1251584 -OEChem-04262416253D 43 46 0 0 0 0 0 0 0999 V2000 -7.0818 1.9241 1.4117 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.4200 -1.2180 2.0779 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.2733 1.5220 -2.2804 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8905 -0.2193 -0.4143 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6630 0.9410 -0.6906 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6214 -2.1961 -0.2366 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2258 -0.7335 0.3924 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5268 0.4402 -1.6797 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2784 0.3548 0.5954 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5442 1.5029 -1.4405 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1384 -0.8499 -0.3461 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9592 1.0276 -1.1987 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3274 -0.1871 0.0756 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2533 -2.2070 -0.7063 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5450 -0.8985 0.1147 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0558 0.4761 -0.3928 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2840 1.1668 0.4495 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4885 -2.8185 -0.6355 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6871 -0.2198 0.5311 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4414 1.8206 0.8623 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4310 -0.8544 -0.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7140 1.2867 0.5277 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6442 1.1261 0.9031 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4732 -1.3788 0.2096 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7562 0.7623 1.2923 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1357 -0.5704 1.1333 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6754 -1.5958 -0.1154 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1318 -1.0687 1.3733 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4018 0.9166 -2.1381 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1545 -0.3162 -2.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8722 1.1674 1.2101 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1349 -0.0601 1.1306 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8804 1.9163 -2.3966 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1371 2.3303 -0.8469 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3889 -2.7722 -1.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3576 1.7355 0.4313 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6090 -3.8618 -0.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6353 -0.7550 0.5668 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3891 2.8675 1.1487 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9200 -1.4922 -1.2714 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4251 2.3261 0.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7576 -2.4192 0.0755 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2631 1.4039 2.0085 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 26 1 0 0 0 0 3 12 2 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 11 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 12 1 0 0 0 0 6 15 2 0 0 0 0 6 18 1 0 0 0 0 7 9 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 10 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 12 16 1 0 0 0 0 13 15 1 0 0 0 0 13 17 1 0 0 0 0 14 18 2 0 0 0 0 14 35 1 0 0 0 0 15 19 1 0 0 0 0 16 21 2 0 0 0 0 16 22 1 0 0 0 0 17 20 2 0 0 0 0 17 36 1 0 0 0 0 18 37 1 0 0 0 0 19 23 2 0 0 0 0 19 38 1 0 0 0 0 20 23 1 0 0 0 0 20 39 1 0 0 0 0 21 24 1 0 0 0 0 21 40 1 0 0 0 0 22 25 2 0 0 0 0 22 41 1 0 0 0 0 24 26 2 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 M END > 1251584 > 0.8 > 1 11 6 9 3 4 5 10 7 2 8 > 34 1 -0.18 10 0.3 11 0.1 12 0.54 14 -0.15 15 0.31 16 0.09 17 -0.15 18 0.16 19 -0.15 2 -0.18 20 -0.15 21 -0.15 22 -0.15 23 0.18 24 -0.15 25 -0.15 26 0.18 3 -0.57 35 0.15 36 0.15 37 0.15 38 0.15 39 0.15 4 -0.84 40 0.15 41 0.15 42 0.15 43 0.15 5 -0.66 6 -0.62 7 0.37 8 0.37 9 0.3 > 4.2 > 7 1 3 acceptor 1 4 cation 1 6 acceptor 6 13 15 17 19 20 23 rings 6 16 21 22 24 25 26 rings 6 4 5 7 8 9 10 rings 6 6 11 13 14 15 18 rings > 26 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 0013190000000001 > 92.8951 > 35.554 > 10319926 262 18202289112635789678 10595046 47 18194686092708693884 11056379 131 11025788808880944399 12107183 9 18409733919666242521 12236239 1 18260552251156099009 12422481 6 18335703801920981302 12596602 18 18272649078063701282 12616971 3 17821731662583313261 12760667 363 17385718076474133658 12838862 33 18200308820124616337 13073987 5 18265898140740211634 13583140 156 17275098470345165094 13668630 136 14634869713408228034 13673619 4 13840272493962683845 13690498 29 11169918307782445787 13782708 43 14707211062765833169 13911987 19 14979961393077123993 13914758 101 17822004308030403525 14251764 18 18335140912418699028 14251764 30 14996290231644670065 14466204 15 18201723954969029233 15021287 119 17748828509707223900 15131766 46 16736386259232927133 15183329 4 18333734632245579934 15250474 111 18337951315326215142 15348495 7 18130782404135718288 15461852 350 17346594209867846461 1577012 14 18260840327429225597 16991971 28 11098443468204306145 1813 80 17385447613566756326 19141452 34 18409165532484678246 20554085 129 17560232523564924155 21033648 29 16558757814285564205 21130935 74 18410569617898394010 21150785 3 9799684913734995776 21267235 1 17313383380247898938 21365058 113 14490480768211991470 21403212 168 18334574591232331517 21859007 373 18044937870715606845 2303208 19 14634869777278913901 23081809 10 18261115222130631031 23522609 53 17969809452592139236 23559900 14 17773343208143521788 23569943 247 17604976040876619442 3004659 81 18409177623334172174 312425 54 18410566310699118994 3504750 166 18410281519401591671 3633792 109 18188192261899522991 3663271 9 18339919420107449368 3680242 22 17894625942543000034 4073 2 18336830896335387650 445580 182 18272923925890283182 465052 167 16660371368037418128 5028188 123 18200318844699072180 5104073 3 18335707203339816289 513202 73 17095801032126346221 54039377 194 17023466336116687818 559249 180 18335134293763592423 6058803 2 17974018533088822421 9965369 4 18409165506756838443 9981440 41 18343033181551551579 > 517.99 18.87 2.26 1.59 8.16 0.99 0.24 -1.28 -11.51 -2.91 0.13 1.94 -0.5 -2.53 > 1116.315 > 286.1 > 2 5 10 $$$$