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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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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