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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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328545 126724401 1 ClN3O5C25H26 AB3C5D25E26 -157.23 3.19 -9.37 -1.19 0
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328546 126724405 1 ClN2O5C26H27 AB2C5D26E27 -178.79 7.27 -9.39 -0.97 0
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328547 126724418 1 SN2O4C25H28 AB2C4D25E28 -114.75 4.92 -9.03 -1.01 0
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328548 126724430 1 NOC11H15 ABC11D15 12.4 1.95 -8.81 0.3 0
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328549 126724446 1 NO6C22H23 AB6C22D23 -187.2 7.73 -9.36 -0.51 0
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328550 126724447 1 NO5C26H33 AB5C26D33 -223.02 5.18 -9.32 -0.46 0
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328552 126724480 1 N12O15C65H116 A12B15C65D116 -526.72 14.68 -6.99 -2.18 0
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328553 126724486 1 N2O5C25H30 A2B5C25D30 -189.69 5.55 -9.38 -0.45 0
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328554 126724496 2 C2H3N3 A2B3C3 112.88 2.46 -8.74 -0.68 0
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328555 126724519 1 NO2C17H23 AB2C17D23 -65.03 2.8 -8.36 -0.39 0
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328556 126724520 1 ON3C12H19 AB3C12D19 -31.26 1.49 -9.27 -0.16 0
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328557 126724523 1 F3N3C16H24 A3B3C16D24 -162.97 3.91 -8.53 0.14 0
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328558 126724533 1 SN4C15H26 AB4C15D26 8.64 3.6 -8.67 -0.05 0
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328559 126724678 1 SN2C9H10 AB2C9D10 56.73 1.24 -9.17 -1.34 0
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328560 126724681 1 ON2C12H18 AB2C12D18 8.74 3.75 -9.09 0.04 0
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328561 126724760 1 SN4O5C29H40 AB4C5D29E40 -193.14 10.7 -8.82 -1.11 0
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328562 126724761 1 Cl2N2O3H20C21 A2B2C3D20E21 -85.32 3.64 -8.61 -0.83 0
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328563 126724769 1 NCl2O4H19C21 AB2C4D19E21 -123.53 3.96 -9.27 -0.94 0
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328564 126724876 1 ON6C33H56 AB6C33D56 -43.06 5.71 -8.2 -0.28 0
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328565 126725060 1 NO2C9H13 AB2C9D13 -43.38 4.47 -9.6 0.46 0
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328566 126725193 1 F3O3C20H21 A3B3C20D21 -245.97 5.15 -9.24 -0.81 0
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328567 126725232 1 F2O3C14H18 A2B3C14D18 -226.45 6.09 -9.9 -0.41 0
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328568 126725234 1 F3O3C21H29 A3B3C21D29 -302.6 7.38 -9.72 -0.31 0
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328569 126725245 1 OF3N5H22C23 AB3C5D22E23 -68.89 4.63 -8.9 -0.78 0
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328570 126725274 1 F5O5H23C27 A5B5C23D27 -392.58 10.1 -9.63 -1.47 0
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328571 126725280 1 O4F5C27H31 A4B5C27D31 -428.95 7.13 -9.43 -0.48 0
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328572 126725291 1 O4F7C35H37 A4B7C35D37 -499.04 11.58 -9.56 -1.1 0
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328573 126725336 1 ClN3O4C33H38 AB3C4D33E38 -134.31 3.34 -9.1 -0.82 0
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328574 126725427 1 O7N9C62H83 A7B9C62D83 -288.85 1.93 -9.19 -0.4 0
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328575 126725434 1 FSO7N9C61H80 ABC7D9E61F80 -333.33 7.93 -8.63 -0.16 0
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328576 126725452 1 ClSO4N5C17H26 ABC4D5E17F26 -105.99 4.34 -8.79 -0.92 0
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328577 126725571 1 FS4N8O8H35C49 AB4C8D8E35F49 18.08 5.96 -8.11 -1.18 0
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328578 126725641 1 ON2C18H20 AB2C18D20 26.05 3.3 -7.94 -0.91 0
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328579 126725643 1 F2O3N7C31H33 A2B3C7D31E33 -101.54 3.79 -8.33 -1.18 0
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328580 126725674 1 NO2C13H13 AB2C13D13 -46.23 4.29 -9.1 -0.72 1
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328581 126725690 1 NO6C13H18 AB6C13D18 -234.73 1.33 0.0 0.0 0
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328582 126725692 2 FNOSC11H12 ABCDE11F12 -164.3 8.1 -8.7 -1.03 0
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328583 126725695 1 F3C13H21 A3B13C21 -185.78 4.02 -10.03 0.38 0
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328584 126725740 1 NO4C11H17 AB4C11D17 -172.79 3.62 -9.82 -0.15 0
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328585 126725741 1 NO4C17H29 AB4C17D29 -218.17 1.77 -9.59 -0.13 0
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328586 126725757 1 NO4C25H49 AB4C25D49 -277.57 0.78 -9.53 0.65 0
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328587 126725787 1 SN2O5H26C27 AB2C5D26E27 -137.23 11.27 -8.39 -1.58 0
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328588 126725795 1 N2O3H34C45 A2B3C34D45 119.02 2.31 -7.78 -0.76 0
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328589 126725812 1 NOC13H23 ABC13D23 -50.69 1.61 -8.46 1.2 0
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328590 126725815 1 NO13C36H41 AB13C36D41 -507.54 4.95 -8.7 -1.68 0
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328591 126725825 2 OSN2H12C16 ABC2D12E16 96.39 0.95 -8.48 -2.6 0
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328592 126725842 2 OC22H25 AB22C25 -65.29 5.06 -8.69 0.24 0
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328593 126725846 1 OC9H20 AB9C20 -89.7 1.92 -10.04 2.93 0
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328594 126725847 1 NC9H21 AB9C21 -40.79 2.07 -9.05 3.58 0
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328595 126725871 1 NH21C22 AB21C22 95.45 3.81 -8.68 -0.93 0