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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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436606 135206014 1 ClFO4N6H26C28 ABC4D6E26F28 -66.97 3.73 -8.46 -1.2 0
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436607 135206033 1 Cl2N4O6H24C27 A2B4C6D24E27 -152.65 5.08 -9.26 -1.36 0
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436608 135206037 1 ClN3O7C31H34 AB3C7D31E34 -210.25 4.17 -8.92 -0.98 0
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436609 135206048 1 ClF3O5N6H20C25 AB3C5D6E20F25 -233.03 8.11 -9.06 -1.98 0
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436611 135206080 1 ClF3N6O6H24C27 AB3C6D6E24F27 -267.85 6.89 -9.03 -1.91 0
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436612 135206095 1 ClN2O6C25H29 AB2C6D25E29 -183.0 7.86 -8.69 -0.98 0
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436613 135206101 1 ClSF3O4N5C16H17 ABC3D4E5F16G17 -219.97 3.0 -9.22 -1.72 0
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436614 135206119 1 NO5C44H83 AB5C44D83 -373.57 3.82 -9.33 0.35 1
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436615 135206127 1 NPC7H17 ABC7D17 -13.67 0.58 0.0 0.0 0
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436616 135206157 1 N3O4C29H43 A3B4C29D43 -177.46 7.28 -8.61 -0.37 0
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436617 135206163 1 ClFNOH13C14 ABCDE13F14 -48.34 3.27 -9.71 -0.7 0
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436618 135206170 1 F2O4N5C36H39 A2B4C5D36E39 -164.5 5.49 -8.77 -0.92 0
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436619 135206194 1 BrClFHINC5 ABCDEFG5 7.96 0.87 -10.01 -1.76 0
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436620 135206199 1 FN3O4C29H42 AB3C4D29E42 -220.62 7.39 -8.74 -0.49 0
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436621 135206218 1 N3O4C29H43 A3B4C29D43 -165.0 8.85 -8.24 -0.32 0
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436622 135206225 1 FN3O4C31H40 AB3C4D31E40 -174.19 9.0 -8.41 -0.45 0
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436623 135206229 2 N2O4C9H16 A2B4C9D16 -361.15 4.01 -9.6 -0.52 0
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436624 135206230 1 ClFO3N4C32H44 ABC3D4E32F44 -171.24 7.04 -9.01 -0.79 0
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436625 135206245 2 FNO2C13H17 ABC2D13E17 -250.78 6.0 -9.14 -0.53 0
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436626 135206282 1 F3N3O3C34H46 A3B3C3D34E46 -267.65 5.97 -8.61 -0.4 0
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436627 135206283 1 F2N2O5C34H42 A2B2C5D34E42 -281.95 7.01 -8.58 -0.4 0
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436628 135206318 1 N3O3C32H49 A3B3C32D49 -156.18 3.15 -8.7 -0.3 0
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436629 135206319 1 FN3O4C31H46 AB3C4D31E46 -231.9 2.23 -8.6 -0.35 0
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436630 135206324 1 N2O4C33H42 A2B4C33D42 -147.22 5.82 -8.81 -0.25 0
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436631 135206335 1 N3O4C29H43 A3B4C29D43 -170.51 7.26 -8.41 -0.23 0
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436632 135206336 1 ClFN3O4C32H39 ABC3D4E32F39 -194.04 4.77 -9.07 -0.66 0
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436633 135206343 1 N3O4C29H43 A3B4C29D43 -187.64 6.55 -9.14 -0.53 0
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436634 135206345 2 FNO2C14H19 ABC2D14E19 -261.12 8.38 -8.76 -0.44 0
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436635 135206409 1 N3O4C32H41 A3B4C32D41 -128.83 6.91 -8.61 -0.36 0
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436636 135206417 2 N2O2C12H17 A2B2C12D17 -138.1 8.11 -9.11 -0.92 0
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436637 135206421 1 O4N6C41H58 A4B6C41D58 -165.08 5.91 -8.54 -0.11 0
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436638 135206442 1 FN3O4C32H40 AB3C4D32E40 -180.56 7.26 -8.4 -0.65 0
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436639 135206445 1 F2N2O4C33H40 A2B2C4D33E40 -233.24 7.29 -8.67 -0.46 0
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436640 135206448 2 NF2O2C17H20 AB2C2D17E20 -357.5 3.99 -9.14 -0.84 0
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436641 135206479 1 FO3N4C28H41 AB3C4D28E41 -178.84 7.76 -8.65 -0.42 0
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436642 135206480 1 FN3O5C32H40 AB3C5D32E40 -213.94 9.51 -8.67 -0.54 0
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436643 135206526 2 O2N3C19H23 A2B3C19D23 -95.27 7.05 -8.57 -0.8 0
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436644 135206527 1 ClO3N5C43H60 AB3C5D43E60 -136.78 8.43 -8.34 -0.11 0
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436645 135206529 1 FN3O4C28H40 AB3C4D28E40 -215.32 7.61 -8.87 -0.52 0
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436646 135206530 2 O2N3C19H23 A2B3C19D23 -94.83 7.29 -8.53 -0.83 0
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436647 135206541 1 N2O5C26H34 A2B5C26D34 -190.85 6.26 -8.88 -0.39 0
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436648 135206569 1 ClFN3O3C37H47 ABC3D3E37F47 -171.12 5.75 -8.89 -0.5 0
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436649 135206581 1 FN3O4C33H42 AB3C4D33E42 -191.49 5.02 -8.83 -0.28 0
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436650 135206597 1 ClO3N4C47H61 AB3C4D47E61 -116.24 7.23 -8.81 -0.3 0
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436651 135206606 1 ClO4N7C44H60 AB4C7D44E60 -139.11 7.8 -8.69 -0.44 0
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436652 135206624 1 BrN2O4C19H27 AB2C4D19E27 -159.17 6.73 -9.07 -0.78 0
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436653 135206632 1 O3N7C37H45 A3B7C37D45 -42.96 6.33 -8.59 -1.27 0
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436654 135206637 1 ClN3O4C39H52 AB3C4D39E52 -164.15 9.42 -8.33 -0.14 0
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436655 135206639 1 ClO3N4C46H59 AB3C4D46E59 -106.12 7.31 -8.81 -0.43 0
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436656 135206665 1 N3O4C29H43 A3B4C29D43 -181.35 6.88 -8.58 -0.32 0
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436657 135206673 1 FN3O5C34H46 AB3C5D34E46 -231.8 7.18 -8.84 -0.37 0
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436658 135206674 2 O2N3C19H26 A2B3C19D26 -141.72 8.83 -8.62 -0.22 0
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436659 135206675 2 FN2O2C19H22 AB2C2D19E22 -196.9 5.36 -8.61 -0.64 0
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436660 135206817 1 FN3O4C34H40 AB3C4D34E40 -160.58 3.07 -9.14 -0.91 0
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436661 135206819 1 FN4O4C39H47 AB4C4D39E47 -158.32 6.93 -8.48 -0.32 0
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436662 135207091 1 NO5C13H17 AB5C13D17 -210.82 4.04 -9.87 -0.48 0
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436663 135207226 1 F2N2O4C33H40 A2B2C4D33E40 -239.44 3.92 -8.97 -0.41 0
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436664 135207227 1 O5N6C39H52 A5B6C39D52 -169.48 9.68 -8.65 -0.24 0
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436665 135207228 1 O5N6C39H52 A5B6C39D52 -169.49 9.77 -8.64 -0.24 0
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436666 135207229 1 N3O5C15H21 A3B5C15D21 -192.69 9.18 -8.63 -1.25 0
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436667 135207230 1 FN3O3C25H34 AB3C3D25E34 -172.06 6.77 -9.14 -0.59 0
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436668 135207231 1 O4N7C39H55 A4B7C39D55 -139.28 9.51 -8.62 -0.19 0
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436669 135207316 1 FNSO2C17H26 ABCD2E17F26 -104.9 5.32 -8.36 0.16 0
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436670 135207317 2 NO3C11H14 AB3C11D14 -213.58 5.19 -8.46 -0.69 0
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436671 135207318 1 ClN2O2C16H23 AB2C2D16E23 -100.12 1.6 -9.1 -0.28 0
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436672 135207329 1 O4N7C36H49 A4B7C36D49 -123.22 8.14 -8.59 -0.18 0
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436673 135207364 1 BrN2F3O4C19H34 AB2C3D4E19F34 -405.78 2.46 -9.68 -0.88 0
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436674 135207365 1 S2N3O6C15H21 A2B3C6D15E21 -219.85 5.77 -9.16 -1.48 0
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436675 135207366 1 S2N3O6C15H19 A2B3C6D15E19 -206.73 3.16 -9.23 -1.64 0
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436676 135207452 1 PN2O4C12H17 AB2C4D12E17 -214.52 4.02 -9.14 -0.1 0
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436677 135207453 1 BrN2C12H15 AB2C12D15 14.61 4.65 -9.16 -0.18 0
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436678 135207454 1 NSO4C19H23 ABC4D19E23 -120.26 6.64 -9.27 -0.67 0
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436679 135207455 1 N3O4C16H23 A3B4C16D23 -153.0 4.43 -9.33 -0.12 0
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436680 135207456 1 SN4O5C21H28 AB4C5D21E28 -97.35 6.51 -9.47 -0.45 0
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436681 135207457 2 ON2C4H8 AB2C4D8 -16.61 2.77 -9.3 -0.01 0
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436682 135207458 1 N4O4C9H16 A4B4C9D16 -103.48 3.55 -9.98 -0.04 0
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436683 135207502 1 SN9O9C38H63 AB9C9D38E63 -334.69 13.96 -8.76 -0.02 0
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436684 135207504 1 N4O5C23H30 A4B5C23D30 -158.62 3.76 -8.6 -0.33 0
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436685 135207505 1 N2O2C15H24 A2B2C15D24 -85.47 1.92 -8.61 0.05 0
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436686 135207506 1 O2N3C16H23 A2B3C16D23 -32.67 2.35 -8.76 0.17 0
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436687 135207507 1 ClIO2N5C15H19 ABC2D5E15F19 -20.61 2.74 -8.87 -1.13 0
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436688 135207587 2 ClNOC17H17 ABCD17E17 -16.33 15.4 -8.15 -1.73 0
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436689 135207588 1 N3O6C46H51 A3B6C46D51 -174.75 7.92 -7.74 -0.82 0
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436690 135207591 1 SN2O5C38H42 AB2C5D38E42 -120.0 19.03 -8.29 -2.05 0
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436691 135207592 1 Cl2N3O6C40H41 A2B3C6D40E41 -156.34 17.01 -8.26 -1.81 0
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436692 135207593 1 N3O6C46H55 A3B6C46D55 -187.08 9.29 -7.82 -1.25 1
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436693 135207595 1 Cl2N3O5C41H44 A2B3C5D41E44 -140.81 3.08 0.0 0.0 0
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436694 135207642 4 NOC7H8 ABC7D8 -86.05 5.77 -9.07 -0.78 0
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436695 135207643 1 SN3O3C26H27 AB3C3D26E27 -51.09 4.05 -8.97 -0.98 0
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436696 135207644 1 FN3O3C31H32 AB3C3D31E32 -90.52 6.35 -9.09 -1.07 0
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436697 135207688 1 NSO10C18H33 ABC10D18E33 -489.39 3.74 -10.3 -0.15 0
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436698 135207689 1 NSO7C13H25 ABC7D13E25 -310.49 6.0 -8.77 -0.31 0
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436699 135207731 1 N4O7C38H40 A4B7C38D40 -212.54 7.69 -9.11 -1.5 0
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436700 135207732 1 N5O8C43H49 A5B8C43D49 -262.04 9.3 -9.19 -1.58 0
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436701 135207733 2 ON2F3H7C10 AB2C3D7E10 -293.31 7.35 -9.38 -1.54 0
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436702 135207734 2 FOC11H11 ABC11D11 -117.35 2.06 -8.67 -0.67 0
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436703 135207735 1 ON6C17H22 AB6C17D22 41.29 4.14 -9.4 -1.47 0
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436704 135207784 1 NO2C11H23 AB2C11D23 -133.89 4.58 -9.54 1.43 0
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436705 135207788 1 SN2O22C57H78 AB2C22D57E78 -939.24 12.59 -8.27 0.03 0
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436706 135207872 1 O2N4H24C25 A2B4C24D25 50.39 3.28 -8.47 -0.6 0