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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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398594 135034158 1 OS2C26H26 AB2C26D26 43.92 3.03 -8.69 -0.47 0
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398595 135034159 1 NCl3H18C22 AB3C18D22 50.36 2.09 -9.14 -0.77 0
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398596 135034169 1 O4C23H32 A4B23C32 -176.74 4.05 -8.31 0.28 0
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398597 135034172 1 ON2C21H22 AB2C21D22 13.34 2.48 -7.87 0.1 0
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398598 135034182 1 NO5C18H19 AB5C18D19 -163.19 6.81 -9.72 -0.38 0
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398600 135034196 1 N2O2C23H28 A2B2C23D28 -20.56 5.03 -8.36 -0.79 0
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398601 135034197 1 NO3C22H23 AB3C22D23 -46.53 1.89 -9.23 -1.04 0
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398603 135034212 1 SO3H16C17 AB3C16D17 -50.93 3.22 -8.6 -0.65 0
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398604 135034219 1 SN2C16H16 AB2C16D16 60.39 2.88 -8.56 -0.61 0
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398605 135034220 1 SN2H14C18 AB2C14D18 97.42 3.49 -8.6 -0.76 0
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398606 135034237 1 N2O7C24H30 A2B7C24D30 -260.02 5.77 -8.4 -0.04 0
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398607 135034241 1 NO6C26H27 AB6C26D27 -137.8 5.31 -8.32 -0.83 0
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398608 135034242 1 N7O9C49H67 A7B9C49D67 -367.25 5.18 -9.23 -0.22 0
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398609 135034247 1 O3C21H26 A3B21C26 -86.38 4.34 -8.77 0.18 0
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398610 135034251 1 OC13H18 AB13C18 -32.59 2.5 -9.42 0.34 0
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398611 135034260 1 ClNSO3C16H16 ABCD3E16F16 -79.17 4.62 -9.5 -1.14 0
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398612 135034261 1 NSO3H15C16 ABC3D15E16 -39.6 5.83 -9.37 -0.76 0
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398613 135034269 1 C19H28 A19B28 0.71 0.36 -8.77 0.14 0
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398614 135034271 1 OH26C30 AB26C30 114.03 2.4 -8.08 -0.42 0
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398615 135034277 1 SiO2N3C20H31 AB2C3D20E31 -60.06 3.36 -8.93 -0.17 0
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398616 135034285 2 O7H30C31 A7B30C31 -397.63 5.44 -9.41 -0.73 0
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398617 135034296 1 NSiO3C25H47 ABC3D25E47 -242.6 3.08 -8.83 0.71 0
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398618 135034316 1 N2O5H18C22 A2B5C18D22 -122.64 5.45 -9.13 -1.2 0
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398619 135034327 1 NSO3H21C24 ABC3D21E24 -42.73 5.44 -8.48 -0.65 0
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398620 135034330 1 O2H20C21 A2B20C21 -43.58 2.22 -9.1 -0.84 0
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398621 135034339 1 NOC11H12 ABC11D12 25.8 4.07 0.0 0.0 0
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398622 135034346 1 NO11C47H49 AB11C47D49 -340.99 2.61 -9.24 -0.75 0
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398623 135034351 1 OC13H28 AB13C28 -108.0 1.43 -9.53 2.38 0
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398624 135034367 1 NOS2H11C16 ABC2D11E16 45.51 4.11 -8.9 -0.9 0
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398625 135034370 1 SO3N4H14C15 AB3C4D14E15 -15.29 5.49 -9.11 -0.84 0
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398626 135034392 1 LiNSi2C10H24 ABC2D10E24 -37.17 10.88 -5.0 1.18 0
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398627 135034413 1 SO9C21H26 AB9C21D26 -396.68 3.19 -8.67 -0.12 0
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398628 135034417 1 SO9C21H26 AB9C21D26 -398.3 3.14 -8.92 -0.22 0
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398629 135034427 1 ClSO7C18H21 ABC7D18E21 -309.06 2.49 -8.93 -0.57 0
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398630 135034435 1 O3C17H22 A3B17C22 -127.96 4.21 -9.0 0.07 0
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398631 135034446 2 N2S2O6C29H30 A2B2C6D29E30 -316.33 5.71 -9.28 -0.67 0
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398632 135034461 2 S2H9C12 A2B9C12 100.17 0.2 -8.39 -1.04 0
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398633 135034464 2 Si2O3C23H40 A2B3C23D40 -425.2 5.13 -8.48 0.19 0
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398634 135034465 1 SiO2C23H36 AB2C23D36 -117.26 3.15 -8.74 0.0 0
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398635 135034469 3 FH5C6 AB5C6 -83.96 3.51 -9.48 -0.6 0
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398636 135034474 1 NSSiO4C28H45 ABCD4E28F45 -227.73 6.65 -8.99 -0.63 0
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398637 135034476 1 NO3C15H19 AB3C15D19 -94.09 5.79 -9.67 -0.35 0
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398638 135034488 1 SN2O2H22C24 AB2C2D22E24 81.51 6.79 -7.94 -0.68 0
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398639 135034498 1 NOH21C30 ABC21D30 85.16 3.86 -9.08 -1.06 0
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398640 135034499 1 FNOH16C23 ABCD16E23 13.31 2.1 -9.2 -0.96 0
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398641 135034510 1 NO3C19H25 AB3C19D25 -115.87 3.55 -9.19 -0.29 0
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398642 135034518 1 NSiO3C33H43 ABC3D33E43 -149.17 2.81 -8.89 -0.02 0
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398643 135034520 2 NOC6H7 ABC6D7 -68.67 2.73 -9.44 -0.05 0
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398644 135034522 1 AlOCl2H15C21 ABC2D15E21 -71.81 2.78 -8.73 -0.71 0
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398645 135034535 1 SeO7C17H20 AB7C17D20 -287.04 6.62 -8.75 -0.46 0
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398646 135034536 1 SO9C21H26 AB9C21D26 -396.6 3.63 -8.53 0.02 0
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398647 135034547 1 N2O6C17H22 A2B6C17D22 -176.06 2.58 -9.09 -0.13 0
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398648 135034562 1 NOH17C21 ABC17D21 50.41 2.75 -8.06 -1.0 0
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398649 135034564 1 NSiO2C16H31 ABC2D16E31 -158.73 5.23 -8.53 0.4 0
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398650 135034566 3 S2H8C11 A2B8C11 134.66 4.42 -8.09 -1.04 0
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398652 135034576 1 FN3O4C24H24 AB3C4D24E24 -121.3 5.67 -9.14 -0.56 0
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398653 135034589 1 ClFN3O4H23C25 ABC3D4E23F25 -114.42 2.28 -8.56 -0.9 0
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398654 135034594 1 NO4C12H15 AB4C12D15 -79.88 4.69 -9.92 -0.69 0
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398655 135034597 1 BrN2O2C19H19 AB2C2D19E19 -38.88 3.3 -7.98 -0.25 0
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398656 135034602 1 N3O5H17C19 A3B5C17D19 -99.32 7.79 -8.89 -0.7 0
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398657 135034608 1 ClN3O4H16C19 AB3C4D16E19 -74.72 6.47 -9.03 -0.9 0
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398658 135034609 1 BrN3O4H16C19 AB3C4D16E19 -79.77 6.24 -8.65 -0.86 0
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398659 135034612 1 BrN3O4H14C18 AB3C4D14E18 -68.64 7.06 -8.89 -0.91 0
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398660 135034626 2 OC9H11 AB9C11 -47.1 2.46 -9.4 -0.2 0
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398662 135034628 1 NO8C29H35 AB8C29D35 -337.92 2.2 -9.4 -0.61 0
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398663 135034629 1 O4N7H27C32 A4B7C27D32 51.32 4.95 -9.53 -1.37 0
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398664 135034654 1 SN2O3C17H18 AB2C3D17E18 -64.18 8.24 -9.18 -0.55 0
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398665 135034662 1 ClN2O4C23H23 AB2C4D23E23 -129.62 6.55 -9.67 -0.58 0
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398666 135034669 1 BrON2H17C18 ABC2D17E18 14.45 4.76 -8.93 -0.33 0
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398667 135034670 1 BrON2H17C18 ABC2D17E18 13.78 4.14 -9.22 -0.34 0
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398668 135034675 1 ON2C19H20 AB2C19D20 10.47 3.93 -9.34 0.13 0
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398669 135034678 1 ON2H24C25 AB2C24D25 31.19 3.61 -8.55 0.13 0
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398670 135034679 1 ON2H22C24 AB2C22D24 32.08 3.2 -8.74 -0.03 0
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398672 135034747 1 NPO5H20C21 ABC5D20E21 -121.18 5.74 -9.38 -0.59 0
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398673 135034748 1 NPO5C18H22 ABC5D18E22 -163.53 2.09 -9.51 -0.57 0
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398674 135034752 1 OC20H22 AB20C22 -11.17 4.28 -8.88 -0.24 0
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398676 135034757 1 INC16H18 ABC16D18 40.27 1.82 -8.04 -0.84 0
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398677 135034763 1 FOSN2H11C12 ABCD2E11F12 -29.33 4.83 -9.09 -0.68 0
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398678 135034771 1 O11C23H26 A11B23C26 -421.96 4.85 -9.0 -0.9 0
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398679 135034785 1 N2O2C27H36 A2B2C27D36 -56.63 4.44 -8.83 -0.3 0
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398680 135034787 2 NO2H15C17 AB2C15D17 -30.06 3.13 -8.33 -1.24 0
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398681 135034796 1 OSC16H16 ABC16D16 4.09 1.78 -8.73 -0.18 0
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398682 135034800 1 ON6C11H22 AB6C11D22 53.53 3.32 -10.01 -0.41 0
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398683 135034802 1 SN2O4C19H30 AB2C4D19E30 -211.26 2.24 -8.46 -0.24 0
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398684 135034806 1 FNSiO2C32H38 ABCD2E32F38 -138.38 2.34 -8.87 -0.96 0
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398685 135034808 1 FSiN2O2C27H41 ABC2D2E27F41 -132.03 5.31 -8.71 -0.87 0
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398687 135034811 1 ON2H16C18 AB2C16D18 64.38 4.25 -9.86 -0.9 0
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398688 135034816 1 NSO3C23H23 ABC3D23E23 -34.4 8.37 -8.39 -0.5 0
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398689 135034817 2 NO5C19H28 AB5C19D28 -486.7 5.28 -8.75 -0.3 0
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398690 135034835 1 F2N3H5C9 A2B3C5D9 -9.63 3.39 -10.24 -1.38 0
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398691 135034842 1 N3O34C88H121 A3B34C88D121 -1495.21 4.11 -8.96 -0.49 0
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398692 135034843 1 BrO4C12H13 AB4C12D13 -114.63 1.77 -9.55 -0.47 1
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398693 135034845 1 IN3H15C16 AB3C15D16 121.97 6.47 0.0 0.0 0
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398694 135034846 1 TiO4H34C41 AB4C34D41 -20.58 3.67 -6.8 -1.13 0
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398696 135034858 1 ClSO2C17H17 ABC2D17E17 -59.09 3.06 -8.86 -0.29 0
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398697 135034889 1 BrN3H14C22 AB3C14D22 129.44 3.98 -8.8 -1.03 0
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398698 135034890 1 Cl2N2H14C23 A2B2C14D23 94.62 1.99 -8.63 -1.08 0
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398699 135034915 1 O7C13H18 A7B13C18 -309.15 2.45 -10.07 -0.72 0
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398700 135034920 1 ON2H24C25 AB2C24D25 43.06 3.22 -8.41 -0.4 0
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398702 135034926 1 FO2H21C23 AB2C21D23 -6.5 5.8 -9.24 -0.49 0