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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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299626 117688200 1 F4O4N5C28H31 A4B4C5D28E31 -319.97 8.43 -9.57 -1.0 0
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299627 117688203 1 FO3N5C26H30 AB3C5D26E30 -105.24 10.09 -9.11 -1.28 0
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299628 117688204 1 O4N5C27H33 A4B5C27D33 -118.45 9.47 -9.04 -0.98 0
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299629 117688207 1 F3O4N5C27H30 A3B4C5D27E30 -255.23 6.02 -9.54 -0.89 0
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299630 117688210 2 ON2C4H7 AB2C4D7 -42.61 5.36 -10.0 -0.14 0
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299631 117688215 1 ClF2N3O4H14C19 AB2C3D4E14F19 -174.19 8.44 -9.18 -1.15 1
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299632 117688229 1 SN4O4C23H27 AB4C4D23E27 -56.35 2.59 0.0 0.0 0
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299633 117688230 1 NO3C7H13 AB3C7D13 -156.6 4.99 -10.19 0.84 0
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299634 117688232 1 ON3F4H9C13 AB3C4D9E13 -155.77 8.48 -9.71 -1.29 0
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299635 117688236 1 N5O8C29H39 A5B8C29D39 -283.82 5.65 -8.43 -0.42 0
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299636 117688237 1 N5O6C28H35 A5B6C28D35 -160.95 6.88 -8.82 -1.07 0
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299637 117688242 1 N5F6O8H31C32 A5B6C8D31E32 -544.84 4.27 -8.85 -1.8 0
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299638 117688243 1 N5O8C31H41 A5B8C31D41 -278.63 4.48 -8.8 -0.35 0
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299639 117688244 1 SN5O9C29H33 AB5C9D29E33 -258.08 4.51 -8.64 -0.84 0
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299640 117688247 1 SO4C29H32 AB4C29D32 -107.91 5.93 -8.71 -0.1 0
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299641 117688248 1 FO4N5C29H36 AB4C5D29E36 -174.56 7.64 -9.29 -1.11 0
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299642 117688251 1 F2O4N5C29H35 A2B4C5D29E35 -226.53 7.19 -9.31 -1.16 0
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299643 117688253 1 FN5O5C26H30 AB5C5D26E30 -174.21 5.86 -8.94 -1.06 0
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299644 117688257 1 N5O6C25H29 A5B6C25D29 -178.52 11.52 -9.25 -1.37 0
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299645 117688263 1 F2O4N5C26H29 A2B4C5D26E29 -198.45 5.02 -9.35 -0.97 0
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299646 117688269 1 F2O4N5C28H33 A2B4C5D28E33 -213.22 9.21 -9.31 -1.04 0
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299647 117688272 1 FN5O5C26H30 AB5C5D26E30 -157.6 7.12 -9.33 -1.2 0
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299648 117688276 1 SN5O9C31H45 AB5C9D31E45 -347.77 7.47 -8.6 -0.42 0
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299649 117688279 1 O2N4C7H12 A2B4C7D12 -35.14 5.51 -10.11 -0.22 1
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299650 117688281 1 O2N4C7H13 A2B4C7D13 -33.8 5.6 0.0 0.0 0
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299651 117688296 1 FO4N5C29H36 AB4C5D29E36 -175.45 8.05 -9.32 -1.12 0
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299652 117688301 1 F3O3N5C26H28 A3B3C5D26E28 -207.45 9.32 -9.18 -1.33 0
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299653 117688303 1 F2O3N5C26H29 A2B3C5D26E29 -144.15 10.77 -9.15 -0.99 0
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299654 117688304 1 F2O3N5C26H29 A2B3C5D26E29 -153.08 4.68 -8.85 -0.88 0
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299655 117688306 1 FN5O5C29H36 AB5C5D29E36 -186.3 5.52 -9.16 -1.05 0
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299656 117688309 1 O4C19H36 A4B19C36 -193.2 1.77 -10.36 -0.44 0
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299657 117688310 1 SN2F3O4C31H31 AB2C3D4E31F31 -238.21 8.45 -8.78 -1.5 0
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299658 117688347 1 FN2O2C7H13 AB2C2D7E13 -157.44 4.89 -9.76 0.58 0
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299659 117688349 1 FN5O6C27H32 AB5C6D27E32 -210.93 5.87 -9.18 -0.76 0
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299660 117688353 1 F2O4N5C29H37 A2B4C5D29E37 -217.2 8.58 -9.31 -0.96 0
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299661 117688356 1 FNO3C7H12 ABC3D7E12 -203.17 3.41 -10.47 0.53 0
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299662 117688357 1 N5O5C28H37 A5B5C28D37 -160.89 4.5 -8.06 0.2 0
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299663 117688358 1 FN4C5H9 AB4C5D9 12.75 1.99 -9.78 -0.21 0
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299664 117688359 1 NOF2C9H13 ABC2D9E13 -146.64 3.73 -9.87 0.07 0
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299665 117688416 1 F2O4N5C29H35 A2B4C5D29E35 -226.48 7.36 -9.29 -1.17 0
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299666 117688419 1 F2O3N5C27H31 A2B3C5D27E31 -156.51 6.3 -9.23 -1.02 0
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299667 117688420 1 N5O6C29H37 A5B6C29D37 -168.42 5.87 -9.09 -1.12 0
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299668 117688439 1 FO2N4C7H11 AB2C4D7E11 -80.94 4.73 -10.26 -0.36 0
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299669 117688443 1 FN5O6C25H28 AB5C6D25E28 -221.07 13.18 -9.22 -1.08 0
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299670 117688451 1 FN5O5C26H30 AB5C5D26E30 -165.61 4.83 -9.04 -1.15 0
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299671 117688456 1 F4O4N5C28H31 A4B4C5D28E31 -323.69 7.5 -9.46 -1.04 0
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299672 117688471 1 N3H25C30 A3B25C30 145.47 1.71 -8.13 -0.04 0
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299673 117688473 2 N2C5H7 A2B5C7 53.48 4.25 -9.6 -0.85 0
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299674 117688477 1 OC12H18 AB12C18 -36.39 2.69 -9.53 1.28 0
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299675 117688491 1 ON4C6H8 AB4C6D8 17.13 3.46 -9.36 -0.61 0
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299676 117688495 1 ON7H21C22 AB7C21D22 105.08 1.48 -8.44 -0.94 0
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299677 117688507 1 O2F5N6C19H19 A2B5C6D19E19 -252.21 3.18 -9.14 -0.95 0
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299678 117688512 1 SO7N9C31H33 AB7C9D31E33 23.3 9.37 -8.86 -2.18 0
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299679 117688514 1 SO4N5C22H27 AB4C5D22E27 -37.33 7.63 -8.61 -1.91 0
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299680 117688519 1 Cl2N7H19C20 A2B7C19D20 122.75 2.83 -8.84 -0.55 0
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299681 117688521 1 N5C23H31 A5B23C31 86.61 2.54 -8.38 -0.37 0
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299682 117688529 1 Cl3N5H12C15 A3B5C12D15 104.66 3.51 -8.93 -1.03 0
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299683 117688532 1 O2N5C15H15 A2B5C15D15 43.36 2.64 -8.91 -0.76 0
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299684 117688535 1 N7C19H25 A7B19C25 133.12 4.66 -7.79 -0.27 0
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299685 117688544 2 N3C7H8 A3B7C8 107.35 1.2 -8.83 -0.69 0
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299686 117688581 1 OF2N5C16H17 AB2C5D16E17 -46.41 3.61 -9.17 -0.86 0
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299687 117688605 1 O2F3N6C20H23 A2B3C6D20E23 -164.05 1.66 -8.84 -0.8 0
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299688 117688607 1 NOC8H13 ABC8D13 -1.52 3.45 -9.09 2.01 0
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299689 117688618 1 F2O2N6C17H20 A2B2C6D17E20 -84.06 3.9 -8.87 -0.75 0
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299690 117688633 1 OF5N7C21H24 AB5C7D21E24 -218.06 3.14 -8.95 -0.85 0
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299691 117688634 1 F2O2N5C18H21 A2B2C5D18E21 -119.36 2.93 -9.15 -0.87 0
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299692 117688636 1 O2N7C23H25 A2B7C23D25 38.33 1.02 -8.78 -0.67 0
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299693 117688644 1 ON6C22H24 AB6C22D24 89.51 1.51 -8.43 -0.56 0
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299694 117688655 1 OF4N6C20H22 AB4C6D20E22 -182.93 3.42 -8.82 -0.76 0
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299695 117688660 1 O2F5N7C21H24 A2B5C7D21E24 -262.42 2.09 -8.94 -0.91 0
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299696 117688661 1 OF4N6C20H22 AB4C6D20E22 -183.03 0.81 -8.77 -0.75 0
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299697 117688671 1 OF3N5C16H16 AB3C5D16E16 -94.05 1.65 -9.11 -1.02 0
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299698 117688687 1 F2O2N5C16H19 A2B2C5D16E19 -112.1 3.87 -9.14 -0.83 0
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299699 117688693 1 O2F3N6C19H23 A2B3C6D19E23 -173.76 2.07 -8.82 -0.82 0
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299700 117688694 1 OF3N6C21H25 AB3C6D21E25 -105.52 3.93 -9.06 -0.87 0