9614592 -OEChem-06191311113D 38 40 0 0 0 0 0 0 0999 V2000 -1.6039 1.7609 -0.7863 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.3302 -0.2718 0.3765 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -7.4412 1.1255 0.2810 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.9041 1.8402 1.6340 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.8369 2.3870 -0.4696 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.7263 -0.8325 -0.0963 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0128 -1.9293 0.2389 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7552 0.2069 -0.1185 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7384 1.1091 -0.3041 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0540 1.6742 -0.3270 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3579 1.3251 -0.1601 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1060 -0.9075 -0.1531 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3614 -0.1489 -0.1604 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2534 -1.5060 0.1976 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9362 0.2618 -0.3452 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8784 0.2189 0.1294 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2700 0.1425 0.0731 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7252 -2.1107 -0.4918 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8892 -1.0607 -0.2657 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1169 -2.1873 -0.5482 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3430 -2.4465 0.5136 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5353 0.6592 -0.3101 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0964 1.3467 0.3751 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0837 0.7488 -0.1301 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3725 -0.5549 0.2391 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6992 -0.9101 0.4087 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6593 0.0593 0.1994 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4811 1.1311 0.5566 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1524 -3.0039 -0.7287 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9717 -1.1400 -0.3155 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5991 -3.1234 -0.8146 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0203 -2.5561 -0.3395 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9207 -2.0956 1.3748 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9596 -3.4430 0.7589 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3836 1.7145 -0.6021 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5371 2.0647 -0.5741 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6098 -1.3095 0.4009 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9633 -1.9221 0.6966 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 2 27 1 0 0 0 0 3 23 1 0 0 0 0 4 23 1 0 0 0 0 5 23 1 0 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 6 15 1 0 0 0 0 7 14 2 0 0 0 0 8 9 1 0 0 0 0 8 22 2 0 0 0 0 9 24 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 24 2 0 0 0 0 11 27 2 0 0 0 0 12 16 1 0 0 0 0 12 18 2 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 13 22 1 0 0 0 0 14 21 1 0 0 0 0 16 17 2 0 0 0 0 16 28 1 0 0 0 0 17 19 1 0 0 0 0 17 23 1 0 0 0 0 18 20 1 0 0 0 0 18 29 1 0 0 0 0 19 20 2 0 0 0 0 19 30 1 0 0 0 0 20 31 1 0 0 0 0 21 32 1 0 0 0 0 21 33 1 0 0 0 0 21 34 1 0 0 0 0 22 35 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 37 1 0 0 0 0 26 27 1 0 0 0 0 26 38 1 0 0 0 0 M END > 9614592 > 0.8 > 1 92 48 86 57 31 90 88 20 11 84 38 93 13 54 67 8 36 91 66 74 2 81 89 45 46 47 71 63 79 23 68 24 19 76 44 49 37 73 10 78 35 6 32 85 75 41 25 77 9 17 83 52 59 64 87 14 80 69 70 39 72 18 7 12 51 82 21 42 3 30 28 53 62 27 65 55 40 5 26 61 29 34 50 4 22 43 33 16 58 56 60 15 > 35 1 -0.12 10 -0.31 11 -0.31 12 -0.02 13 -0.09 14 0.11 15 -0.03 16 -0.15 17 -0.14 18 -0.15 19 -0.15 2 -0.18 20 -0.15 21 0.18 22 0.48 23 1.16 24 0.41 25 -0.15 26 -0.15 27 0.49 28 0.15 29 0.15 3 -0.34 30 0.15 31 0.15 35 0.06 36 0.4 37 0.15 38 0.15 4 -0.34 5 -0.34 6 0.59 7 -0.71 8 -0.49 9 -0.46 > 5 > 8 1 11 acceptor 1 7 acceptor 1 8 acceptor 1 9 donor 3 9 10 24 cation 5 6 7 13 14 15 rings 6 10 11 24 25 26 27 rings 6 12 16 17 18 19 20 rings > 27 > 0 > 0 > 1 > 0 > 0 > 1 > 2 > 0092B50000000001 > 74.0955 > 40.597 > 10 15 18187087235190444433 10050765 1 18119525427596071846 100830 39 18411699846494135945 10299344 5 18334012805215125346 10411042 1 17908140238114591927 10670039 82 18413100672184870521 10674148 151 18408037430219260770 10906281 52 18187380847359871430 10917259 128 16987440789654270586 11135926 11 18334568027921540583 11315181 36 18409448124643171255 11524674 6 16917068905713685798 11578080 2 16734928065895432815 11719270 70 17704073980574851278 12091667 2 18272089431035380895 12104220 1 18201719518453143433 12236239 1 18409166632043551122 13885169 127 18342175561906262508 13914758 101 18413392034060167666 14251764 18 18335419089176979078 14251764 46 17894347787665179307 14394314 77 18408041792704052049 14790565 3 18335144245160749477 14933364 13 18410292523555650996 15021287 119 17458347463629553413 15183329 4 18260258668687822898 15419008 47 16415477147572952552 15461852 350 17417805180321444133 1577012 14 18408318900320975634 17093844 174 18342455963183269499 195137 175 18409455816898398236 21130935 74 18412542146132660450 21150785 3 11239996754693363332 21236236 1 18411135857553390989 21267235 1 18263363745628567823 21315763 28 18339641247348607311 23081809 10 18188212103977945590 23402539 116 18412542145393565207 23522609 53 18189641447609643052 23536379 177 18412262861208968730 23559900 14 18193551397310403944 23569917 315 18114749350923323843 3004659 81 18187361061336653424 335352 9 18408884053001679069 350125 39 18408318874297977212 4073 2 17968661648415045962 4339292 15 16414903271618596375 44389302 135 18338505346067652994 44802255 64 15482386461901619685 5758199 1 18259985981050760826 58260988 114 16588881217001056579 59755656 520 17603864533109610331 6138700 20 18335137613868140846 6328613 192 18342176631448091027 7226269 152 18272091591298494521 99344 41 18413106161201119262 > 507.68 24.66 2.26 0.77 33.78 0.28 -0.1 -6.15 -2.93 -2.86 0.03 -0.55 -0.13 -1.42 > 1085.198 > 285.3 > 2 5 10 $$$$