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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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11632 118295 1 NPO6C40H85 ABC6D40E85 -453.62 3.51 0.0 0.0 1
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11634 118314 2 SN2O4C16H20 AB2C4D16E20 -233.78 4.53 -8.65 -0.98 0
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11635 118340 1 NSO3C5H13 ABC3D5E13 -108.91 10.82 -7.38 0.0 0
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11636 118376 1 N3S4O6H17C21 A3B4C6D17E21 -156.92 14.6 -8.52 -1.82 0
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11637 118390 1 NSO5C9H11 ABC5D9E11 -175.43 6.8 -9.98 -0.9 0
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11638 118408 1 ClON3C20H26 ABC3D20E26 16.82 8.2 -7.99 -1.87 0
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11639 118416 1 NPO3C10H12 ABC3D10E12 -132.82 7.76 -9.82 -0.73 0
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11640 118425 1 N2C7H10 A2B7C10 15.09 2.59 -8.82 0.22 0
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11641 118428 1 ClON2C15H21 ABC2D15E21 -33.31 4.07 -8.82 0.05 0
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11642 118430 1 N2O4H16C17 A2B4C16D17 -101.06 4.73 -7.96 -1.34 0
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11643 118435 1 SN2O6C13H18 AB2C6D13E18 -163.97 1.09 -9.84 -1.46 0
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11644 118443 1 BrNC8H20 ABC8D20 -50.09 1.97 -8.62 1.15 0
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11646 118460 1 NO4C13H19 AB4C13D19 -184.42 1.96 -8.93 0.19 0
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11647 118492 1 O2C11H14 A2B11C14 -90.28 2.2 -9.53 -0.28 0
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11648 118494 1 CaO8H14C16 AB8C14D16 -404.06 11.28 -9.18 -0.97 0
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11649 118541 1 SN2O6H32C34 AB2C6D32E34 -89.92 14.74 -8.98 -1.17 0
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11650 118551 1 Br4O4H16C19 A4B4C16D19 -124.65 1.19 -9.65 -0.72 0
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11651 118557 1 SN2O4C13H14 AB2C4D13E14 -118.78 5.52 -8.17 -0.62 0
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11652 118558 2 NO2C4H4 AB2C4D4 -60.48 6.39 -9.9 -1.38 0
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11653 118560 2 ClOH6C15 ABC6D15 31.82 0.5 -8.92 -2.51 0
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11654 118568 1 O2N3H9C10 A2B3C9D10 -17.95 2.64 -9.06 -0.45 0
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11655 118569 1 NSO2C9H13 ABC2D9E13 -66.75 4.39 -9.56 0.19 0
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11656 118594 1 N3C6H17 A3B6C17 -0.31 2.05 -8.76 2.44 0
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11657 118629 1 O3C10H12 A3B10C12 -127.62 3.19 -9.04 -0.67 0
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11658 118633 1 SSeN2O3C23H25 ABC2D3E23F25 -57.02 4.23 0.0 0.0 1
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11659 118704 1 OC12H18 AB12C18 -54.11 2.41 -9.11 0.59 0
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11660 118741 1 ON4C22H30 AB4C22D30 6.88 6.71 -8.22 -0.2 0
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11661 118744 3 O2C9H14 A2B9C14 -308.7 2.94 -10.77 -1.48 0
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11662 118745 1 OC10H18 AB10C18 -52.83 3.7 -9.92 -0.19 0
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11663 118746 1 N3C7H17 A3B7C17 1.48 1.75 -8.7 2.62 0
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11664 118752 1 NO4C19H21 AB4C19D21 -109.03 4.15 -8.62 -0.27 0
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11665 118753 1 ClNC7H18 ABC7D18 -66.0 1.62 -8.74 2.02 0
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11666 118761 1 N2O3C22H28 A2B3C22D28 -110.04 1.95 -8.5 -0.55 0
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11667 118764 1 N2C15H28 A2B15C28 -33.18 4.15 -8.8 0.97 0
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11668 118775 2 OC8H15 AB8C15 -139.15 1.81 -9.52 0.86 0
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11669 118781 3 H6C7 A6B7 55.82 1.38 -7.95 -0.64 0
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11670 118783 1 OS2C5H10 AB2C5D10 -36.6 3.96 -8.79 -0.5 0
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11671 118786 2 OC5H9 AB5C9 -122.02 3.06 -10.43 -0.16 0
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11672 118798 1 NOC11H18 ABC11D18 -44.76 3.28 0.0 0.0 1
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11673 118803 1 O2F4H6C9 A2B4C6D9 -248.21 3.0 -9.92 -1.12 0
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11674 118843 1 NO4C18H33 AB4C18D33 -216.41 2.47 -9.84 0.74 0
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11675 118860 1 ON2H7C8 AB2C7D8 40.45 5.59 0.0 0.0 1
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11676 118861 1 SO3C19H38 AB3C19D38 -188.05 3.36 -9.19 0.21 0
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11677 118862 1 Cl2O2N5C25H29 A2B2C5D25E29 89.72 9.39 -8.74 -1.71 0
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11678 118904 1 ON2C12H24 AB2C12D24 -64.79 1.73 -9.0 0.89 0
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11679 118955 1 NO2S2C5H5 AB2C2D5E5 -50.96 4.99 -9.4 -1.24 0
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11680 119046 1 NSO6C26H45 ABC6D26E45 -334.55 5.7 -10.21 -0.01 0
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11681 119091 2 O5C14H15 A5B14C15 -364.93 1.9 -9.36 -0.73 0
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11682 119143 1 TiO6C24H28 AB6C24D28 -252.51 9.93 -7.86 -1.47 0
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11683 119147 1 O16C45H66 A16B45C66 -666.29 6.12 -8.99 -0.61 0
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11684 119167 1 SN2O3C10H10 AB2C3D10E10 -80.11 5.18 -9.35 -1.38 0
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11685 119195 1 ClNO2C17H28 ABC2D17E28 -113.58 4.38 -8.04 0.31 0
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11686 119199 1 O4H12C15 A4B12C15 -122.46 6.84 -9.16 -0.71 0
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11687 119201 1 ON2C15H24 AB2C15D24 -69.6 5.56 -8.64 1.59 0
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11688 119203 3 O2H4C5 A2B4C5 -200.52 3.11 -8.6 -1.11 0
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11689 119215 1 N2O4C29H38 A2B4C29D38 -115.29 6.83 -7.6 0.04 0
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11691 119261 2 OC5H5 AB5C5 -57.39 3.14 -9.39 -0.56 0
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11692 119262 1 C2N2O3H6 A2B2C3D6 -52.95 3.17 -10.8 -0.62 0
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11693 119263 1 O3N4C11H14 A3B4C11D14 18.44 5.53 -9.62 -1.48 0
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11694 119270 1 ClO5C6H11 AB5C6D11 -230.89 0.99 -10.5 -0.3 0
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11695 119285 1 N2O5C22H28 A2B5C22D28 -184.06 4.42 -9.58 -0.79 0
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11697 119306 2 O2C19H23 A2B19C23 -114.0 2.74 -8.53 0.01 0
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11698 119316 1 N2S2O10C17H22 A2B2C10D17E22 -351.49 9.76 -8.74 -0.91 0
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11699 119349 1 SN2O5C31H38 AB2C5D31E38 -132.81 8.94 -8.23 -0.65 0
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11700 119357 1 O2N6C27H38 A2B6C27D38 -43.42 5.44 -8.29 -0.92 0
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11701 119359 1 NCl2O4H11C12 AB2C4D11E12 -153.93 5.26 -9.87 -1.0 0
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11702 119376 1 SN3O4C19H27 AB3C4D19E27 -143.62 4.32 -8.8 -0.4 0
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11703 119387 1 FNO5C19H20 ABC5D19E20 -142.0 3.4 -9.65 -0.98 0
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11704 119388 1 CO2 AB2 -84.81 0.0 -12.99 0.25 0
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11705 119389 1 O2C8H15 A2B8C15 -70.46 3.69 0.0 0.0 -1
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11706 119396 5 OH2C3 AB2C3 -164.58 3.35 -9.39 -1.49 0
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11707 119397 1 NS2O9C10H17 AB2C9D10E17 -329.87 6.41 -9.56 -0.94 0
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11708 119411 1 PO6C9H15 AB6C9D15 -287.41 7.32 -10.01 0.16 0
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11709 119457 1 ClO7C9H19 AB7C9D19 -308.62 3.0 -10.55 0.4 0
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11710 119473 1 O5C24H40 A5B24C40 -291.51 5.54 -9.87 0.69 0
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11711 119486 1 Cl2O2N7C17H25 A2B2C7D17E25 -41.58 4.53 -8.38 -0.17 0
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11712 119487 1 IN2S2C25H27 AB2C2D25E27 99.07 2.36 -7.86 -0.61 0
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11713 119617 1 SN2O5C14H20 AB2C5D14E20 -197.79 3.42 -9.4 -0.81 0
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11714 119623 1 N2Na3P3C10O14H17 A2B3C3D10E14F17 -828.63 7.12 0.0 0.0 3
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11715 119630 1 O2N3C6H9 A2B3C6D9 -42.59 4.31 -10.08 0.05 0
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11716 119632 1 OC8H14 AB8C14 -71.68 3.32 -9.68 0.82 0
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11717 119638 1 MgNC4O4H5 ABC4D4E5 -145.99 13.05 -9.31 -2.75 0
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11718 119641 1 ClN2O3C24H35 AB2C3D24E35 -128.2 5.62 -8.64 -0.11 0
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11719 119668 1 NO2C12H25 AB2C12D25 -110.16 12.71 -9.22 -0.06 0
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11720 119709 1 O3C13H18 A3B13C18 -127.2 2.39 -9.31 -0.39 0
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11721 119712 1 O2N3H14C15 A2B3C14D15 18.48 7.59 0.0 0.0 1
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11722 119728 1 O4C19H36 A4B19C36 -255.67 2.82 -10.56 0.7 0
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11723 119843 1 Cl3O4C16H21 A3B4C16D21 -191.95 3.5 -9.17 -0.81 0
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11724 119878 1 N2O2H20C27 A2B2C20D27 28.09 2.28 -7.91 -1.59 0
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11725 119897 1 OC13H22 AB13C22 -61.15 2.66 -9.17 1.0 0
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11726 119920 1 C2Sn2O3H6 A2B2C3D6 -44.94 5.52 -10.19 -0.61 0
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11727 119923 1 ClO2C9H9 AB2C9D9 -67.62 2.46 -9.18 -0.51 0
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11728 119944 2 OC8H14 AB8C14 -113.3 4.14 -9.69 -0.55 0
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11729 119964 1 NO2C13H19 AB2C13D19 -88.93 1.12 -8.15 0.63 0
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11730 119986 1 ON2C9H14 AB2C9D14 -34.17 2.09 -8.91 0.85 0
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11731 119988 2 C8H9 A8B9 18.95 0.89 -9.07 0.18 0
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11732 120008 2 C17H28 A17B28 -79.65 0.04 -8.45 -0.21 0
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11733 120017 1 S4N6O15H28C35 A4B6C15D28E35 -383.84 8.04 -9.0 -2.1 0
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11734 120029 2 O5H14C17 A5B14C17 -288.2 10.61 -9.15 -1.48 0
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11735 120042 3 NC7H8 AB7C8 68.29 1.45 0.0 0.0 1