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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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166592 74713643 1 O4N5C19H22 A4B5C19D22 -101.94 9.27 0.0 0.0 1
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166593 74713644 1 O3N5C20H26 A3B5C20D26 -75.35 5.91 0.0 0.0 2
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166594 74713726 1 BrN3O3C19H22 AB3C3D19E22 -11.39 20.76 -6.33 -0.83 -1
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166595 74714100 1 OS2N4H9C10 AB2C4D9E10 96.18 4.32 0.0 0.0 -1
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166596 74714101 1 SO3N4C15H17 AB3C4D15E17 18.13 3.36 0.0 0.0 1
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166597 74714149 1 NO2C22H34 AB2C22D34 -92.17 1.66 0.0 0.0 0
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166598 74714222 1 ON6C29H30 AB6C29D30 86.99 6.29 -8.74 -0.61 1
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166599 74714314 1 FO2N3C18H27 AB2C3D18E27 -70.21 3.42 0.0 0.0 0
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166600 74714315 1 O4N5C20H27 A4B5C20D27 -136.43 4.56 -8.84 -0.13 0
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166601 74714316 1 SO3N5C20H27 AB3C5D20E27 -67.8 5.09 -8.99 -0.22 -1
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166602 74714605 1 N2S2O6H23C24 A2B2C6D23E24 -146.85 6.87 0.0 0.0 -1
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166603 74714606 1 N2S3O6C20H23 A2B3C6D20E23 -124.95 6.43 0.0 0.0 -1
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166604 74714607 1 S2N3O7C20H22 A2B3C7D20E22 -222.27 5.26 0.0 0.0 1
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166605 74715066 1 ON2C21H25 AB2C21D25 38.88 4.23 0.0 0.0 0
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166606 74715113 1 N6O7C17H22 A6B7C17D22 -159.27 9.97 -9.71 -1.24 1
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166607 74716070 1 N2O3C23H31 A2B3C23D31 -87.34 3.07 0.0 0.0 1
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166608 74716229 1 SN4O5C23H29 AB4C5D23E29 -46.12 5.57 0.0 0.0 1
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166609 74716721 1 S2N3O6C21H32 A2B3C6D21E32 -210.26 8.34 0.0 0.0 0
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166610 74716829 1 N2O5C25H30 A2B5C25D30 -150.3 9.97 -8.47 -0.45 -1
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166611 74716842 1 O2N4H15C25 A2B4C15D25 94.17 6.86 0.0 0.0 -1
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166612 74716946 1 FSN2O5H22C28 ABC2D5E22F28 -96.87 4.51 0.0 0.0 -1
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166613 74717099 1 N2S2O6H15C20 A2B2C6D15E20 -105.26 5.13 0.0 0.0 1
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166614 74717361 1 ClN2O6C25H28 AB2C6D25E28 -155.9 8.2 0.0 0.0 -1
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166615 74717362 1 N3O6C19H22 A3B6C19D22 -80.91 7.39 0.0 0.0 1
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166616 74717636 1 O2N5C18H22 A2B5C18D22 55.94 1.13 0.0 0.0 1
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166617 74717797 1 ClN3O3C19H27 AB3C3D19E27 -94.45 4.81 0.0 0.0 1
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166618 74718016 1 N3O3C20H26 A3B3C20D26 -48.9 2.4 0.0 0.0 1
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166619 74718017 1 O2N3C22H24 A2B3C22D24 40.99 3.42 0.0 0.0 1
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166620 74718018 1 S2N3O5C21H28 A2B3C5D21E28 -116.49 19.36 0.0 0.0 1
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166621 74718028 1 FO2N6C20H22 AB2C6D20E22 -50.82 2.73 0.0 0.0 1
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166622 74718029 1 ClO2N6C20H22 AB2C6D20E22 -13.37 2.87 0.0 0.0 1
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166623 74718030 1 O4N6C23H27 A4B6C23D27 -99.02 4.56 0.0 0.0 1
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166624 74718073 1 O4N6C21H35 A4B6C21D35 -149.8 1.45 0.0 0.0 1
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166626 74718332 1 FN2O5H16C20 AB2C5D16E20 -117.25 11.76 0.0 0.0 1
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166627 74718333 1 N3O3C15H26 A3B3C15D26 -147.27 10.08 0.0 0.0 1
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166628 74718334 1 NO7C24H28 AB7C24D28 -183.36 12.27 0.0 0.0 1
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166629 74718335 1 O2S2N4C24H25 A2B2C4D24E25 52.32 8.39 0.0 0.0 -1
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166630 74718336 1 N2Cl3O4H10C21 A2B3C4D10E21 -5.66 18.25 0.0 0.0 1
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166631 74718339 1 OSN3C29H32 ABC3D29E32 87.19 15.39 0.0 0.0 -1
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166632 74718448 1 O3N5C17H22 A3B5C17D22 -34.83 4.29 0.0 0.0 1
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166633 74718546 1 SO2N5C26H30 AB2C5D26E30 61.75 19.66 0.0 0.0 -1
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166634 74718547 1 SN2O5H23C27 AB2C5D23E27 -80.33 7.68 0.0 0.0 1
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166635 74718548 1 SO4N5C17H24 AB4C5D17E24 -34.07 5.9 0.0 0.0 0
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166636 74718903 1 BrNO4C24H28 ABC4D24E28 -151.41 3.02 -9.44 -0.78 0
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166637 74719506 1 SF3N6C18H21 AB3C6D18E21 -64.93 2.65 -8.51 -0.28 -1
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166638 74719512 1 NF3O4H9C12 AB3C4D9E12 -270.09 5.85 0.0 0.0 -1
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166639 74719628 1 N2S2O6C17H17 A2B2C6D17E17 -155.18 3.07 0.0 0.0 0
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166640 74719691 1 NCl2O3H11C17 AB2C3D11E17 -41.9 1.62 -9.57 -1.29 1
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166641 74719848 1 FN4O5H24C26 AB4C5D24E26 -169.46 1.85 0.0 0.0 -1
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166642 74720709 1 ClNS2O4C25H27 ABC2D4E25F27 -48.47 2.87 0.0 0.0 1
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166643 74720899 1 FO3N4C25H28 AB3C4D25E28 -84.34 5.62 0.0 0.0 1
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166644 74720911 1 N4O4C26H29 A4B4C26D29 -69.18 5.94 0.0 0.0 1
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166646 74721283 1 FN3O5C26H33 AB3C5D26E33 -217.0 5.19 0.0 0.0 1
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166647 74721349 1 SN3O7C21H28 AB3C7D21E28 -128.87 17.06 0.0 0.0 1
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166648 74721688 1 O3N8C20H23 A3B8C20D23 122.96 8.7 0.0 0.0 0
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166649 74721689 1 NO4C29H31 AB4C29D31 -116.34 3.43 -8.72 -0.78 1
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166650 74721913 1 N2O5C27H33 A2B5C27D33 -137.45 7.11 0.0 0.0 1
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166651 74722377 1 SO2N3C15H24 AB2C3D15E24 -66.12 3.18 0.0 0.0 1
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166652 74722378 1 SO2N3C15H22 AB2C3D15E22 -32.51 2.41 0.0 0.0 -1
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166653 74722460 1 SN5O5H20C24 AB5C5D20E24 -12.66 16.78 0.0 0.0 -1
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166654 74723086 1 NO4C31H38 AB4C31D38 -152.8 4.7 0.0 0.0 -1
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166655 74723087 1 ClSN2O5H20C27 ABC2D5E20F27 -58.73 4.47 0.0 0.0 1
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166656 74723088 1 N2O7C25H31 A2B7C25D31 -196.65 5.33 0.0 0.0 -1
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166657 74723089 1 SN2O4H15C23 AB2C4D15E23 3.03 3.42 0.0 0.0 -1
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166658 74723090 1 NO7C25H28 AB7C25D28 -191.61 9.32 0.0 0.0 -1
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166659 74723091 1 N3O7C24H28 A3B7C24D28 -202.01 7.19 0.0 0.0 -1
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166660 74723092 1 SN2O6H23C25 AB2C6D23E25 -102.58 13.29 0.0 0.0 -1
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166661 74723093 1 SN2F3O3H12C24 AB2C3D3E12F24 -88.11 12.16 0.0 0.0 1
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166662 74723094 1 ClN2O5C25H26 AB2C5D25E26 -100.93 6.69 0.0 0.0 -1
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166663 74723095 1 Cl2N2O4H23C24 A2B2C4D23E24 -83.43 6.94 0.0 0.0 -1
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166664 74723096 1 NO11C20H22 AB11C20D22 -416.17 2.78 0.0 0.0 1
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166665 74723147 1 O5N6H19C20 A5B6C19D20 -63.36 7.86 0.0 0.0 0
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166666 74723148 1 ClSN2O4H19C21 ABC2D4E19F21 -86.66 3.87 -9.17 -1.56 -1
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166667 74723149 1 FSN2O5H18C19 ABC2D5E18F19 -173.93 6.87 0.0 0.0 -1
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166668 74723150 1 SN3O5C17H22 AB3C5D17E22 -113.4 3.77 0.0 0.0 1
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166669 74723151 1 F3N3O4C21H21 A3B3C4D21E21 -255.12 3.46 0.0 0.0 1
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166670 74723209 1 O3N4C24H31 A3B4C24D31 -73.08 2.49 0.0 0.0 -1
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166671 74723210 1 N2O4H15C21 A2B4C15D21 16.22 53.51 0.0 0.0 1
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166672 74723211 1 O2N5C10H20 A2B5C10D20 -66.04 3.73 0.0 0.0 0
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166673 74723212 1 ClFSN2O3H20C22 ABCD2E3F20G22 -115.91 2.33 -8.84 -1.6 1
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166674 74723213 1 O3N4H25C28 A3B4C25D28 29.83 5.92 0.0 0.0 0
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166675 74723214 1 ClSN3O6C22H22 ABC3D6E22F22 -140.29 5.97 -8.8 -1.81 0
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166676 74723215 1 SN3O3C27H33 AB3C3D27E33 -69.55 5.98 -9.19 -1.51 1
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166677 74723216 1 N2O4C26H35 A2B4C26D35 -133.75 3.92 0.0 0.0 3
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166678 74723217 1 O3N6C26H37 A3B6C26D37 -52.52 3.51 0.0 0.0 1
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166679 74723218 1 ClO4N5C20H27 AB4C5D20E27 -147.15 9.5 0.0 0.0 1
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166680 74723219 1 O2N3F4H18C24 A2B3C4D18E24 -183.96 3.76 0.0 0.0 1
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166681 74723220 1 N2O4C19H25 A2B4C19D25 -98.41 2.2 0.0 0.0 1
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166682 74723221 1 Cl2N2O3C14H17 A2B2C3D14E17 -102.67 11.16 0.0 0.0 1
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166683 74723222 1 FN2O2C17H20 AB2C2D17E20 -68.61 4.28 0.0 0.0 -1
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166684 74723223 1 SN3O5C16H20 AB3C5D16E20 -103.27 7.16 0.0 0.0 -1
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166685 74723224 1 SO4N5H20C21 AB4C5D20E21 -22.22 2.73 0.0 0.0 -1
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166686 74723225 1 SO4N5C24H26 AB4C5D24E26 -30.12 11.89 0.0 0.0 1
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166687 74723226 1 O2N4C16H21 A2B4C16D21 -25.99 2.82 0.0 0.0 1
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166688 74723227 1 N5O5C28H34 A5B5C28D34 -138.13 6.65 0.0 0.0 3
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166689 74723228 3 ON2C8H11 AB2C8D11 -38.19 0.99 0.0 0.0 1
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166690 74723229 1 N2O4C17H21 A2B4C17D21 -127.41 7.74 0.0 0.0 -1
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166691 74723230 1 ClO4N5C13H13 AB4C5D13E13 -9.08 3.71 0.0 0.0 1
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166692 74723231 1 N3O3F4H16C22 A3B3C4D16E22 -206.76 5.59 0.0 0.0 1
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166693 74723232 1 N2O5C21H25 A2B5C21D25 -145.06 5.65 0.0 0.0 2