68730775 -OEChem-03292408523D 25 26 0 0 0 0 0 0 0999 V2000 -0.3433 -2.2271 1.1710 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.5669 0.2464 -0.0893 F 0 0 0 0 0 0 0 0 0 0 0 0 1.3257 -1.5432 -1.4382 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0063 0.2687 0.0202 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7976 0.5803 -0.1064 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6612 1.4579 0.5818 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1017 1.2216 0.9973 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2473 -0.7501 -0.3164 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7697 -0.7007 -0.6533 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4386 0.2384 0.0034 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1495 -0.8525 0.5039 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1223 1.3320 -0.5279 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5440 -0.8499 0.4725 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5170 1.3345 -0.5595 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2278 0.2436 -0.0592 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0844 1.8070 1.4465 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6319 2.2388 -0.1886 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5774 2.1803 1.2302 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1533 0.6056 1.9034 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3862 -1.3888 0.5635 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7733 -1.2164 -1.1566 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7877 0.4978 0.1232 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5914 2.1883 -0.9346 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1133 -1.6917 0.8582 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0497 2.1844 -0.9757 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 2 15 1 0 0 0 0 3 9 2 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 22 1 0 0 0 0 6 7 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 9 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 12 14 2 0 0 0 0 12 23 1 0 0 0 0 13 15 2 0 0 0 0 13 24 1 0 0 0 0 14 15 1 0 0 0 0 14 25 1 0 0 0 0 M END > 68730775 > 0.6 > 1 2 4 3 > 19 1 -0.18 10 0.12 11 0.18 12 -0.15 13 -0.15 14 -0.15 15 0.19 2 -0.19 22 0.36 23 0.15 24 0.15 25 0.15 3 -0.57 4 -0.48 5 -0.9 6 0.3 7 0.27 8 0.33 9 0.57 > 2 > 5 1 3 acceptor 1 5 cation 1 5 donor 6 10 11 12 13 14 15 rings 6 4 5 6 7 8 9 rings > 15 > 0 > 0 > 0 > 0 > 0 > 1 > 2 > 0418BF9700000001 > 51.1684 > 25.372 > 10608611 8 18412258437055420456 11132069 177 18338792420256559337 11471102 20 18131631179620028148 12119455 92 18131343142207381450 12236239 1 15482954951660478668 13380535 76 18411980290699099402 13538477 17 16226337009304107185 13581323 91 17676203584801447736 14614273 12 17676759860919107885 15207287 21 18412826880382705286 15219456 202 18342176682533991712 15279308 132 18333452036345630386 15775835 57 18040714744830547227 15852999 172 18410576201544817762 16945 1 18188766274828368000 17846911 113 18261106383351803161 18175812 5 18340206387898964364 18186145 218 18337956679650047045 19049666 15 18267027154435066280 200 152 17418091014209983109 20201158 50 18343306946196237302 20279233 1 18411703192183118187 20510252 161 18409165485351106545 20528008 55 18411135857178922409 20588541 1 18411703209463441552 20645464 45 18409448102719909417 20645476 183 16153718651588547587 20645477 70 18059574641964701039 20671657 53 17200249036075348110 21501502 16 18119249712270803364 21639500 275 17560791169528572008 21947302 44 18342458132009878538 23402539 116 18334564776593847927 23402655 69 18131064901278131125 23526113 38 18269285573073371338 23557571 272 18265346168781656411 23559900 14 18334581231194034846 25 1 18342739572431762816 2748010 2 18262530306871091379 43471831 8 17894905196720841099 474 4 15481523473826513242 53812653 166 18335701628466854706 6333449 129 18408602591168371667 69090 78 18271802445488990055 7364860 26 18119240662732961163 77492 1 15482674576100404784 81228 2 17826799432193637483 8809292 202 18408610279165229850 > 287.46 6.22 1.83 1.01 0.93 0.55 -0.04 -1.44 -0.03 -0.02 0.3 -0.44 0.24 0.97 > 600.129 > 163.7 > 2 5 10 $$$$