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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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404574 135066857 1 N2O5C22H22 A2B5C22D22 -163.15 2.98 -8.69 -1.12 0
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404575 135066858 1 ClNSO2H12C16 ABCD2E12F16 -36.28 2.69 -8.95 -1.16 0
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404576 135066859 1 NO3H13C17 AB3C13D17 -15.07 4.2 -9.33 -0.8 0
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404577 135066861 1 NO3C14H19 AB3C14D19 -78.31 2.63 -9.08 -0.23 0
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404578 135066911 1 NO2H15C17 AB2C15D17 -30.52 1.19 -8.5 -0.35 0
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404580 135066916 2 NH8C9 AB8C9 76.64 2.81 -8.94 -0.47 0
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404581 135066953 1 O3N6C27H34 A3B6C27D34 -44.07 4.45 -8.82 -0.63 0
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404582 135066984 4 OC4H6 AB4C6 -203.33 2.94 -10.54 0.39 0
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404583 135067003 1 N2O3H12C13 A2B3C12D13 -35.23 3.02 -9.36 -1.3 0
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404584 135067011 1 NOCl2C17H21 ABC2D17E21 -68.45 4.09 -9.59 -0.02 0
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404585 135067024 1 NF3O3H8C13 AB3C3D8E13 -221.77 6.82 -9.08 -1.11 0
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404586 135067038 1 N4O4H10C15 A4B4C10D15 24.06 9.09 -10.06 -2.07 0
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404587 135067041 1 ClNSO4H12C17 ABCD4E12F17 -110.96 2.58 -9.0 -1.24 0
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404588 135067086 1 O3C20H28 A3B20C28 -112.34 5.04 -9.21 0.1 0
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404589 135067088 1 Br2F3O3H19C24 A2B3C3D19E24 -225.0 4.76 -9.91 -1.32 0
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404590 135067165 1 NOSiC25H31 ABCD25E31 -38.76 2.92 -9.18 -0.4 0
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404591 135067168 1 ClNOSiC24H28 ABCDE24F28 -38.86 1.4 -9.35 -0.53 0
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404592 135067173 1 NO2H15C16 AB2C15D16 -14.05 0.69 -8.15 0.22 0
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404593 135067222 1 NOCl3H14C22 ABC3D14E22 30.41 6.73 -9.03 -1.09 0
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404594 135067295 2 NH10C12 AB10C12 125.52 2.57 -7.95 -0.71 0
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404595 135067304 2 OS2H13C18 AB2C13D18 85.09 5.3 -8.76 -1.01 0
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404596 135067364 1 NO5H19C20 AB5C19D20 -116.58 3.56 -8.67 -0.21 0
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404597 135067418 1 PO3C19H25 AB3C19D25 -138.73 4.74 -8.67 -0.23 0
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404598 135067420 1 NO2F5H8C14 AB2C5D8E14 -287.08 3.31 -9.29 -1.16 0
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404599 135067427 1 NO3C20H21 AB3C20D21 -100.87 1.51 -9.12 -0.84 0
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404600 135067433 1 BrSN2O4H15C16 ABC2D4E15F16 -100.13 8.56 -9.22 -1.25 0
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404601 135067441 1 OC13H16 AB13C16 19.63 2.2 -8.93 0.15 0
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404602 135067537 1 N2O3C18H18 A2B3C18D18 17.4 8.3 -9.42 -1.02 0
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404603 135067553 1 NO3H13C16 AB3C13D16 -60.2 5.1 -8.99 -1.16 0
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404604 135067557 1 NOBr2H7C11 ABC2D7E11 27.96 3.8 -9.39 -1.04 0
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404605 135067562 1 ClO2C14H15 AB2C14D15 -65.83 1.93 -9.24 -0.89 0
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404606 135067564 1 NCl2O6H23C25 AB2C6D23E25 -193.22 5.38 -8.51 -1.17 0
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404607 135067572 1 NO3C22H23 AB3C22D23 -71.85 2.39 -8.95 -0.53 0
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404608 135067665 1 SiO3C28H38 AB3C28D38 -143.82 1.16 -8.99 0.11 0
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404609 135067686 1 NOCl3H14C24 ABC3D14E24 47.39 2.77 -9.6 -1.1 0
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404610 135067690 1 NF3H20C22 AB3C20D22 -103.54 2.8 -9.21 -0.9 0
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404611 135067696 1 O3C16H16 A3B16C16 -77.91 4.95 -8.66 -0.44 0
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404613 135067747 1 NSO2H21C25 ABC2D21E25 17.91 6.44 -8.41 -0.75 0
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404614 135067838 1 ClNO2H12C18 ABC2D12E18 1.79 4.04 -9.13 -1.06 0
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404615 135067839 1 NO4H13C17 AB4C13D17 -40.12 3.39 -8.6 -0.92 0
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404616 135067861 1 NSiO4C21H37 ABC4D21E37 -221.26 6.85 -9.02 -0.23 0
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404617 135067898 1 NO5C28H31 AB5C28D31 -89.89 9.53 -9.12 -1.27 0
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404618 135067901 1 NSO3C15H17 ABC3D15E17 -75.55 7.58 -9.66 -0.1 0
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404619 135067953 1 BrFOH16C20 ABCD16E20 -11.22 3.02 -8.99 -0.79 0
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404620 135067954 1 F3O3H17C22 A3B3C17D22 -205.19 5.9 -8.97 -1.03 0
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404621 135067955 1 ClN2O2C23H23 AB2C2D23E23 -32.78 2.33 -9.34 -1.15 0
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404622 135067956 1 BrN2O2C24H25 AB2C2D24E25 58.97 3.77 -8.57 -0.21 0
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404623 135067963 1 O3N6C22H32 A3B6C22D32 -81.42 6.97 -8.94 -0.68 0
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404624 135067972 2 NOC15H19 ABC15D19 -62.11 2.24 -9.13 -0.74 0
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404625 135067975 1 N2C21H22 A2B21C22 72.99 3.38 -8.05 0.18 0
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404626 135067977 1 FN2H19C20 AB2C19D20 35.26 4.69 -8.44 -0.17 0
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404627 135067990 1 NO4C14H17 AB4C14D17 -126.37 1.23 -8.89 0.01 0
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404628 135067996 1 N2O5H22C25 A2B5C22D25 -35.34 9.61 -8.85 -0.87 0
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404629 135068004 1 BrNO2Cl3H13C17 ABC2D3E13F17 -25.43 1.06 -9.91 -0.57 0
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404630 135068015 1 SiO2C23H30 AB2C23D30 -102.77 2.97 -8.62 -0.44 0
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404631 135068049 1 SiO3C17H30 AB3C17D30 -179.6 2.51 -9.14 0.13 1
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404632 135068064 1 FeOPN7C114H119 ABCD7E114F119 476.87 8.98 0.0 0.0 0
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404633 135068102 1 NSO2C24H31 ABC2D24E31 -35.18 5.43 -8.82 -0.48 0
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404634 135068118 1 SiO4C19H32 AB4C19D32 -226.92 2.09 -8.95 0.44 0
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404636 135068178 1 SiO3C25H38 AB3C25D38 -183.93 1.85 -8.71 -0.29 0
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404637 135068184 1 FON2H23C26 ABC2D23E26 -11.13 1.31 -8.68 -0.79 0
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404639 135068258 1 NO2C15H25 AB2C15D25 -111.24 2.37 -8.16 0.83 0
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404640 135068358 1 NSO4H15C18 ABC4D15E18 -108.37 3.13 -8.88 -1.07 0
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404641 135068383 1 NO2C18H23 AB2C18D23 -34.59 5.64 -9.24 -0.14 0
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404642 135068394 1 FeNH19C25 ABC19D25 276.41 1.65 -8.04 -1.22 0
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404643 135068399 3 FOC5H5 ABC5D5 -248.49 4.21 -9.51 -0.78 0
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404644 135068402 1 ON2C23H24 AB2C23D24 40.31 1.25 -8.56 -0.49 0
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404645 135068403 1 FeN2O2H18C25 AB2C2D18E25 300.27 11.63 -6.89 -2.57 0
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404646 135068405 1 FeNOH17C23 ABCD17E23 277.89 3.91 -6.91 -1.14 0
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404647 135068408 1 SiO5C23H38 AB5C23D38 -257.81 2.93 -8.66 0.32 0
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404648 135068443 1 NF3H14C17 AB3C14D17 -67.18 4.31 -8.39 -0.78 0
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404649 135068480 1 NSO2C16H23 ABC2D16E23 -80.55 4.4 -8.43 0.08 0
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404650 135068536 2 O2C9H14 A2B9C14 -170.67 3.89 -9.21 -1.0 0
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404652 135068546 1 N2O11C49H50 A2B11C49D50 -324.81 6.21 -9.37 -0.97 0
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404653 135068662 1 NO4H23C24 AB4C23D24 -105.25 2.87 -9.56 -1.14 0