49792242 -OEChem-05072412403D 39 41 0 1 0 0 0 0 0999 V2000 2.1314 2.3813 -0.1595 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.8468 -2.3788 1.6264 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8842 -0.4631 0.6973 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0585 -1.7550 -0.8434 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4822 -1.0848 1.0931 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6920 -0.5040 0.3555 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0091 0.8511 0.4479 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2432 -1.1232 0.2944 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1167 1.3562 -0.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4826 -1.3541 -0.4178 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8492 -0.6883 -0.2435 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1610 1.7632 1.2765 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9074 0.5061 -1.0064 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5904 -0.8491 -1.0987 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1869 -0.1445 -0.1581 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2438 -1.4880 -1.1842 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4773 2.8034 -0.1513 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4213 1.2296 -0.1145 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2586 -1.0365 -0.1191 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7274 1.7121 -0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5649 -0.5540 -0.0367 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7993 0.8203 0.0069 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3122 -0.4924 1.9989 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2487 -2.4111 -0.5127 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9852 0.0908 1.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3600 2.8258 1.1184 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1007 1.6387 1.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3198 1.5619 2.3412 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7731 0.8830 -1.5446 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2044 -1.5105 -1.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6745 -1.8867 -2.0918 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6313 3.1105 0.8885 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7021 3.4228 -0.6143 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4131 3.0141 -0.6815 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0926 -2.6976 2.1516 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0982 -2.1118 -0.1491 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9281 2.7800 0.0029 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3995 -1.2483 -0.0057 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8164 1.1958 0.0713 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 5 1 0 0 0 0 2 35 1 0 0 0 0 3 8 1 0 0 0 0 3 11 1 0 0 0 0 3 25 1 0 0 0 0 4 8 2 0 0 0 0 4 16 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 23 1 0 0 0 0 6 7 1 0 0 0 0 6 10 2 0 0 0 0 7 9 2 0 0 0 0 7 12 1 0 0 0 0 9 13 1 0 0 0 0 9 17 1 0 0 0 0 10 14 1 0 0 0 0 10 24 1 0 0 0 0 11 15 1 0 0 0 0 11 16 2 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 13 14 2 0 0 0 0 13 29 1 0 0 0 0 14 30 1 0 0 0 0 15 18 1 0 0 0 0 15 19 2 0 0 0 0 16 31 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 18 20 2 0 0 0 0 19 21 1 0 0 0 0 19 36 1 0 0 0 0 20 22 1 0 0 0 0 20 37 1 0 0 0 0 21 22 2 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 M END > 49792242 > 0.6 > 1 113 140 95 89 8 92 43 125 84 153 118 100 116 108 75 65 15 152 105 97 14 121 136 139 81 53 149 80 135 138 115 142 82 42 12 151 114 37 111 106 128 11 66 57 6 72 126 69 145 77 109 32 40 58 2 79 47 61 122 123 60 87 141 104 74 107 3 85 59 10 71 90 7 148 28 73 29 127 62 67 101 150 23 5 49 35 130 50 31 34 86 144 96 134 146 27 88 51 91 83 19 124 63 9 137 24 102 112 48 76 119 117 133 132 64 30 120 78 99 21 25 39 103 147 70 22 154 13 36 26 41 68 110 45 54 93 33 131 94 98 17 55 156 143 129 16 38 52 155 44 4 56 20 46 18 > 32 1 -0.18 10 -0.15 11 -0.2 12 0.14 13 -0.15 14 -0.15 15 0.05 16 0.08 17 0.14 18 0.18 19 -0.15 2 -0.68 20 -0.15 21 -0.15 22 -0.15 24 0.15 25 0.27 29 0.15 3 0.03 30 0.15 31 0.15 35 0.4 36 0.15 37 0.15 38 0.15 39 0.15 4 -0.57 5 0.6 6 -0.14 7 -0.14 8 0.01 9 -0.14 > 3 > 7 1 2 acceptor 1 2 donor 1 3 donor 3 3 4 8 cation 5 3 4 8 11 16 rings 6 15 18 19 20 21 22 rings 6 6 7 9 10 13 14 rings > 22 > 0 > 1 > 0 > 0 > 0 > 1 > 2 > 02F7C4F200000001 > 55.9133 > 35.522 > 11089746 13 18334008394104409818 12107183 9 18046619006687837610 12166972 35 18261113018855021997 12403260 363 18343863337908586464 12507557 5 18335422395515975800 12596602 18 13840276878665532845 12633257 1 17022902384660075716 12670546 56 18113329800291691338 128620 24 15698002933273565630 13103583 49 12180131917413406589 13402501 40 18408321060130947701 13583140 156 18187932827935352402 14251764 38 18337394936524888100 14466204 15 18409724050432627296 14739800 52 18264467625084974112 14790565 3 17685225254814924772 15183329 4 18335699421370590112 15196674 1 18411982468442898692 15375462 189 8214146231084398708 15420108 30 16614490641806540384 17349148 13 18343023280986516568 17780758 139 11458419146018609351 19489759 90 18410290319915739802 200 152 17847059991050287947 20281475 54 9367337141751929835 20300324 65 18131632283674335329 21033648 144 18334571395101917740 21709351 56 18343017783291383788 22950370 63 8790884099083614174 23227448 37 18411138013938580397 23402539 116 18341326725722860414 235170 7 16200160867294419924 23559900 14 18411412951304763832 2838139 119 18411132532980139732 3268164 11 14979967947059944626 3472631 163 18267300929321886397 351380 180 18410854373728341284 4028521 119 18411136909778329737 4325135 7 18342455963673892975 441001 317 18408884040391070339 474 4 18337393747129527177 508706 21 18259698995515231149 5104073 3 17894631426656789018 5283173 99 18411415090198795265 5486654 36 8934991595110361629 57724786 102 17096102349620284820 59755656 520 17968093118982803555 6328613 192 18114190774216371804 7970288 3 10591169454481354405 9981440 41 18408886235098877411 > 438.79 12.68 2.52 1.08 6.62 1.01 0.15 4.38 -2.25 -1.25 0.14 -0.87 -0.33 0.09 > 949.946 > 242.5 > 2 5 10 $$$$