1926417 -OEChem-06181322273D 47 50 0 0 0 0 0 0 0999 V2000 -4.8202 -0.3614 2.7925 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.1160 0.1489 1.1663 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.1102 1.7119 -0.1476 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3152 0.1627 -0.6862 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0934 3.9935 1.4642 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8386 -2.5123 0.0506 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6137 -0.7608 1.2746 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4939 0.1044 0.1966 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3235 2.0614 1.2716 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6088 -1.2826 -0.1844 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1496 2.1435 0.2921 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2628 0.7218 -0.1328 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0584 2.2903 -0.7656 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0409 2.8284 -0.0253 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9559 1.3178 -1.1356 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5664 0.7512 0.8661 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2108 -2.2677 0.7056 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2004 2.8393 1.0616 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1583 0.6693 -0.6947 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3224 -3.6082 0.3362 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1156 -1.6032 -1.4339 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2025 2.2798 -2.1236 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4428 1.6441 -2.3695 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8305 -3.9461 -0.9181 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2270 -2.9437 -1.8032 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3982 0.4801 0.6699 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0994 0.2226 -1.6278 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8979 -4.6804 1.2823 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5025 -0.5928 0.1618 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5673 -0.1494 1.0972 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2683 -0.4070 -1.2007 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7385 -1.2554 0.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9251 3.8650 0.2801 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8129 -1.9999 1.6813 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4252 -0.8284 -2.1297 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0852 2.5151 1.7691 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4867 2.6738 -2.8573 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8925 1.4549 -3.3339 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9205 -4.9867 -1.2184 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6219 -3.2066 -2.7802 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6831 0.8176 1.4176 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9471 0.3535 -2.6961 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0656 -4.3777 2.3215 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8342 -4.9004 1.1475 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4694 -5.6006 1.1207 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9888 -0.7429 -1.9423 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6730 -2.9510 0.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 2 16 2 0 0 0 0 3 13 1 0 0 0 0 3 15 1 0 0 0 0 4 12 2 0 0 0 0 5 18 2 0 0 0 0 6 32 1 0 0 0 0 6 47 1 0 0 0 0 7 32 2 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 8 16 1 0 0 0 0 9 16 1 0 0 0 0 9 18 1 0 0 0 0 9 36 1 0 0 0 0 10 17 1 0 0 0 0 10 21 2 0 0 0 0 11 12 1 0 0 0 0 11 14 2 0 0 0 0 11 18 1 0 0 0 0 13 14 1 0 0 0 0 13 22 2 0 0 0 0 14 33 1 0 0 0 0 15 19 1 0 0 0 0 15 23 2 0 0 0 0 17 20 2 0 0 0 0 17 34 1 0 0 0 0 19 26 2 0 0 0 0 19 27 1 0 0 0 0 20 24 1 0 0 0 0 20 28 1 0 0 0 0 21 25 1 0 0 0 0 21 35 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 24 25 2 0 0 0 0 24 39 1 0 0 0 0 25 40 1 0 0 0 0 26 30 1 0 0 0 0 26 41 1 0 0 0 0 27 31 2 0 0 0 0 27 42 1 0 0 0 0 28 43 1 0 0 0 0 28 44 1 0 0 0 0 28 45 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 29 32 1 0 0 0 0 31 46 1 0 0 0 0 M END > 1926417 > 0.8 > 1 17 16 23 14 8 21 20 3 5 22 13 18 15 24 4 7 19 2 6 25 9 26 11 10 12 > 44 1 -0.18 10 0.12 11 0.03 12 0.62 13 0.09 14 -0.11 15 0.09 16 0.5 17 -0.15 18 0.62 19 0.05 2 -0.38 20 -0.14 21 -0.15 22 -0.15 23 -0.15 24 -0.15 25 -0.15 26 -0.15 27 -0.15 28 0.14 29 0.09 3 -0.28 30 0.18 31 -0.15 32 0.63 33 0.15 34 0.15 35 0.15 36 0.37 37 0.15 38 0.15 39 0.15 4 -0.57 40 0.15 41 0.15 42 0.15 46 0.15 47 0.5 5 -0.57 6 -0.65 7 -0.57 8 -0.24 9 -0.49 > 4.4 > 13 1 11 anion 1 2 acceptor 1 3 acceptor 1 4 acceptor 1 5 acceptor 1 6 acceptor 1 7 acceptor 1 9 donor 3 6 7 32 anion 5 3 13 15 22 23 rings 6 10 17 20 21 24 25 rings 6 19 26 27 29 30 31 rings 6 8 9 11 12 16 18 rings > 32 > 0 > 0 > 1 > 0 > 0 > 1 > 3 > 001D651100000001 > 120.0484 > 66.034 > 10669705 251 17970351632052107499 10928967 22 18267305335146345183 10951579 204 17314493865517546237 11421498 54 17560796624701638512 114674 6 18407758136342501410 117089 54 17767414486929165966 12047536 79 17632018538036041305 12107183 9 17914346680030248489 12147406 95 17751054982320551339 12596602 18 17274538853428822977 12623949 98 18412831273954713214 13402501 40 18187640319297888872 13533116 47 18341900722886191353 1361 87 17905045850640435598 13782708 43 18114453462657488914 14268113 111 17608384750942227499 14556957 393 13551457165220570639 14863182 85 18263360451262181700 14950920 106 17917715660824259531 15064986 96 17346041035006770356 15320291 9 17035560757242236915 15510800 12 18040159508860299691 16067690 210 15841550799256775187 16994733 274 14331974159035639442 1768 124 18338799043703102919 17909252 39 18191303763320051834 19301679 30 18409735054292086497 1979834 28 18335980990394073740 20505436 4 17201922750444811756 20775530 9 18192154789498340246 21133410 38 18057597870915273383 21197605 99 18195242449698022091 21315759 227 17973713680837545982 21623969 137 18408037433485748192 21796203 349 17845079694032852014 22440779 20 17900849074723459756 2260408 40 16629676224937709438 22864921 267 18339657680922227843 23569914 2 13012093243564751662 24893989 43 16881901160076357107 3004659 81 14779535812138317673 3044373 233 18263084310075625098 3117164 225 18057331587132237377 3178227 256 18341886433883731064 345986 75 17846495885619003777 3737641 26 18340768131320081268 3886686 26 17768263318832508433 404807 78 17749685081459263090 437795 139 16952242107077851314 50009960 94 17753018675686173810 5104073 3 18201720596584367161 5309563 4 18268150859767043310 613672 6 17749396992089809499 6376802 90 17392175349683231692 6698420 124 17627785650651629696 6700243 42 16515964757951994679 7918774 8 17968108499275852023 86090 222 18187369843384738250 9831232 110 18113621210013314263 > 624.96 16.41 4.86 2.03 23.41 2.85 -0.06 11.26 5.37 -7.94 0.52 0.96 -0.23 3.11 > 1367.447 > 341.7 > 2 5 10 $$$$