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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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48670 11110405 1 NSiC22H27 ABC22D27 18.08 3.05 -8.4 0.27 0
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48671 11110412 1 O2F3H17C19 A2B3C17D19 -204.36 3.88 -9.0 -0.57 0
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48672 11110425 2 O2C10H15 A2B10C15 -175.84 1.78 -9.39 0.34 0
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48673 11110441 1 NO4H17C20 AB4C17D20 -93.92 5.19 -9.19 -1.55 0
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48674 11110452 1 ON5C19H21 AB5C19D21 39.45 1.74 -8.38 -0.96 0
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48675 11110459 1 OCl2N5H11C14 AB2C5D11E14 79.0 3.61 -9.6 -1.63 0
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48676 11110467 1 N2O5C17H24 A2B5C17D24 -194.79 11.54 -9.26 -0.52 0
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48677 11110468 1 N2O5C17H24 A2B5C17D24 -175.01 3.07 -9.46 -0.07 0
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48678 11110470 1 SN2O4C16H20 AB2C4D16E20 -31.03 6.24 -9.56 -1.57 0
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48679 11110480 4 OC5H8 AB5C8 -187.98 8.45 -9.58 -0.25 0
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48680 11110481 1 PSiO4C15H33 ABC4D15E33 -307.96 1.26 -9.65 0.64 0
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48681 11110483 2 NOC10H18 ABC10D18 -90.96 4.03 -8.34 1.04 0
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48682 11110486 1 SSiO2C18H28 ABC2D18E28 -133.53 2.65 -8.49 -0.03 0
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48683 11110489 1 NOSiC20H38 ABCD20E38 -53.73 3.8 0.0 0.0 0
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48684 11110499 1 BrSN2O2H9C13 ABC2D2E9F13 64.78 5.41 -9.25 -1.85 0
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48685 11110501 1 BrO2C17H21 AB2C17D21 -87.35 5.89 -9.56 -0.17 0
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48686 11110503 1 SN3O6H11C13 AB3C6D11E13 -166.42 5.59 -9.34 -1.43 0
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48687 11110505 1 N3O4H15C18 A3B4C15D18 -48.44 5.51 -9.74 -0.93 0
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48688 11110508 1 NPO6C14H28 ABC6D14E28 -363.57 6.29 -9.87 0.71 0
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48689 11110518 1 O2Se2C11H16 A2B2C11D16 110.16 8.02 -8.29 -1.3 0
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48690 11110521 1 O6H14C19 A6B14C19 -129.74 4.27 -8.82 -1.48 0
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48691 11110522 1 CrO4C17H18 AB4C17D18 43.07 3.04 -7.51 0.08 0
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48692 11110523 1 OC14H18 AB14C18 -22.42 3.27 -9.46 0.11 0
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48693 11110524 1 FN2O3H15C19 AB2C3D15E19 -72.4 3.37 -9.43 -1.03 0
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48694 11110525 1 SiO4F5C11H19 AB4C5D11E19 -496.62 3.64 -10.17 -0.02 0
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48695 11110526 1 O7C17H22 A7B17C22 -253.46 3.75 -8.76 0.24 0
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48696 11110527 1 O5H18C20 A5B18C20 -163.02 8.97 -9.05 -0.37 0
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48697 11110628 1 INO4H8C11 ABC4D8E11 -81.23 2.45 -9.82 -1.24 0
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48698 11110632 1 PO4N6C12H19 AB4C6D12E19 -147.72 4.66 -8.53 -0.09 0
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48699 11110635 1 SO7C15H18 AB7C15D18 -266.94 4.81 -9.48 -0.68 0
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48700 11114630 1 S2N4O7C27H38 A2B4C7D27E38 -286.61 6.48 -8.46 -0.59 0
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48701 11528239 1 SiO2N5C75H91 AB2C5D75E91 157.28 2.55 -7.71 -1.42 0
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48702 11528244 1 ClN2O20C60H89 AB2C20D60E89 -939.7 4.12 -8.62 -1.73 0
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48703 11528245 2 NO10C30H44 AB10C30D44 -877.32 8.42 -8.35 -1.98 0
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48704 11528246 1 O24C61H84 A24B61C84 -1034.7 7.13 -9.66 -0.95 0
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48705 11528247 1 O12N16C59H84 A12B16C59D84 -341.54 12.45 -8.62 -0.98 0
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48706 11528248 2 O6N9C28H48 A6B9C28D48 -532.54 11.81 -9.35 -0.29 0
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48707 11528249 1 N11O12C63H111 A11B12C63D111 -606.87 17.57 -8.86 -0.1 0
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48708 11528250 2 N4O7C33H45 A4B7C33D45 -540.34 1.33 -8.8 -0.58 0
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48709 11528251 1 SO14N15C55H97 AB14C15D55E97 -697.35 9.02 -9.02 -0.04 0
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48710 11528252 1 AuBF4N4C68H68 ABC4D4E68F68 97.6 19.09 -7.97 -2.17 0
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48711 11528253 2 N2C34H35 A2B34C35 275.86 2.9 -7.6 -1.14 0
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48712 11528254 1 O16N17C54H83 A16B17C54D83 -724.22 14.36 -9.09 -0.6 0
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48713 11528255 1 S2N14O15C54H82 A2B14C15D54E82 -635.25 6.78 -8.73 -0.54 0
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48714 11528256 7 O5C7H12 A5B7C12 -1509.01 7.4 -9.76 0.46 0
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48715 11528257 1 SiN5O13C70H99 AB5C13D70E99 -560.21 2.84 -8.91 -0.46 0
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48716 11528258 2 S2N4O10C26H31 A2B4C10D26E31 -673.0 11.5 -9.01 -1.5 0
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48717 11528259 7 SO4C6H10 AB4C6D10 -1100.86 4.54 -8.97 -0.27 0
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48718 11528261 1 N4O19C68H78 A4B19C68D78 -665.24 10.5 -9.13 -1.54 0
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48719 11528262 1 O13N24C52H100 A13B24C52D100 -518.88 15.79 -8.35 -1.88 0
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48720 11528263 1 O27C62H98 A27B62C98 -1264.68 7.87 -9.29 -0.26 0
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48721 11528264 2 O6N9C31H44 A6B9C31D44 -485.22 11.34 -8.31 -0.35 0
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48722 11528265 1 BCrF4N4H76C84 ABC4D4E76F84 688.99 3.04 0.0 0.0 0
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48723 11528266 1 NCl3O27C55H68 AB3C27D55E68 -1163.0 3.68 -9.89 -0.66 0
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48724 11528267 1 N14O17C60H96 A14B17C60D96 -787.75 8.63 -9.43 -0.37 0
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48725 11528268 1 PO19N23C45H88 AB19C23D45E88 -909.61 10.7 -9.0 -0.81 1
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48726 11528269 1 NaI2S3N10O16C39H50 AB2C3D10E16F39G50 -463.54 10.51 0.0 0.0 0
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48727 11528270 1 MgO7N8C78H102 AB7C8D78E102 -200.97 1.48 -6.98 -2.04 0
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48728 11528271 1 O7N8C78H104 A7B8C78D104 -134.98 4.58 -7.45 -2.03 0
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48729 11528272 1 N12O13C66H120 A12B13C66D120 -681.03 13.39 -9.27 -0.12 0
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48731 11528274 1 NaS6N12O16H48C52 AB6C12D16E48F52 -256.81 7.8 0.0 0.0 2
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48732 11528275 2 S3N6O8H24C26 A3B6C8D24E26 -228.1 10.6 -7.5 -2.26 1
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48733 11528276 1 NaSI2F5N7O11H46C49 ABC2D5E7F11G46H49 -504.72 15.39 0.0 0.0 0
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48734 11528277 1 SN15O17C59H95 AB15C17D59E95 -748.78 7.84 -8.11 -0.89 0
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48735 11528278 1 NSi4O16C68H119 AB4C16D68E119 -891.64 6.52 -8.66 -0.42 0
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48736 11528279 1 SiO24C68H104 AB24C68D104 -1123.57 8.96 -7.19 -0.83 0
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48737 11528280 2 F3O5N6C34H43 A3B5C6D34E43 -724.73 10.79 -9.13 -0.91 0
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48738 11528281 2 N2O16C29H41 A2B16C29D41 -1388.59 5.2 -9.32 -0.9 0
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48739 11528282 1 P4N20O25C41H52 A4B20C25D41E52 -1038.67 3.03 -9.18 -0.96 0
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48740 11528283 1 P4N20O25C41H52 A4B20C25D41E52 -1067.94 12.85 -8.84 -1.32 0
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48741 11528284 1 PO5C89H171 AB5C89D171 -635.46 2.89 -8.37 0.17 -1
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48743 11528286 2 OSiC48H56 ABC48D56 470.6 26.72 -6.63 -2.43 0
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48745 11528288 1 O43C51H86 A43B51C86 -1898.57 14.86 -9.96 -2.02 0
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48746 11528289 1 SO9N13F19C51H62 AB9C13D19E51F62 -1296.69 7.05 -8.94 -0.81 0
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48747 11528290 1 ON2Si8C79H176 AB2C8D79E176 -536.59 4.42 -8.99 1.58 0
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48748 11528291 2 H49C55 A49B55 663.5 0.89 -8.43 -1.39 0
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48749 11528292 1 Cl2N3O27C66H83 A2B3C27D66E83 -1109.21 1.44 -9.65 -0.79 0
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48750 11528293 1 SN2Si2O15C79H122 AB2C2D15E79F122 -817.08 4.72 -8.75 0.04 0
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48751 11528294 1 PS2N13O16C67H92 AB2C13D16E67F92 -758.52 11.6 -8.98 -1.0 0
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48752 11528295 1 O12N16C75H116 A12B16C75D116 -621.27 8.31 -9.29 -0.01 0
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48753 11528296 2 NO7C43H78 AB7C43D78 -900.74 10.17 -9.21 0.44 0
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48754 11528297 1 N5O35C61H87 A5B35C61D87 -1471.06 21.85 -8.99 -1.63 0
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48755 11528298 1 SP2N13O20C64H89 AB2C13D20E64F89 -722.51 11.13 -8.44 -1.71 0
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48756 11528299 6 NSiC15H20 ABC15D20 56.41 0.92 -8.24 -0.89 0
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48757 11528300 1 NPO27C71H136 ABC27D71E136 -1400.91 11.71 -9.16 -0.14 0
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48758 11528301 1 P3O19C81H97 A3B19C81D97 -828.38 4.59 -8.96 -0.21 0
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48759 11528302 1 N12O15C80H118 A12B15C80D118 -731.89 13.73 -9.01 -0.56 0
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48760 11528303 1 ISO16C85H91 ABC16D85E91 -348.53 10.64 -8.8 -1.22 0
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48761 11528304 1 NO36C70H113 AB36C70D113 -1675.81 9.65 -9.37 0.18 0
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48762 11528305 1 O25C85H136 A25B85C136 -1221.65 6.51 -7.51 -0.09 0
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48763 11528306 1 N2P2O12C91H186 A2B2C12D91E186 -971.87 20.79 -8.99 -0.23 2
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48765 11528308 1 SO10N13C85H167 AB10C13D85E167 -732.11 5.15 -8.94 -0.25 0
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48767 11528310 1 P2N4O17C83H164 A2B4C17D83E164 -1199.68 8.15 -9.58 0.13 0
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48768 11528311 2 S3Si6C39H67 A3B6C39D67 -311.81 5.96 -7.38 -0.86 0
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48769 11528312 6 NO2C17H25 AB2C17D25 -481.06 12.25 -7.84 -0.99 0
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48770 11528313 1 ClN11O19C86H142 AB11C19D86E142 -946.96 10.46 -9.31 -0.76 0
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48771 11528314 3 ClN2S2O8C24H29 AB2C2D8E24F29 -701.59 25.73 -6.59 -2.33 3
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48772 11528315 3 ClSN2O4C24H28 ABC2D4E24F28 -268.49 22.82 0.0 0.0 0
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48774 11528317 1 BN4P5C18O25H26 AB4C5D18E25F26 -1280.07 9.62 -7.63 -1.25 0
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48775 11528318 1 S2N23O25C74H121 A2B23C25D74E121 -1051.98 13.79 -8.62 -1.57 0