20282677 -OEChem-03282412333D 18 18 0 0 0 0 0 0 0999 V2000 0.2383 2.6040 0.3228 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.1907 -0.4477 0.1786 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.2758 0.7010 -1.1360 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2926 -0.0815 -0.1549 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4813 1.0475 0.1138 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3200 -1.3237 -0.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8676 0.9343 0.2173 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7064 -1.4370 -0.2164 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4802 -0.3079 0.0521 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7441 -0.0120 -0.2739 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5807 -0.8456 0.6486 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9148 -0.8315 0.5681 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2646 -2.2141 -0.5381 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4731 1.8139 0.4263 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1704 -2.4109 -0.3493 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0803 -1.4545 1.3935 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5053 -1.4369 1.2478 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4496 -0.2313 -0.1595 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 2 9 1 0 0 0 0 3 10 2 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 5 7 1 0 0 0 0 6 8 2 0 0 0 0 6 13 1 0 0 0 0 7 9 2 0 0 0 0 7 14 1 0 0 0 0 8 9 1 0 0 0 0 8 15 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 17 1 0 0 0 0 12 18 1 0 0 0 0 M END > 20282677 > 0.6 > 1 6 5 3 2 4 > 18 1 -0.18 10 0.47 11 -0.14 12 -0.3 13 0.15 14 0.15 15 0.15 16 0.15 17 0.15 18 0.15 2 -0.18 3 -0.57 4 0.09 5 0.18 6 -0.15 7 -0.15 8 -0.15 9 0.18 > 2 > 3 1 12 hydrophobe 1 3 acceptor 6 4 5 6 7 8 9 rings > 12 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 01357D3500000001 > 32.8619 > 15.223 > 10130415 120 18335138704415157867 11132069 177 18272375213747998065 11401426 45 18272642438265852679 12032990 46 18411986836324385959 124424 183 18260263049696798651 14993402 34 18341620338514500455 16945 1 18272660060247636303 17804303 29 18127128576900064346 18186145 218 11386371469308535671 19026448 4 16226050024343356327 193761 8 17764305437459357295 20510252 161 18200872855686067288 20511035 2 18053949734130088247 20559304 39 18408889537965020502 20645476 183 17896900930320594575 20871998 184 18201151040670213286 21501502 16 17983292913706016063 2297311 6 18272377426157360846 23402539 116 18130493159489393959 23419403 2 15905943749287262685 23463225 33 18408886204743604494 23552423 10 17905046202827194565 23559900 14 18199743653698433850 2748010 2 17112989460985312605 369184 2 18131059420678035874 43471831 8 18191865626266958386 53812654 25 18342173384030685550 7364860 26 18340769368318304044 81228 2 18198921213761885193 > 244.82 5.73 1.9 0.79 0.09 1.27 0.05 -2.26 -0.92 -0.01 -0.12 -0.33 0.02 -0.38 > 493.302 > 145.7 > 2 5 10 $$$$