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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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167606 74846898 1 ClO3N4C25H25 AB3C4D25E25 -51.49 4.97 -8.94 -1.21 0
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167607 74846899 1 ClO3N4H23C28 AB3C4D23E28 -9.18 8.35 -8.99 -1.57 0
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167608 74846900 1 Cl2O3N4H24C25 A2B3C4D24E25 -54.44 7.95 -8.96 -1.05 0
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167609 74846901 1 F3N4O4H19C23 A3B4C4D19E23 -216.06 7.87 -8.93 -1.17 0
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167610 74846902 1 F3O3N4H19C23 A3B3C4D19E23 -186.41 5.24 -8.91 -1.05 0
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167611 74846903 1 O3F4N4H22C29 A3B4C4D22E29 -210.01 8.31 -9.08 -1.1 0
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167612 74847084 1 ClO3N4H21C27 AB3C4D21E27 0.93 6.35 -8.77 -0.88 0
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167613 74847368 1 SN2O3C28H28 AB2C3D28E28 -53.12 7.84 -9.18 -0.7 0
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167614 74847649 2 ON2C9H11 AB2C9D11 -29.15 2.21 -8.76 -0.63 0
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167615 74847917 1 N5O5C28H39 A5B5C28D39 -141.53 4.92 -8.35 0.04 0
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167616 74848213 1 SCl2O3N6C27H36 AB2C3D6E27F36 -78.47 3.07 -8.89 -1.15 0
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167617 74848410 1 FO2N3H24C31 AB2C3D24E31 1.85 5.19 -8.38 -0.76 0
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167618 74848498 1 N3O4C24H27 A3B4C24D27 -139.1 2.19 -8.38 -0.21 1
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167619 74848499 1 N3O4H22C24 A3B4C22D24 -80.04 5.24 0.0 0.0 1
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167620 74848570 1 ClN3O3C16H21 AB3C3D16E21 -127.21 2.89 0.0 0.0 1
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167621 74848571 1 ClN3O3C20H21 AB3C3D20E21 -97.88 3.44 0.0 0.0 0
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167622 74848877 1 FSO2N4H25C27 ABC2D4E25F27 -6.99 8.98 -8.73 -0.78 0
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167623 74848906 1 FSO2N4H27C28 ABC2D4E27F28 -22.41 7.01 -8.74 -0.95 0
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167624 74848973 1 O4N6C25H34 A4B6C25D34 -108.63 4.14 -8.59 -0.89 0
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167625 74849228 1 NO2C16H17 AB2C16D17 -6.01 3.07 -8.8 -0.08 0
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167626 74849259 1 ClO2N3H10C15 AB2C3D10E15 4.56 2.19 -9.28 -1.1 0
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167627 74849260 1 BrFNO2H13C15 ABCD2E13F15 -41.56 2.07 -9.13 -0.61 0
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167628 74849694 1 N5O5C23H27 A5B5C23D27 -58.93 6.16 -8.86 -1.72 0
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167629 74849706 1 ClFON5H27C32 ABCD5E27F32 73.68 4.19 -9.06 -1.47 0
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167630 74850401 1 BrO3N5H20C21 AB3C5D20E21 9.88 2.7 -9.15 -1.48 0
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167631 74850498 1 ClO2F3N3C23H25 AB2C3D3E23F25 -213.43 4.39 -8.56 -1.11 0
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167632 74850499 4 NOH3C4 ABC3D4 -6.88 10.17 -8.75 -2.24 0
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167633 74850500 1 CoCl2N4O9C10H12 AB2C4D9E10F12 -65.03 3.02 0.0 0.0 0
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167634 74850573 1 S2O3N7C20H25 A2B3C7D20E25 -34.14 6.68 -8.94 -1.48 0
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167635 74850574 1 O2S2Cl3F3N4H8C16 A2B2C3D3E4F8G16 -118.35 1.48 -9.58 -2.2 0
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167636 74850575 1 SO2N4H24C25 AB2C4D24E25 6.63 7.9 -9.23 -0.8 0
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167637 74850668 1 S2N3O3C15H17 A2B3C3D15E17 -68.7 0.94 -8.89 -1.22 0
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167638 74851001 1 NCl2F2O3H11C17 AB2C2D3E11F17 -169.83 2.6 -9.2 -1.58 0
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167639 74851002 1 SCl2N2O6H20C21 AB2C2D6E20F21 -194.91 5.38 -9.33 -1.71 0
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167640 74851063 1 F2N2O6C19H20 A2B2C6D19E20 -248.3 4.5 -8.68 -0.86 0
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167641 74851064 2 FNO2C9H9 ABC2D9E9 -176.09 2.86 -8.88 -0.94 0
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167642 74851299 1 S2N3O4H19C20 A2B3C4D19E20 -23.59 6.41 -9.31 -0.99 0
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167643 74851683 1 NOC19H21 ABC19D21 -14.22 4.0 -8.67 -0.52 0
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167644 74851684 1 NO4H13C16 AB4C13D16 -31.73 9.65 -9.81 -1.5 0
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167645 74851685 1 NOSF2H11C14 ABCD2E11F14 -75.74 4.42 -9.05 -1.16 0
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167646 74851881 1 N2S2O4C23H30 A2B2C4D23E30 -110.37 3.52 -8.64 -0.94 0
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167647 74851953 1 O2N3C15H21 A2B3C15D21 -26.75 2.33 -8.1 -0.06 0
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167648 74851954 2 ON2C7H10 AB2C7D10 33.55 6.58 -8.67 -1.35 0
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167649 74852472 1 NSO3C19H23 ABC3D19E23 -71.78 4.32 -8.33 -0.41 0
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167650 74852519 1 SN2O3C19H22 AB2C3D19E22 -75.2 4.73 -8.72 -1.1 0
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167651 74852833 1 ClF2O2N3H18C21 AB2C2D3E18F21 -104.75 2.54 -9.38 -0.88 0
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167652 74852834 1 ClN3O3H20C22 AB3C3D20E22 -41.81 2.88 -9.43 -1.11 0
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167653 74852835 1 ClN3O3C25H28 AB3C3D25E28 -49.9 2.42 -8.36 -0.41 0
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167654 74853303 1 SO2N4C16H18 AB2C4D16E18 15.67 6.46 -8.2 -0.52 0
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167655 74853472 1 SN3O6C25H29 AB3C6D25E29 -180.02 5.24 -9.65 -1.28 0
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167656 74853532 1 BrSN2O2H17C21 ABC2D2E17F21 53.05 3.0 -8.68 -1.43 0
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167657 74853533 1 BrSN2O2H17C21 ABC2D2E17F21 52.73 2.03 -8.7 -1.4 0
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167658 74853534 1 OSN2H16C21 ABC2D16E21 106.99 2.2 -8.89 -1.29 0
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167659 74853851 1 O4N5C25H33 A4B5C25D33 -129.72 6.63 -9.28 -0.02 0
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167660 74854018 1 SN3O4C21H23 AB3C4D21E23 -61.21 4.03 -9.0 -2.04 0
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167661 74854351 2 ClN2O2C8H13 AB2C2D8E13 -186.33 6.85 -9.72 0.06 0
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167662 74854500 1 N3O5H25C27 A3B5C25D27 -90.62 14.12 -8.64 -1.14 0
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167663 74854501 1 O2S2N3C23H25 A2B2C3D23E25 -43.41 7.03 -8.76 -0.54 0
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167664 74854910 1 BrSO2N3C20H20 ABC2D3E20F20 -5.8 7.15 -8.91 -1.96 0
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167665 74855133 1 FSO2N4H19C26 ABC2D4E19F26 57.48 3.31 -8.95 -1.27 0
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167666 74855141 1 N4O4C21H30 A4B4C21D30 -155.12 7.28 -8.95 0.09 0
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167667 74855220 1 OCl2N3C14H17 AB2C3D14E17 -25.44 7.48 -8.88 -0.39 0
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167668 74855600 1 O3N5C23H35 A3B5C23D35 -121.93 5.01 -9.33 -0.28 0
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167669 74855633 1 SN4O7C22H22 AB4C7D22E22 -216.17 3.66 -9.24 -1.68 0
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167670 74856425 1 SO2N3C19H19 AB2C3D19E19 -9.72 4.93 -8.84 -0.85 1
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167671 74856700 1 ClSN4O5C18H24 ABC4D5E18F24 -165.78 4.8 0.0 0.0 0
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167672 74856934 1 OSN3C13H19 ABC3D13E19 -27.67 3.5 -9.04 0.06 0
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167673 74857192 1 O3N4C8H14 A3B4C8D14 -132.53 2.44 -10.26 -0.16 0
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167674 74857272 1 NO4C14H17 AB4C14D17 -143.05 4.15 -9.02 -0.68 0
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167675 74857273 1 NSO3C11H13 ABC3D11E13 -101.72 4.97 -9.21 -1.07 0
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167676 74857397 1 OSN5C14H17 ABC5D14E17 65.63 5.6 -8.7 -0.67 0
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167677 74857414 1 N3O3C13H17 A3B3C13D17 -68.63 3.69 -8.55 -0.43 0
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167678 74857460 1 ClN2O3H13C15 AB2C3D13E15 -52.36 3.82 -8.98 -0.91 0
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167679 74857461 1 ON2C18H26 AB2C18D26 -9.03 5.39 -9.3 -1.51 0
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167680 74857685 1 FO3N4C22H25 AB3C4D22E25 -122.62 0.99 -9.27 -0.53 0
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167681 74857686 1 FO3N4C21H21 AB3C4D21E21 -76.86 2.9 -9.28 -0.7 0
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167682 74857688 1 FO3N5H22C24 AB3C5D22E24 -62.53 3.97 -9.34 -0.85 0
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167683 74857689 1 FO3N4C22H23 AB3C4D22E23 -86.36 1.35 -9.24 -0.66 0
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167684 74857690 1 FN4O4C22H23 AB4C4D22E23 -134.96 3.87 -9.24 -0.87 0
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167685 74858132 1 ClF3O3N4H20C22 AB3C3D4E20F22 -208.82 3.85 -9.42 -0.94 0
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167686 74858351 1 ClFO3N4C21H22 ABC3D4E21F22 -129.52 3.76 -9.04 -0.53 0
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167687 74858429 1 Cl2O3N5H21C24 A2B3C5D21E24 -38.46 5.51 -9.52 -0.69 0
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167688 74858505 1 FO3N4C22H25 AB3C4D22E25 -122.28 2.98 -8.82 -0.3 0
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167689 74858805 1 SN3O3C25H31 AB3C3D25E31 -70.36 1.69 -8.35 -0.27 0
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167690 74858913 1 SN3O5C28H35 AB3C5D28E35 -159.52 5.47 -8.74 -0.39 0
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167691 74858914 1 SN3O4C27H33 AB3C4D27E33 -125.98 3.68 -8.83 -0.48 0
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167692 74859081 1 SN4O5C21H32 AB4C5D21E32 -174.75 3.42 -8.79 -1.45 0
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167693 74859082 1 SN3O4C19H27 AB3C4D19E27 -123.49 2.51 -9.15 -1.68 0
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167694 74859083 1 SN3O4C20H27 AB3C4D20E27 -95.19 3.67 -9.14 -1.5 0
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167695 74859084 1 SN3O4C17H23 AB3C4D17E23 -110.19 2.57 -9.3 -1.56 0
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167696 74859492 1 FNSO5H16C20 ABCD5E16F20 -178.08 7.03 -8.91 -1.32 0
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167697 74859575 1 SO2N3C24H35 AB2C3D24E35 -54.1 5.05 -8.87 -1.4 0
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167698 74859576 1 SN3O4C26H39 AB3C4D26E39 -163.6 1.88 -8.41 0.14 0
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167699 74859577 1 ClSN3O3C24H34 ABC3D3E24F34 -129.4 2.62 -8.71 -0.21 0
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167700 74859812 1 O2N3C14H23 A2B3C14D23 -48.43 2.69 -8.78 -0.46 0
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167701 74860218 1 BrFSO4H10C11 ABCD4E10F11 -173.95 3.44 -10.08 -1.66 0
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167702 74860219 1 BrSO4C11H11 ABC4D11E11 -128.34 4.08 -10.03 -1.52 0
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167703 74860220 1 BrClSO4H8C10 ABCD4E8F10 -126.3 4.3 -10.13 -1.69 0
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167704 74860221 1 SO4C13H16 AB4C13D16 -151.51 6.58 -9.96 -1.02 0
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167705 74860222 1 SO4C12H14 AB4C12D14 -144.32 4.09 -9.9 -1.02 1