2310016 -OEChem-04262414103D 46 49 0 0 0 0 0 0 0999 V2000 6.2266 1.1587 2.3431 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.5245 -0.1833 1.5972 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0090 -0.3091 -0.1535 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5852 -0.2638 -0.9800 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3585 -4.2153 0.1296 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9331 0.6192 -0.1191 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7391 -1.7042 -0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3347 0.1506 -0.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6380 -1.2271 -0.0091 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3515 0.2025 -0.0494 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4723 -2.1724 -0.0447 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2308 2.0968 -0.1608 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8882 -2.6798 -0.1507 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9047 -1.6672 0.0599 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0556 0.4027 0.9453 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9397 0.3585 -1.4675 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9717 1.0654 -0.3684 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9884 -0.7269 0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3717 0.8592 0.8738 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2558 0.8149 -1.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6992 0.7949 0.7997 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5788 0.6188 -0.5821 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3789 1.5545 -0.4881 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6583 1.6561 1.3567 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4503 1.3310 -1.4344 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1539 -3.0734 0.0981 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5084 2.3489 0.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4074 2.1900 -0.8866 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1420 0.9436 -0.0353 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3066 -3.2431 -0.0166 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7536 2.3647 -1.0846 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8408 2.3976 0.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3166 2.7002 -0.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5441 -3.7196 -0.1145 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5518 -2.5354 0.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4664 -2.5691 -1.0736 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5847 0.2410 1.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3926 0.1672 -2.3875 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7067 0.9699 -2.5156 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6871 1.6589 -1.5344 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4849 2.5393 -0.0213 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0724 0.8502 -0.0169 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7429 1.7851 2.4314 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3802 1.2145 -2.5121 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2578 3.0206 0.9015 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0772 2.7373 -1.5444 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 18 1 0 0 0 0 2 21 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 4 18 2 0 0 0 0 4 22 1 0 0 0 0 5 26 3 0 0 0 0 6 10 2 0 0 0 0 6 12 1 0 0 0 0 7 11 2 0 0 0 0 7 13 1 0 0 0 0 8 15 2 0 0 0 0 8 16 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 2 0 0 0 0 10 29 1 0 0 0 0 11 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 18 1 0 0 0 0 14 26 1 0 0 0 0 15 19 1 0 0 0 0 15 37 1 0 0 0 0 16 20 2 0 0 0 0 16 38 1 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 17 23 1 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 24 2 0 0 0 0 22 25 2 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 24 27 1 0 0 0 0 24 43 1 0 0 0 0 25 28 1 0 0 0 0 25 44 1 0 0 0 0 27 28 2 0 0 0 0 27 45 1 0 0 0 0 28 46 1 0 0 0 0 M END > 2310016 > 0.6 > 1 6 3 5 2 4 > 36 1 -0.18 10 -0.15 11 -0.15 12 0.14 13 0.14 14 0.11 15 -0.15 16 -0.15 17 -0.14 18 0.33 19 0.18 2 -0.08 20 -0.15 21 0.04 22 0.23 23 0.14 24 -0.15 25 -0.15 26 0.49 27 -0.15 28 -0.15 29 0.15 3 -0.3 30 0.15 37 0.15 38 0.15 39 0.15 4 -0.57 43 0.15 44 0.15 45 0.15 46 0.15 5 -0.56 6 -0.04 7 -0.04 8 0.1 > 2.2 > 7 1 3 cation 1 4 acceptor 1 5 acceptor 5 2 4 18 21 22 rings 6 21 22 24 25 27 28 rings 6 3 6 7 9 10 11 rings 6 8 15 16 17 19 20 rings > 28 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 00233F8000000001 > 98.0198 > 35.595 > 10 15 17676213463706562321 10006869 2 18271238301666503176 105312 117 18411422821477577503 10906281 52 18341058449112078532 11089746 13 17632293462986632648 11578821 258 18122343743469273708 12293681 160 17846216614577415337 12422481 6 17748819705393116636 12616971 3 17240757419933595502 12788726 201 17632024026560757601 14068700 675 10663817473235564715 14118638 360 18412821396253047271 14394314 77 18129670686671077233 14556957 393 13829860157038004707 14790565 3 18267029345222224345 15081414 286 18337681814675705341 15183329 4 18410007741011465629 15238133 3 18259705618776346204 1601671 61 18407761452072928620 18608769 82 18339647866811679963 20511986 3 18272075085375048835 20642791 178 18043542805144792700 21033648 144 18261952952156301471 21033648 29 17386570129746426413 21033650 10 14979685338987516155 21150785 3 14405180681798517160 21279426 13 18271257057904983022 21298829 104 18341615859207372521 21421861 104 17749940060756130314 21424621 283 18271812272469284481 23522609 53 17604445105946700780 23559900 14 18271258174865317118 23569914 152 16839682829224408740 249057 25 17459472332549046582 2748736 6 18410289207403457869 2838139 119 18059855017698750537 34934 24 18410009935908383390 350125 39 18337679723781090459 3663271 9 16443069430105014672 3862424 121 13613083765376088901 4015057 19 16343420708390551443 465052 167 9295282855081471312 504843 32 18261108591582879723 5104073 3 18334295344890688715 5385378 56 18336550404315181435 59682541 52 17131840811576996830 6086070 43 17703503372446619706 6328613 192 18338239366203849628 7226269 152 18342742926806944304 > 567 18.16 3.15 1.42 3.95 3.19 -0.4 -16.33 -0.78 -2.83 -0.03 0.8 -0.68 0.48 > 1230.155 > 313.7 > 2 5 10 $$$$