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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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334762 127253437 2 N2O3C15H21 A2B3C15D21 -200.33 11.78 -8.44 -0.71 0
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334763 127253438 1 O11H20C27 A11B20C27 -341.04 3.84 -8.58 -1.07 0
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334764 127253439 1 N3O6C22H25 A3B6C22D25 -203.13 3.53 -8.27 -0.52 0
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334765 127253440 1 N5O6C39H49 A5B6C39D49 -123.33 7.5 -8.52 -1.07 0
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334766 127253441 2 NO2H11C14 AB2C11D14 -31.69 2.83 -8.4 -1.63 0
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334767 127253442 1 N4O6C29H40 A4B6C29D40 -192.27 10.22 -8.13 -0.71 0
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334768 127253443 1 ON4C26H30 AB4C26D30 26.39 4.78 -8.78 -1.12 0
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334769 127253444 1 ClN2O8C27H27 AB2C8D27E27 -275.06 5.57 -9.01 -0.74 0
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334770 127253445 1 O4N5H29C31 A4B5C29D31 44.26 4.67 -8.62 -1.13 0
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334771 127253446 1 NO5H21C22 AB5C21D22 -126.72 4.12 -8.31 -1.38 0
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334772 127253447 1 O8H18C27 A8B18C27 -187.27 8.03 -9.02 -1.46 0
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334773 127253448 1 O2N3C22H23 A2B3C22D23 -46.11 8.53 -8.44 -0.14 0
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334774 127253449 1 N5O7C24H25 A5B7C24D25 -154.99 9.3 -8.93 -1.43 0
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334775 127253450 4 O2H6C7 A2B6C7 -212.75 4.83 -8.36 -1.28 0
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334776 127253451 1 ClSN3O5C23H26 ABC3D5E23F26 -148.22 6.03 -8.61 -0.53 0
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334777 127253452 1 N3O4H25C29 A3B4C25D29 -37.89 3.77 -8.4 -1.45 0
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334779 127253454 1 ClNO6C19H22 ABC6D19E22 -218.22 3.03 -8.85 -0.39 0
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334780 127253455 1 O2N6C25H34 A2B6C25D34 5.41 6.77 -8.44 -0.92 0
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334781 127253456 1 N5O6C39H53 A5B6C39D53 -144.23 7.21 -8.26 -1.08 0
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334782 127253457 1 N4O5C22H22 A4B5C22D22 -27.9 5.37 -8.94 -1.67 0
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334783 127253458 1 N4O5C24H26 A4B5C24D26 -134.0 3.12 -8.68 -0.91 0
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334784 127253459 1 N4O8C23H24 A4B8C23D24 -223.06 3.79 -8.64 -0.88 0
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334785 127253460 1 N4O7C40H58 A4B7C40D58 -151.24 9.66 -8.21 -0.57 0
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334786 127253461 1 O2N3C20H23 A2B3C20D23 -26.66 8.43 -8.23 -0.21 0
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334789 127253464 1 N2O5H16C25 A2B5C16D25 -96.89 3.83 -8.93 -1.62 0
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334790 127253465 1 N3O5C21H21 A3B5C21D21 -92.99 11.05 -8.81 -1.32 0
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334791 127253466 1 ClN5O7C27H28 AB5C7D27E28 -124.12 4.61 -8.53 -1.99 0
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334792 127253467 1 N2O4H26C27 A2B4C26D27 -101.86 5.52 -8.11 -1.13 0
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334793 127253468 1 O3N6H24C25 A3B6C24D25 -15.62 4.63 -9.01 -0.86 0
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334794 127253469 1 NO5H21C26 AB5C21D26 -102.01 4.04 -8.59 -1.58 0
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334795 127253470 1 N2O7C27H28 A2B7C27D28 -203.05 5.82 -8.0 -0.92 0
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334796 127253471 1 N6O8C39H48 A6B8C39D48 -198.04 5.52 -8.07 -0.46 0
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334797 127253472 1 N4O6C25H26 A4B6C25D26 -201.33 7.08 -8.79 -0.63 0
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334798 127253473 1 S2N5O8C35H49 A2B5C8D35E49 -264.81 11.83 -8.33 -0.68 0
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334799 127253474 1 N4O6C35H40 A4B6C35D40 -152.07 8.64 -8.04 -0.42 0
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334800 127253475 1 O3N5H23C24 A3B5C23D24 -26.52 3.54 -9.12 -0.9 0
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334801 127253476 2 N2O3H12C13 A2B3C12D13 -112.99 4.94 -8.44 -1.45 0
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334802 127253477 1 ClN3O7H20C24 AB3C7D20E24 -192.29 4.81 -8.96 -1.46 0
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334803 127253478 1 ClN2O7C23H25 AB2C7D23E25 -190.11 6.51 -7.54 -0.64 1
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334804 127253479 1 N2O7C23H25 A2B7C23D25 -192.6 10.93 0.0 0.0 0
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334805 127253480 1 NO7H23C26 AB7C23D26 -174.05 3.6 -8.36 -1.57 0
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334806 127253481 1 N5O6C36H43 A5B6C36D43 -154.14 4.85 -8.63 -0.55 0
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334807 127253482 1 O3N4H24C26 A3B4C24D26 -43.02 4.98 -9.07 -0.86 0
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334808 127253483 1 ClN2O5H23C25 AB2C5D23E25 -117.85 7.03 -8.8 -0.52 0
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334809 127253484 1 N2O5C19H24 A2B5C19D24 -193.65 5.5 -9.01 -0.57 0
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334810 127253485 1 ClNO8H20C23 ABC8D20E23 -261.46 5.62 -9.35 -0.99 0
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334811 127253486 1 ClN2O7H23C24 AB2C7D23E24 -220.88 4.98 -9.04 -0.49 0
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334812 127253487 1 N3O4H21C22 A3B4C21D22 -107.36 4.93 -8.68 -0.61 0
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334813 127253488 2 NO3H12C14 AB3C12D14 -137.53 4.33 -8.48 -1.46 0
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334814 127253489 2 N2O4C16H17 A2B4C16D17 -234.95 7.7 -8.45 -0.7 0