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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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311544 126593639 1 NC21H43 AB21C43 -90.4 1.46 -8.64 3.02 0
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311545 126593750 1 NO4C18H31 AB4C18D31 -183.52 2.45 -8.92 0.24 0
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311546 126593786 1 ON2H16C20 AB2C16D20 57.44 3.27 -9.21 -0.87 0
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311547 126593787 1 N3H19C21 A3B19C21 99.58 2.9 -9.11 -0.77 0
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311548 126593788 1 FO4N5C18H18 AB4C5D18E18 -112.24 5.3 -9.31 -0.82 0
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311549 126593790 1 N3C13H19 A3B13C19 34.93 4.33 -8.94 -0.29 0
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311550 126593793 1 N3C11H13 A3B11C13 48.21 5.17 -9.25 -0.48 0
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311551 126593795 1 FO3N4H19C24 AB3C4D19E24 -60.99 5.12 -9.57 -1.56 0
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311552 126593796 1 FO2N3H18C23 AB2C3D18E23 -30.83 7.26 -9.33 -1.39 0
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311553 126593797 1 FN3O3C30H32 AB3C3D30E32 -114.59 6.53 -8.9 -0.8 0
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311554 126593798 1 ON3C8H17 AB3C8D17 -49.09 4.06 -8.37 0.38 0
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311555 126593799 1 FN3O3C29H32 AB3C3D29E32 -134.26 2.92 -9.14 -1.01 0
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311556 126593803 1 ON3C24H25 AB3C24D25 20.61 1.03 -9.18 -1.03 0
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311557 126593807 1 FON6C25H25 ABC6D25E25 22.38 2.2 -9.44 -1.39 0
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311558 126593811 1 O2N5C23H23 A2B5C23D23 21.14 2.8 -9.47 -1.43 0
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311559 126593819 1 N4C15H28 A4B15C28 32.59 4.79 -8.6 -0.04 0
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311560 126593822 1 N4C9H14 A4B9C14 38.11 1.36 -8.47 -0.12 0
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311561 126593823 1 FON4H5C6 ABC4D5E6 -27.57 9.56 -9.26 -0.3 0
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311562 126593824 1 FON5C7H12 ABC5D7E12 -54.13 3.4 -8.57 0.05 0
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311563 126593828 1 ON4C8H14 AB4C8D14 -18.74 5.53 -8.28 0.1 0
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311564 126593832 3 O2N3H11C19 A2B3C11D19 176.46 0.9 -8.66 -1.2 1
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311565 126593833 1 ClPH25C34 ABC25D34 155.0 9.9 0.0 0.0 0
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311566 126593835 1 SN10O10C58H104 AB10C10D58E104 -526.99 6.97 -8.21 -0.02 0
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311567 126593836 1 N4O4C21H40 A4B4C21D40 -234.38 0.65 -9.31 0.53 0
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311568 126593840 1 O5F6N9H29C58 A5B6C9D29E58 -36.02 2.63 -8.65 -1.57 0
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311569 126593848 1 FN3O4H16C18 AB3C4D16E18 -143.5 9.61 -8.85 -1.01 0
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311570 126593850 1 O2N5C10H13 A2B5C10D13 -11.15 3.25 -9.45 -0.88 0
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311571 126593855 1 ClN4C27H35 AB4C27D35 117.54 3.48 -8.62 -0.7 0
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311572 126593862 1 NOC13H15 ABC13D15 -23.31 2.15 -8.33 -0.42 0
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311573 126593892 3 SN2O3H18C19 AB2C3D18E19 -181.69 1.15 -8.81 -1.34 0
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311574 126593986 1 O5N9H41C61 A5B9C41D61 184.69 3.47 -8.68 -1.15 0
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311575 126594013 1 O3N5C30H33 A3B5C30D33 -15.21 5.33 -8.9 -0.66 0
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311576 126594039 1 BrClSN2O2H16C18 ABCD2E2F16G18 -19.34 7.58 -9.44 -1.4 0
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311577 126594042 1 ClO2N3H26C27 AB2C3D26E27 -22.64 3.55 -9.36 -1.24 0
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311578 126594047 1 ON2C28H28 AB2C28D28 39.47 4.04 -8.83 -0.53 0
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311579 126594048 1 N2O3H28C29 A2B3C28D29 -42.88 6.37 -8.95 -0.93 0
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311580 126594049 1 ON4C27H28 AB4C27D28 50.34 1.39 -8.89 -0.85 0
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311581 126594059 1 IO2C7H9 AB2C7D9 -73.37 4.2 -9.89 -1.2 0
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311582 126594060 1 ISN2O3C9H15 ABC2D3E9F15 -92.89 3.5 -9.52 -0.92 0
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311583 126594108 3 Cl2O2N3H9C19 A2B2C3D9E19 136.86 1.81 -8.68 -1.52 0
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311584 126594134 3 ClN3H8C16 AB3C8D16 337.39 0.71 -8.92 -1.48 0
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311585 126594136 1 PN10O10C20H25 AB10C10D20E25 -370.46 8.06 -9.16 -0.64 0
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311587 126594373 1 PS2O9N10C21H25 AB2C9D10E21F25 -229.76 10.26 -9.3 -1.48 0
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311589 126594376 1 FPSN4O5C13H14 ABCD4E5F13G14 -233.95 2.75 -8.88 -0.49 0
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311590 126594378 1 FPSO9N10C22H28 ABCD9E10F22G28 -372.38 8.6 -9.17 -0.81 0
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311591 126594387 1 FPSO8N10C22H28 ABCD8E10F22G28 -322.62 14.86 -9.16 -1.01 1
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311592 126595408 1 P2S2O8N9C22H28 A2B2C8D9E22F28 -279.69 11.72 0.0 0.0 0
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311593 126595415 1 NO7C28H33 AB7C28D33 -218.56 2.15 -7.89 -0.33 0
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311594 126595416 1 NO7C23H27 AB7C23D27 -241.32 5.25 -8.84 -0.48 0
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311595 126595417 1 O7C23H26 A7B23C26 -244.97 3.57 -8.68 -0.4 0
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311596 126595424 1 PS2F3O7N11C20H23 AB2C3D7E11F20G23 -355.74 12.82 -9.35 -1.42 1
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311597 126595429 1 P2N10O13C22H29 A2B10C13D22E29 -458.23 8.19 0.0 0.0 0
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311598 126595447 1 NO6H13C17 AB6C13D17 -193.12 3.34 -9.12 -1.16 0
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311599 126595449 1 FPSO8N11C19H23 ABCD8E11F19G23 -292.41 14.07 -9.1 -1.52 0
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311600 126595456 1 FP2N9O9C20H24 AB2C9D9E20F24 -248.57 17.95 -8.69 -1.16 1
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311601 126595459 1 P2N9O13C21H26 A2B9C13D21E26 -490.21 16.82 0.0 0.0 0
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311602 126595463 1 FNSO4C31H36 ABCD4E31F36 -131.36 4.46 -8.7 -0.43 0
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311603 126595464 1 FS2O4C28H31 AB2C4D28E31 -148.86 7.01 -8.96 -0.4 0
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311604 126595465 1 N6C9H16 A6B9C16 70.74 5.1 -9.03 -0.02 0
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311605 126595466 1 ON4C5H10 AB4C5D10 14.72 2.78 -8.6 -0.39 0
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311606 126595471 1 PF2O9N11C19H22 AB2C9D11E19F22 -378.56 15.69 -9.12 -1.77 0
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311607 126595472 1 PN10O10C20H25 AB10C10D20E25 -337.9 12.02 -9.28 -1.57 0
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311608 126595476 1 PF2O8N11C19H22 AB2C8D11E19F22 -334.86 14.63 -9.15 -1.36 0
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311609 126595539 1 O6H16C19 A6B16C19 -171.4 5.8 -8.98 -0.78 0
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311610 126595541 1 N2H20C23 A2B20C23 100.41 4.28 -8.64 -0.39 0
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311611 126595545 1 N3O3C25H25 A3B3C25D25 -39.39 4.71 -8.3 -0.74 0
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311612 126595559 1 BrN2H5F8C12 AB2C5D8E12 -338.6 1.92 -9.16 -1.69 0
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311613 126595565 1 BrN2H7F8C12 AB2C7D8E12 -348.2 6.63 -9.07 -1.25 0
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311614 126595566 1 FN6C28H43 AB6C28D43 -20.1 4.36 -9.36 -0.62 0
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311615 126595603 1 NC10H11 AB10C11 71.73 2.78 -8.98 -0.67 0
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311616 126595606 1 O3C17H20 A3B17C20 -36.88 4.61 -9.86 0.21 0
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311617 126595617 1 N3H35C50 A3B35C50 245.83 3.23 -8.73 -0.82 0
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311618 126595618 1 FN6C18H19 AB6C18D19 98.17 6.13 -8.44 -0.72 0
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311619 126595664 1 SO2N6C28H44 AB2C6D28E44 -69.12 9.09 -9.28 -0.81 0
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311620 126595687 1 N5H39C62 A5B39C62 331.32 6.05 -7.97 -1.1 0