7302 -OEChem-08052608023D 12 12 0 0 0 0 0 0 0999 V2000 0.0343 -1.1278 -0.0417 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0184 0.0234 -0.0612 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 0.6742 -0.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0810 1.2058 0.1869 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3416 -0.7813 0.1458 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7991 0.0057 0.0033 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2701 1.1923 0.2353 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5364 0.7676 -1.3207 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0696 1.4990 1.2405 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2409 2.0332 -0.4494 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6049 -0.9558 1.1942 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9705 -1.4102 -0.4907 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 2 6 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 M END > 7302 > 0.4 > 1 > 5 1 -0.43 2 -0.57 4 0.06 5 0.28 6 0.66 > 0.8 > 2 1 2 acceptor 5 1 3 4 5 6 rings > 6 > 0 > 0 > 0 > 0 > 0 > 1 > 2 > 00001C8600000001 > 1.2927 > 10.148 > 139733 1 9150909264207915089 16714656 1 18410582794266564388 20096714 4 18265896860739847492 21015797 1 9005326241115244921 21040471 1 18194118521275607137 29004967 10 18271251615537483203 5943 1 16304239491275714201 > 111.74 1.94 1.21 0.6 0.52 0.06 0.01 -0.06 -0.08 -0.25 0.04 -0.05 0.03 0.07 > 221.034 > 68.7 > 2 5 10 $$$$

GBL

Chemistry

Also known as