5281404 -OEChem-08052608103D 24 26 0 0 0 0 0 0 0999 V2000 0.0038 1.4552 -0.0005 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1811 -0.4182 0.0008 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4077 -0.7385 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0094 0.5195 -0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0083 -0.5327 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2288 0.8453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3891 0.6786 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2330 -1.8738 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1252 -1.3945 -0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5109 1.4066 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4136 -0.8479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6011 0.5322 0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6016 -1.6399 0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0622 2.0080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1480 2.4556 -0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8329 -2.8812 0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9951 -2.4730 -0.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6580 2.4814 0.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2761 -1.5090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2979 -2.4732 0.0016 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6101 0.9367 0.0016 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1514 1.8987 -0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7759 2.5782 -0.8893 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7788 2.5761 0.8915 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 6 1 0 0 0 0 1 15 1 0 0 0 0 2 7 2 0 0 0 0 2 13 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 3 8 1 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 9 2 0 0 0 0 6 10 2 0 0 0 0 7 14 1 0 0 0 0 8 13 2 0 0 0 0 8 16 1 0 0 0 0 9 11 1 0 0 0 0 9 17 1 0 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 11 12 2 0 0 0 0 11 19 1 0 0 0 0 12 21 1 0 0 0 0 13 20 1 0 0 0 0 14 22 1 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0 M END > 5281404 > 0.4 > 1 > 19 1 0.03 10 -0.15 11 -0.15 12 -0.15 13 0.16 14 0.14 15 0.27 16 0.15 17 0.15 18 0.15 19 0.15 2 -0.62 20 0.15 21 0.15 4 -0.15 6 -0.15 7 0.17 8 -0.15 9 -0.15 > 0 > 6 1 1 cation 1 1 donor 1 2 acceptor 5 1 3 4 5 6 rings 6 2 3 4 7 8 13 rings 6 5 6 9 10 11 12 rings > 14 > 0 > 0 > 0 > 0 > 0 > 1 > 2 > 0050967C00000001 > 30.2369 > 30.632 > 10608611 8 18409163290443184221 10967382 1 18338797939120528133 10980938 120 18412544335921785874 11132069 177 18410566310060828104 11471102 20 18410569561372066213 12032990 46 18410862031549723311 12932764 1 17531242799390635889 13140716 1 18410293575347735851 13296908 3 18408044009186290379 13380535 21 18411147943280138443 13380535 76 18336262448280176826 13897977 150 18410571811940437789 14144814 61 18411138013394897467 14325111 11 18410573998131512929 14576447 43 17841416331526410967 14790565 3 15533921336298542106 15196674 1 18410573998432043879 15219456 202 18409165515241186913 15442244 35 18195809561521498570 15536298 74 18343021095038060228 15775835 57 18272092754796476132 16945 1 18266740168988934567 17844478 74 17968386662795990581 17990270 104 18340488846528992510 18186145 218 18409450254240139893 193761 8 14735636251183261697 19591789 44 15811736781386549367 200 152 18059281115947781695 20201158 50 18410010996643888787 20645477 70 18341046342063800367 21267235 1 18411146818014979351 21501502 16 18411981347361105659 21501925 9 18337941325289689578 221490 88 18409176514753139570 2334 1 18410575123328340578 23402655 69 18341884170251076957 23463225 33 18409446960084574230 23552423 10 18334858298748212174 23559900 14 18341043000642540794 2748010 2 18409731767855653966 3312278 4 18340209686581436779 335352 9 18122624942274178237 5104073 3 18410013238922435555 528886 8 18411132545695879322 53812653 166 18200027472930904816 57096353 35 18340485693964553301 69090 78 18341044143235515479 7364860 26 18342458123652039454 8809292 202 18260836989997140859 9709674 26 18411141333278646783 > 278.15 5.8 2.02 0.6 1.19 0.01 0 0.58 0 -0.94 0 0.02 -0.01 0 > 628.364 > 148 > 2 5 10 $$$$

Harmane

Chemistry

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