -8.74 -0.75 0
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329588 126738682 2 OC18H25 AB18C25 -112.93 2.51 -9.49 0.09 0
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329589 126738688 1 OSN4H16C20 ABC4D16E20 73.47 2.79 -8.64 -0.91 0
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329590 126738698 1 FN3O3C22H30 AB3C3D22E30 -192.37 4.43 -8.52 -0.22 0
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329591 126738735 3 NC11H13 AB11C13 93.59 6.11 -7.97 -0.24 0
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329592 126738740 1 N5O7C37H63 A5B7C37D63 -356.07 4.59 -9.15 0.02 0
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329593 126738786 2 BrSN2F3O3H15C21 ABC2D3E3F15G21 -355.81 23.84 -8.56 -2.27 2
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329594 126738791 4 NH8C10 AB8C10 200.8 1.86 -6.5 -0.66 2
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329595 126738811 2 N3H15C16 A3B15C16 169.8 6.01 -6.04 -0.04 0
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329596 126738823 1 N2S3F6O6C40H40 A2B3C6D6E40F40 -192.48 65.4 -8.36 -5.41 0
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329597 126738867 1 O3N4C12H22 A3B4C12D22 -93.29 4.18 -9.58 -0.07 0
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329598 126738873 1 NO4C18H25 AB4C18D25 -73.8 6.44 -10.17 -1.31 2
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329599 126738875 1 SN2H28C36 AB2C28D36 174.48 1.47 -6.43 -0.64 0
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329600 126738876 2 SN2F3O3H22C25 AB2C3D3E22F25 -251.31 13.66 -7.4 -1.04 0
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329601 126738925 2 NH20C25 AB20C25 174.66 2.9 -7.82 -0.65 0
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329602 126738937 1 BrO3N4C23H23 AB3C4D23E23 -63.85 6.1 -9.43 -1.36 0
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329603 126738938 1 BrO3N4C23H23 AB3C4D23E23 -58.3 6.22 -9.4 -1.39 0
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329604 126738961 1 FON5C28H34 ABC5D28E34 -39.79 9.39 -8.83 -1.36 0
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329605 126738971 1 OF3N5C25H28 AB3C5D25E28 -123.5 8.11 -9.01 -1.57 0
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329606 126739012 1 FO2N5C28H34 AB2C5D28E34 -80.06 7.8 -8.93 -1.45 0
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329607 126739046 1 FO2N5C26H30 AB2C5D26E30 -37.4 9.29 -8.94 -1.48 0
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329608 126739081 1 OF3N5C28H32 AB3C5D28E32 -133.59 8.36 -8.97 -1.51 0
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329609 126920291 1 N7H17C18 A7B17C18 166.92 5.77 -8.86 -1.25 0
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329610 126920294 1 ON8C14H16 AB8C14D16 114.42 7.47 -9.31 -1.18 0
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329611 126920296 1 SO3N7C17H17 AB3C7D17E17 75.59 10.55 -9.32 -1.09 0
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329612 126920297 1 SO2N7C15H23 AB2C7D15E23 27.09 9.14 -9.45 -1.09 0
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329613 126920339 1 SN7C16H19 AB7C16D19 130.34 8.95 -8.78 -0.97 0
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329614 126920350 1 N9C15H19 A9B15C19 156.16 7.86 -8.78 -1.13 0
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329615 126920353 1 FN8C13H13 AB8C13D13 116.89 7.95 -9.56 -1.15 0
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329616 126920354 2 N4C8H9 A4B8C9 145.97 9.27 -9.33 -1.01 0
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329617 126920360 3 N3C5H5 A3B5C5 199.35 9.91 -9.26 -1.06 0
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329618 126920363 1 ON6C15H22 AB6C15D22 50.42 10.08 -9.3 -0.97 0
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329619 126920365 1 SN6C14H20 AB6C14D20 107.54 6.56 -8.56 -1.1 0
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329620 126920369 1 SN7C13H15 AB7C13D15 141.83 7.33 -8.96 -1.14 0
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329621 126920373 1 N8C17H20 A8B17C20 136.74 7.84 -9.14 -1.14 0
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329622 126920374 1 ON8C18H18 AB8C18D18 115.81 6.64 -9.14 -1.07 0
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329623 126920378 1 N9C16H17 A9B16C17 169.14 8.32 -9.02 -1.13 0
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329624 126920384 1 N9C17H17 A9B17C17 180.5 4.34 -9.4 -1.28 0
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329625 126920385 1 N9H15C16 A9B15C16 188.32 7.97 -9.47 -1.32 0
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329626 126920387 1 ON9C17H17 AB9C17D17 129.34 8.73 -9.36 -1.19 0
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329627 126920397 1 ON6C15H20 AB6C15D20 61.91 5.22 -9.58 -1.2 0
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329628 126920401 1 OSN7H15C17 ABC7D15E17 134.72 6.6 -9.46 -1.55 0
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329629 126920403 1 ON8C18H18 AB8C18D18 130.49 5.66 -9.47 -1.18 0
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329630 126920404 1 ON8H16C18 AB8C16D18 149.32 4.43 -9.56 -1.64 0