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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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143534 53223572 1 ClFNO2H7C12 ABCD2E7F12 -80.85 3.84 -10.27 -1.51 0
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143535 53223585 1 FNCl2O2H6C12 ABC2D2E6F12 -85.27 2.67 -10.25 -1.66 0
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143536 53223854 1 NO2H11C16 AB2C11D16 -5.91 5.46 -8.99 -1.12 0
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143537 53223994 1 NCl2O3H7C12 AB2C3D7E12 -95.9 5.29 -9.82 -1.34 0
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143538 53223995 1 NCl2O3H7C12 AB2C3D7E12 -97.88 1.29 -9.86 -1.29 0
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143539 53223996 1 NCl2O3H9C13 AB2C3D9E13 -88.87 4.98 -9.65 -1.32 0
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143540 53223997 1 NO2Cl3H6C12 AB2C3D6E12 -48.93 3.69 -9.95 -1.64 0
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143541 53223998 1 NO2Cl3H6C12 AB2C3D6E12 -47.58 2.1 -10.15 -1.38 0
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143542 53223999 1 NCl2O2H7C12 AB2C2D7E12 -40.53 3.16 -9.81 -1.33 0
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143543 53224121 1 ClFNO4H9C14 ABCD4E9F14 -159.88 4.9 -10.35 -1.73 0
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143544 53224866 1 O2F3H11C15 A2B3C11D15 -205.81 5.83 -9.79 -1.27 0
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143545 53224881 1 NO4H11C14 AB4C11D14 -46.05 8.14 -9.86 -1.88 0
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143546 53224882 1 NO4H11C14 AB4C11D14 -48.22 5.25 -9.81 -1.86 0
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143547 53225600 1 FO3H11C14 AB3C11D14 -136.02 4.52 -9.69 -0.91 0
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143548 53225739 1 FSO3H7C12 ABC3D7E12 -103.38 2.26 -9.64 -1.47 0
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143549 53225740 1 FSO3H7C12 ABC3D7E12 -102.89 4.69 -9.65 -1.44 0
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143550 53226117 1 ClFNO2H7C14 ABCD2E7F14 -60.29 5.56 -10.07 -1.22 0
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143551 53226596 1 F2O3H10C14 A2B3C10D14 -171.58 3.36 -9.03 -0.89 0
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143552 53226703 1 ClO2H13C15 AB2C13D15 -65.92 5.9 -9.68 -0.72 0
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143553 53226794 2 OH7C9 AB7C9 -34.06 1.81 -8.93 -0.63 0
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143554 53226795 2 OH7C9 AB7C9 -28.85 5.95 -9.15 -0.76 0
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143555 53226796 2 OH7C9 AB7C9 -29.31 4.97 -9.1 -0.66 0
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143556 53227004 1 FO2C17H17 AB2C17D17 -106.0 5.54 -9.41 -0.86 0
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143557 53227403 2 FO2H4C7 AB2C4D7 -209.02 4.87 -10.55 -1.47 0
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143558 53227604 1 O2F3H11C15 A2B3C11D15 -213.1 3.99 -9.81 -0.79 0
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143559 53227605 1 O2F3H11C15 A2B3C11D15 -207.35 3.3 -10.08 -0.97 0
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143560 53227669 2 ClOH5C7 ABC5D7 -63.05 5.22 -9.82 -0.93 0
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143561 53227687 1 O2Cl3H7C13 A2B3C7D13 -62.44 3.71 -9.84 -1.3 0
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143562 53228050 1 ClNO4H10C14 ABC4D10E14 -130.43 6.73 -9.85 -1.21 0
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143563 53228051 1 ClNO4H10C14 ABC4D10E14 -136.65 3.71 -9.86 -1.43 0
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143564 53228146 1 ClFO3H12C15 ABC3D12E15 -143.77 3.64 -9.07 -0.79 0
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143565 53228156 1 ClO4H15C16 AB4C15D16 -133.35 7.82 -9.13 -0.75 0
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143566 53228167 1 ClF3O3H12C16 AB3C3D12E16 -254.78 8.15 -9.44 -1.21 0
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143567 53228168 1 ClO4H11C15 AB4C11D15 -141.17 7.14 -9.93 -1.13 0
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143568 53228169 1 ClO4H11C15 AB4C11D15 -135.41 3.69 -10.15 -1.33 0
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143569 53228170 1 ClO4H11C15 AB4C11D15 -136.18 1.8 -10.12 -1.26 0
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143570 53228171 1 ClO4H11C15 AB4C11D15 -136.42 6.65 -9.87 -1.29 0
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143571 53228280 1 NO2F4H9C14 AB2C4D9E14 -245.27 6.88 -9.22 -1.15 0
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143572 53228305 1 NF4O4H7C14 AB4C4D7E14 -243.72 2.39 -10.74 -2.16 0
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143573 53228585 1 NF3O3H16C19 AB3C3D16E19 -241.9 7.26 -9.65 -1.34 0
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143574 53228586 1 F3O3H13C16 A3B3C13D16 -253.72 4.84 -9.44 -0.62 0
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143575 53228918 1 ClNO4C18H18 ABC4D18E18 -161.74 9.48 -9.11 -1.1 0
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143576 53229208 1 N2O3H12C13 A2B3C12D13 -66.97 5.07 -8.71 -0.93 0
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143577 53229460 1 NO3C13H13 AB3C13D13 -72.79 9.23 -8.85 -0.26 0
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143578 53229625 1 FN2O3H13C15 AB2C3D13E15 -120.84 2.27 -10.11 -1.4 0
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143579 53229681 1 SN2O4C14H14 AB2C4D14E14 -98.05 8.06 -9.68 -1.54 0
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143580 53229699 1 SN2O3C15H16 AB2C3D15E16 -68.17 3.14 -9.36 -1.12 0
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143581 53229937 1 NC11H11 AB11C11 58.64 3.47 -9.44 0.1 0
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143582 53230300 1 BrN3O4H28C31 AB3C4D28E31 -66.06 4.26 -8.85 -0.6 0
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143583 53230487 1 NSSiO3C19H29 ABCD3E19F29 -131.32 8.5 -8.45 -0.75 0