6604918 -OEChem-04252402073D 38 40 0 0 0 0 0 0 0999 V2000 4.9910 0.9652 -2.2981 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.8159 -3.7247 -0.0366 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8001 -1.6534 0.1458 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7547 0.5490 0.2791 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5780 -1.9495 0.1017 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6522 -0.2424 0.2316 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3672 0.2842 0.2464 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7564 -0.6697 0.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1579 -2.1896 0.1252 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5673 1.8861 0.3273 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2053 1.6707 0.2808 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6854 -2.5027 0.0634 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1516 -0.1925 0.2617 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3254 2.4907 0.3259 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7956 2.7315 0.3795 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6815 -2.3041 -1.2964 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8279 0.1215 -0.9123 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7778 -0.0597 1.4964 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2961 3.1142 -1.0107 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1460 0.5736 -0.8509 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0959 0.3924 1.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7800 0.7091 0.3842 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1436 -3.1906 0.5725 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8278 -1.5864 0.7477 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7768 2.1331 0.2803 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2129 3.5690 0.3583 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5877 2.1844 0.9055 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6097 3.6378 0.9685 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7299 -1.3241 -1.7822 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0362 -2.9461 -1.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6878 -2.7341 -1.2967 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3294 0.0145 -1.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2530 -0.3036 2.4163 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5447 3.6959 -1.5555 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2047 3.7194 -0.9324 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5286 2.2240 -1.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5894 0.4980 2.5196 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8067 1.0604 0.4474 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 12 2 0 0 0 0 3 6 1 0 0 0 0 3 9 1 0 0 0 0 3 12 1 0 0 0 0 4 6 1 0 0 0 0 4 10 2 0 0 0 0 5 8 2 0 0 0 0 5 12 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 13 1 0 0 0 0 9 16 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 11 14 2 0 0 0 0 11 25 1 0 0 0 0 13 17 2 0 0 0 0 13 18 1 0 0 0 0 14 26 1 0 0 0 0 15 19 1 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 17 20 1 0 0 0 0 17 32 1 0 0 0 0 18 21 2 0 0 0 0 18 33 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 20 22 2 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 M END > 6604918 > 0.6 > 1 8 5 4 2 7 3 6 > 26 1 -0.18 10 0.17 11 -0.15 12 0.84 13 0.09 14 -0.15 15 0.14 17 -0.15 18 -0.15 2 -0.57 20 0.18 21 -0.15 22 -0.15 25 0.15 26 0.15 3 -0.48 32 0.15 33 0.15 37 0.15 38 0.15 4 -0.62 5 -0.66 6 0.43 7 0.09 8 0.28 9 0.3 > 3 > 8 1 19 hydrophobe 1 2 acceptor 1 4 acceptor 1 5 acceptor 1 5 donor 6 13 17 18 20 21 22 rings 6 3 5 6 7 8 12 rings 6 4 6 7 10 11 14 rings > 22 > 0 > 0 > 0 > 0 > 0 > 1 > 4 > 0064C87600000001 > 62.1209 > 40.685 > 10319926 262 18199163219107062624 10411042 1 17834674181352957850 10498660 4 18412547583139192400 11640471 11 17749403589186151356 12173636 292 18411416181078043716 12236239 1 17749943488234750114 12390115 104 18199766781522537697 12403814 3 17458343005469388861 12553582 1 18194969766603645595 12788726 201 18189621711981196938 13140716 1 17905042904298099507 13965767 371 17969773082555575960 14739800 52 18120646097346630512 14790565 3 18338813307147055385 15806764 133 17774730856627717664 15842332 3 17895185637047951738 15961568 22 17836638996437897360 16752209 62 18410289250458366114 16945 1 18339360897659083714 17357779 13 17986659566580826071 173720 79 18115010914789313225 18186145 218 17775294845999686456 204376 136 18265333915424622849 20510252 161 18272089426249654242 20715895 44 17318720267286407605 20871999 31 18341619247392516180 21641784 216 18259984916067553661 22149856 69 18122361086472862233 22182313 1 18269291087990642943 2255824 54 17476643075275201401 22620623 9 18060420243974165919 23366157 5 17612881396182763203 23402539 116 18199739405190158543 23419403 2 17058345202448652689 23557571 272 18130227176845030208 23558518 356 18261391122272310650 23559900 14 18201162045046299660 23598291 2 17894629253935832898 25147074 1 18261099730437204762 2748010 2 18268723726984586803 283562 15 18341043112390980827 350125 39 18409735097141623817 394222 165 17827078398951593713 458136 41 17981060625675698673 53917941 68 18266157492805033293 68521 5 18339359789910689171 7364860 26 17693371148878005010 77492 1 17821725070378083058 7808743 9 18408611344533910148 81228 2 18341619277362452298 84936 182 17696747762093445025 > 433.81 9.23 3.62 1.34 6.53 1.09 0.45 -4.78 2.71 -6.2 0.51 1.8 -0.31 -0.69 > 931.853 > 240.2 > 2 5 10 $$$$