0 B12R1.37 BrCCNCCCc1ccsc1 bd87fef48ea15ab5d0befdec66ad2ff9 [0,0,1,0,0,0|3,0,0]=4 1 B12R1.37 C#CCCNCCc1ccsc1 3d2599f54660a1eb344e8887b8f85694 [0,0,1,0,0,0|2,0,1]=4 2 B12R1.37 C#CCCOCCc1ccoc1 98b93d52b63a622d12d1a90136f401e4 [0,0,1,0,0,0|1,1,1]=4 3 B12R1.37 C#CCCOCCc1ccsc1 0af82c123f411ba481770ea413be9d41 [0,0,1,0,0,0|1,0,1]=3 4 B12R1.37 C#CCCOCCc1cscn1 712664c36beb49d031181d64b5d08557 [0,0,1,0,0,0|2,0,1]=4 5 B12R1.37 C/C=C/COCCc1ccsc1 4d7bebae239f8d6e582a65d0e7df1836 [0,0,1,0,0,0|1,0,2]=4 6 B12R1.37 C/C=C\COCCc1ccsc1 1e47cfa598ac2336b08614ca03a1c58a [0,0,1,0,0,0|1,0,2]=4 7 B12R1.37 C=CCCNCCc1ccsc1 a89626f19a415646722e12509714c276 [0,0,1,0,0,0|2,0,1]=4 8 B12R1.37 C=CCCOCCc1ccoc1 e4b3a58bb67bddf76455ff8c34c21c4e [0,0,1,0,0,0|1,1,1]=4 9 B12R1.37 C=CCCOCCc1ccsc1 5b0e0d2940a2cec032db95aa0cf9bada [0,0,1,0,0,0|1,0,1]=3 10 B12R1.37 C=CCCOCCc1cscn1 a1be6c9c39d9141764c6c18bc7637d74 [0,0,1,0,0,0|2,0,1]=4 11 B12R1.37 CC#CCOCCc1ccsc1 592115caaa38a056f4bf68256cb571f5 [0,0,1,0,0,0|1,0,2]=4 12 B12R1.37 CC=CCOCCc1ccsc1 63d157ed6e98c05f8e557ad83ccab744 [0,0,1,0,0,0|1,0,2]=4 13 B12R1.37 CCCCCCNc1ccsc1 5ba40a52416a11397194d3617b38f0ff [0,0,1,0,0,0|3,0,0]=4 14 B12R1.37 CCCCCCOc1ccsc1 a7610cf63e6a46c86b579b49f9213938 [0,0,1,0,0,0|3,0,0]=4 15 B12R1.37 CCCCCNCc1ccsc1 510dddad8ded30079c478dd1899eed5a [0,0,1,0,0,0|3,0,0]=4 16 B12R1.37 CCCCCOCc1ccsc1 ae1ae703d33c8e0732dd3bd7899b2ac1 [0,0,1,0,0,0|3,0,0]=4 17 B12R1.37 CCCCNCCc1ccsc1 03005826e547d3678744c5840318ae4c [0,0,1,0,0,0|2,0,0]=3 18 B12R1.37 CCCCNCCc1cscn1 60645d4405e84ba342ad7e49549674db [0,0,1,0,0,0|3,0,0]=4 19 B12R1.37 CCCCOCCc1c[nH]cn1 1d2ad080616480e76814deb7197a4ec1 [0,0,1,0,0,0|3,0,0]=4 20 B12R1.37 CCCCOCCc1cc[nH]n1 7f862ee5252b10efabc380b59aebb0c7 [0,0,1,0,0,0|3,0,0]=4 21 B12R1.37 CCCCOCCc1ccc[nH]1 2a249f4ef911c7d8e77cd7a1400e21b3 [0,0,1,0,0,0|3,0,0]=4 22 B12R1.37 CCCCOCCc1ccco1 fbd46e274ee803351ace623e362366aa [0,0,1,0,0,0|3,0,0]=4 23 B12R1.37 CCCCOCCc1cccs1 47097e7bfcc74e542094fab3faba3fa4 [0,0,1,0,0,0|3,0,0]=4 24 B12R1.37 CCCCOCCc1ccoc1 da9e77b0fa6c4a1131d57cb2e0c1b34a [0,0,1,0,0,0|1,1,0]=3 25 B12R1.37 CCCCOCCc1ccon1 23ea2f853889a2ef22b0dea7c28c7d6e [0,0,1,0,0,0|2,1,0]=4 26 B12R1.37 CCCCOCCc1ccsc1 ac92ac2fee99f06dba56f03c017187e8 [0,0,1,0,0,0|1,0,0]=2 27 B12R1.37 CCCCOCCc1cn[nH]c1 60586425952f5aa5ef84d91e4eca85cf [0,0,1,0,0,0|3,0,0]=4 28 B12R1.37 CCCCOCCc1cnoc1 9b96a57bba92665cb4e4de529a2e0004 [0,0,1,0,0,0|2,1,0]=4 29 B12R1.37 CCCCOCCc1cscn1 b5608be31537b23a230e8eebf8b8c6a2 [0,0,1,0,0,0|2,0,0]=3 30 B12R1.37 CCCCOCCn1cccc1 003141c0103e2139db2e5ca156580184 [0,0,1,0,0,0|3,0,0]=4 31 B12R1.37 CCCCOCCn1ccnc1 9825bce2272cb99aa76935cc5b523d2c [0,0,1,0,0,0|3,0,0]=4 32 B12R1.37 CCCCOCNc1ccsc1 bc99b63296cae555f3f2244eaf6e9f72 [0,0,1,0,0,0|2,0,0]=3 33 B12R1.37 CCCCOCNc1cnsc1 d796be28fe90cd2c617c42dd9cacef48 [0,0,1,0,0,0|3,0,0]=4 34 B12R1.37 CCCCOCNc1cscn1 524a825bf3b2491776d5ed87a0eec1a7 [0,0,1,0,0,0|3,0,0]=4 35 B12R1.37 CCCCOCOc1ccsc1 a5104ed8d348ce0565ced09e00148c2a [0,0,1,0,0,0|2,0,0]=3 36 B12R1.37 CCCNCCCc1ccsc1 cb14ba7ff4b0a489366f6e57d42af54b [0,0,1,0,0,0|3,0,0]=4 37 B12R1.37 CCCOCCCc1ccsc1 d00ef8d58f6d2c3c3ef484f820b66091 [0,0,1,0,0,0|3,0,0]=4 38 B12R1.37 CCOCNCCc1ccsc1 177b05799b0624fe0267ce5ec6311d6a [0,0,1,0,0,0|3,0,0]=4 39 B12R1.37 CCOCOCCc1ccsc1 7287a0de3e2119cbceca9b60976f7bb5 [0,0,1,0,0,0|2,0,0]=3 40 B12R1.37 COCCNCCc1ccsc1 b9d40f3307ce27960b49ce6f71d9eaad [0,0,1,0,0,0|3,0,0]=4 41 B12R1.37 COCCOCCc1ccoc1 45ad6f63974c44ce6d45c1b819cd085f [0,0,1,0,0,0|2,1,0]=4 42 B12R1.37 COCCOCCc1ccsc1 ddea5d9f5d03f8bc607595a7c170e27d [0,0,1,0,0,0|2,0,0]=3 43 B12R1.37 COCCOCCc1cscn1 7cd762975a649c8ff7ab184966d6c584 [0,0,1,0,0,0|3,0,0]=4 44 B12R1.37 COCCOCNc1ccsc1 ccbc12eadddb67e0fcc18241a1474184 [0,0,1,0,0,0|3,0,0]=4 45 B12R1.37 COCCOCOc1ccsc1 670a4b562b98ee18dfee8f5e60b4dd0e [0,0,1,0,0,0|3,0,0]=4 46 B12R1.37 CSCCNCCc1ccsc1 6edff3acafc8e929e608010672e61572 [0,0,1,0,0,0|3,0,0]=4 47 B12R1.37 CSCCOCCc1ccoc1 33fc86659a1eb83b7f55e6a226c350ab [0,0,1,0,0,0|2,1,0]=4 48 B12R1.37 CSCCOCCc1ccsc1 150c3b2bed246ea4fb35dcbc458c75d1 [0,0,1,0,0,0|2,0,0]=3 49 B12R1.37 CSCCOCCc1cscn1 b2560d7e15f4fe7b09cf11ef597d5473 [0,0,1,0,0,0|3,0,0]=4 50 B12R1.37 Cl/C=C/COCCc1ccsc1 af3f4535fa9466adc05477acfd95e708 [0,0,1,0,0,0|1,0,2]=4 51 B12R1.37 Cl/C=C\COCCc1ccsc1 c283dc8ccc5c714acd0d1f9a5e8c9e5e [0,0,1,0,0,0|1,0,2]=4 52 B12R1.37 ClC=CCOCCc1ccsc1 942b6d15d2d032c7a1c39a50eb63c363 [0,0,1,0,0,0|1,0,2]=4 53 B12R1.37 ClCCCCCNc1ccsc1 9930ac323e82b7d93954bd83a6d84cfd [0,0,1,0,0,0|3,0,0]=4 54 B12R1.37 ClCCCCNCc1ccsc1 ecabefec97b161fde4af58549c7bcacf [0,0,1,0,0,0|3,0,0]=4 55 B12R1.37 ClCCCNCCc1ccsc1 e7b1f1bb4bf385f18cd8d6e484dada2f [0,0,1,0,0,0|2,0,0]=3 56 B12R1.37 ClCCCNCCc1cscn1 88edcf0180085ea92e61c73ee920257b [0,0,1,0,0,0|3,0,0]=4 57 B12R1.37 FCCCCCNc1ccsc1 87d35e89e2e0e5d5d687d29c7657581a [0,0,1,0,0,0|3,0,0]=4 58 B12R1.37 FCCCCCOc1ccsc1 e6b66abc5d149c9c484ca14b96481bb1 [0,0,1,0,0,0|3,0,0]=4 59 B12R1.37 FCCCCNCc1ccsc1 21a1f45b778dce577a4b5b214db1cc23 [0,0,1,0,0,0|3,0,0]=4 60 B12R1.37 FCCCCOCc1ccsc1 138036ce1101fb98cb901b95f0c40bea [0,0,1,0,0,0|3,0,0]=4 61 B12R1.37 FCCCNCCc1ccsc1 b9b9a66ab6ad15bdb6a77383811c72fb [0,0,1,0,0,0|2,0,0]=3 62 B12R1.37 FCCCNCCc1cscn1 6cd52d9d0fd40ad0ecc61b160b234acc [0,0,1,0,0,0|3,0,0]=4 63 B12R1.37 FCCCOCCc1c[nH]cn1 c9c5a06af868ae83ce4f27817f295bf3 [0,0,1,0,0,0|3,0,0]=4 64 B12R1.37 FCCCOCCc1cc[nH]n1 a418b7318a5107146d74fc4d79df1f14 [0,0,1,0,0,0|3,0,0]=4 65 B12R1.37 FCCCOCCc1ccc[nH]1 4d84df59827e2989f1b4ccdc5c3f484a [0,0,1,0,0,0|3,0,0]=4 66 B12R1.37 FCCCOCCc1ccco1 339c609084b39547c8023170ffcf641f [0,0,1,0,0,0|3,0,0]=4 67 B12R1.37 FCCCOCCc1cccs1 25c2cfaa29877e1ab22058401c3445ef [0,0,1,0,0,0|3,0,0]=4 68 B12R1.37 FCCCOCCc1ccoc1 6dabb22d0a8cef93162677af632a5836 [0,0,1,0,0,0|1,1,0]=3 69 B12R1.37 FCCCOCCc1ccon1 b736cc0d610927b487a126510af06001 [0,0,1,0,0,0|2,1,0]=4 70 B12R1.37 FCCCOCCc1ccsc1 9ffb2a7a2b41888b57f96eaf746c86f2 [0,0,1,0,0,0|1,0,0]=2 71 B12R1.37 FCCCOCCc1cn[nH]c1 39e073b1c0cf680b0c81429a5d58174e [0,0,1,0,0,0|3,0,0]=4 72 B12R1.37 FCCCOCCc1cnoc1 f4622d13d42615b375bd25091951dcc4 [0,0,1,0,0,0|2,1,0]=4 73 B12R1.37 FCCCOCCc1cscn1 3ce1f2c4f013761d6752239b29245ac3 [0,0,1,0,0,0|2,0,0]=3 74 B12R1.37 FCCCOCCn1cccc1 5b1dcfc722ab4b6337a5d1b8bd6757b4 [0,0,1,0,0,0|3,0,0]=4 75 B12R1.37 FCCCOCCn1ccnc1 f8db89cac0bc0c199fb7a26d4d916e31 [0,0,1,0,0,0|3,0,0]=4 76 B12R1.37 FCCNCCCc1ccsc1 ac11486c59c489a423dfff8f44e5e84a [0,0,1,0,0,0|3,0,0]=4 77 B12R1.37 FCCOCCCc1ccsc1 3c78263f32a964f92b4da2a133a0315c [0,0,1,0,0,0|3,0,0]=4 78 B12R1.37 IC#CCOCCc1ccsc1 2ad0a7b4f31499ae6c519d89bdaaffba [0,0,1,0,0,0|1,0,2]=4 79 B12R1.37 ICCNCCCc1ccsc1 1923a65919df7ca7bf39120488503b40 [0,0,1,0,0,0|3,0,0]=4 80 B12R1.37 N#CCCNCCc1ccsc1 45ca2935405d3f50b2cbfdfbf04684f1 [0,0,1,0,0,0|1,0,2]=4 81 B12R1.37 N#CCCOCCc1ccoc1 645c108e122eac0830d55222f8ce8899 [0,0,1,0,0,0|0,1,2]=4 82 B12R1.37 N#CCCOCCc1ccsc1 87a85ac039a0ef689fd83342eae3d017 [0,0,1,0,0,0|0,0,2]=3 83 B12R1.37 N#CCCOCCc1cscn1 8f5daccf171972c780f14e84b373dd1b [0,0,1,0,0,0|1,0,2]=4 84 B12R1.37 N#CSCOCCc1ccsc1 f3bd212fbd93dcab3d9763668ae6b6c2 [0,0,1,0,0,0|1,0,2]=4 85 B12R1.37 NOCCCCNc1ccsc1 a7e47529af5096b03b0e0c96dd99ba64 [0,0,1,0,0,0|3,0,0]=4 86 B12R1.37 NOCCNCCc1ccsc1 087910908c7f9d6f6dc79d6611144092 [0,0,1,0,0,0|2,0,0]=3 87 B12R1.37 NOCCNCCc1cscn1 a20d415018a9ffe7b4a47ef4b14e255d [0,0,1,0,0,0|3,0,0]=4 88 B12R1.37 O=CCCNCCc1ccsc1 201ce68a7f6d177343fa00898c998361 [0,0,1,0,0,0|2,0,1]=4 89 B12R1.37 O=CCCOCCc1ccoc1 79d49dbbf539d8d8d426b8a035ba65fc [0,0,1,0,0,0|1,1,1]=4 90 B12R1.37 O=CCCOCCc1ccsc1 3022589e9902ce55385ee764e66b4cee [0,0,1,0,0,0|1,0,1]=3 91 B12R1.37 O=CCCOCCc1cscn1 f2be67e7c47c260865691eecf8808eef [0,0,1,0,0,0|2,0,1]=4 92 B12R1.37 OCCCCCNc1ccsc1 e9161a7afb1cee2668d7b5844144fe6e [0,0,1,0,0,0|3,0,0]=4 93 B12R1.37 OCCCCNCc1ccsc1 b3e610fcda21e10ec47ca7fe9aee3874 [0,0,1,0,0,0|3,0,0]=4 94 B12R1.37 OCCCNCCc1ccsc1 018a68026772759b06c27d614343d693 [0,0,1,0,0,0|2,0,0]=3 95 B12R1.37 OCCCNCCc1cscn1 cf9d0d3d52653c0f6d970b7b3c7d29b3 [0,0,1,0,0,0|3,0,0]=4 96 B12R1.37 OCCNCCCc1ccsc1 68b8ee244790e74addfbb626dec6303e [0,0,1,0,0,0|3,0,0]=4 97 B12R1.37 SCCCCNCc1ccsc1 b7e026a43decebb22bdee3fc6aef25f1 [0,0,1,0,0,0|3,0,0]=4 98 B12R1.37 SCCCCOCc1ccsc1 01b09d7ec44eb9a5921d2a8db79a9a67 [0,0,1,0,0,0|3,0,0]=4 99 B12R1.37 SCCCNCCc1ccsc1 7f0c2201a3983732817d78a82cf6687d [0,0,1,0,0,0|2,0,0]=3 100 B12R1.37 SCCCNCCc1cscn1 3758d9a2aee398bc0ad17d861820628a [0,0,1,0,0,0|3,0,0]=4 101 B12R1.37 SCCCOCCc1c[nH]cn1 4d57ad834f4b0cd3243539f8718faff7 [0,0,1,0,0,0|3,0,0]=4 102 B12R1.37 SCCCOCCc1cc[nH]n1 ba74285f1c5cbf212173929e2cbd2912 [0,0,1,0,0,0|3,0,0]=4 103 B12R1.37 SCCCOCCc1ccc[nH]1 78a013cccb142b5fbbb9da691f416f39 [0,0,1,0,0,0|3,0,0]=4 104 B12R1.37 SCCCOCCc1ccco1 96d6cad083fc1961742f11a4d6786cf5 [0,0,1,0,0,0|3,0,0]=4 105 B12R1.37 SCCCOCCc1cccs1 601e00785437d492ee64c81b8e2abe07 [0,0,1,0,0,0|3,0,0]=4 106 B12R1.37 SCCCOCCc1ccoc1 07c587db886e0f527aa9f48a567d230a [0,0,1,0,0,0|1,1,0]=3 107 B12R1.37 SCCCOCCc1ccon1 6ab8baf6f86f024b642d14ea8a587f60 [0,0,1,0,0,0|2,1,0]=4 108 B12R1.37 SCCCOCCc1ccsc1 e43ef2f946763f54f1103e8ca1ac1cbc [0,0,1,0,0,0|1,0,0]=2 109 B12R1.37 SCCCOCCc1cn[nH]c1 4de1c7eadee390e62ecc4ecda2e35174 [0,0,1,0,0,0|3,0,0]=4 110 B12R1.37 SCCCOCCc1cnoc1 360ddb879056f99112bdf256d1599435 [0,0,1,0,0,0|2,1,0]=4 111 B12R1.37 SCCCOCCc1cscn1 1e8bc757413a43af372d703ef80bb359 [0,0,1,0,0,0|2,0,0]=3 112 B12R1.37 SCCCOCCn1cccc1 eb7086e9736253e933f8c28e4eca09e1 [0,0,1,0,0,0|3,0,0]=4 113 B12R1.37 SCCCOCCn1ccnc1 be9d2a0b635a9ee1e90405f6d18315af [0,0,1,0,0,0|3,0,0]=4 114 B12R1.37 SCCNCCCc1ccsc1 61d83f51afd86978aa2533605658b4be [0,0,1,0,0,0|3,0,0]=4 115 B12R1.37 SCCOCCCc1ccsc1 e2e5e04faf31d8b4b38736fb046ee201 [0,0,1,0,0,0|3,0,0]=4 116 B12R1.293 C=CCC(OCC)c1ccco1 6a5e1ad5898ce01a332ce768d7867a7c [0,0,1,0,0,0|1,1,1]=4 117 B12R1.293 CCCC(NCC)c1cccs1 cec8000331bbd1768c86cb9fd935c7f2 [0,0,1,0,0,0|2,0,0]=3 118 B12R1.293 CCCC(NCF)c1cccs1 54613fefc714faa2764312c1a79c2dac [0,0,1,0,0,0|3,0,0]=4 119 B12R1.293 CCCC(NCO)c1cccs1 bda0c9d05610ecaaf508da3421a0c618 [0,0,1,0,0,0|3,0,0]=4 120 B12R1.293 CCCC(OCC)c1cccs1 9ec41d067da7681220b95b00ce3c1f66 [0,0,1,0,0,0|1,0,0]=2 121 B12R1.293 CCCC(OCF)c1cccs1 a5ce9cac72dcac79e24c4aa92f78a1ab [0,0,1,0,0,0|2,0,0]=3 122 B12R1.293 CCNC(CCO)c1cccs1 d317e03b387dfba69ba515e7fe20f09c [0,0,1,0,0,0|2,0,0]=3 123 B12R1.293 CCOC(CC#N)c1ccco1 b504e367568d16229441ef85afe6f6e2 [0,0,1,0,0,0|0,1,2]=4 124 B12R1.293 CCOC(CC#N)c1cccs1 9a0c237907891bf2f30211167173eaf3 [0,0,1,0,0,0|0,0,2]=3 125 B12R1.293 N#CCC(OCF)c1cccs1 0c68eff637578e955821eee6d57310e6 [0,0,1,0,0,0|1,0,2]=4 126 B12R1.293 OCCC(NCF)c1cccs1 261b47391dd7b8f084e9418b6a922581 [0,0,1,0,0,0|3,0,0]=4 127 B12R1.293 OCCC(NCO)c1cccs1 1d8c83c89770ee1cc9bc6eb33f166d4a [0,0,1,0,0,0|3,0,0]=4 128 B12R1.316 CCc1ccsc1N(C)CCO 9fc7ab42e90c6bbb70a6f132ed6777ca [0,0,1,0,0,0|3,0,0]=4 129 B14R2.458 CCCN1CCCc2ccsc2C1 a45a510dac67c164e3178c4a540e168b [0,0,0,0,0,1|3,0,0]=4 130 B14R2.458 FCCN1CCCc2ccsc2C1 f1630a1e33c7d45a15db747f001608e2 [0,0,0,0,0,1|3,0,0]=4 131 B14R2.458 OCCN1CCCc2ccsc2C1 a389fb469fc6791f93d037ee08e2e373 [0,0,0,0,0,1|3,0,0]=4 132 B14R2.458 SCCN1CCCc2ccsc2C1 5de1ba99e57025e797ce2f695a6b97e8 [0,0,0,0,0,1|3,0,0]=4 133 B11R1.4 BrCCNCCc1ccsc1 4a35244a235a700a7a92fb84da95642f [1,0,1,0,0,0|2,0,0]=4 134 B11R1.4 C#CCCOCc1ccsc1 9ac34e6923296163c4a908021c567d53 [1,0,1,0,0,0|1,0,1]=4 135 B11R1.4 C#CCOCCc1ccsc1 c32cf8b5de32baf525f2287eabac1b9c [1,0,1,0,0,0|0,0,2]=4 136 B11R1.4 C=CCCOCc1ccsc1 f050d77876a4aa3e7a195aeb98fca0dd [1,0,1,0,0,0|1,0,1]=4 137 B11R1.4 C=CCOCCc1ccsc1 8f61c4f174ceee9eeb20e66392b6f6f6 [1,0,1,0,0,0|0,0,2]=4 138 B11R1.4 CCCCCNc1ccsc1 de022f84aa76209e7bcaabaa38bac726 [1,0,1,0,0,0|2,0,0]=4 139 B11R1.4 CCCCCOc1ccsc1 dd49135ea18d372e9a057cf4e9f47384 [1,0,1,0,0,0|2,0,0]=4 140 B11R1.4 CCCCNCc1ccsc1 fad81054f84c8302ac588ac9e034d301 [1,0,1,0,0,0|2,0,0]=4 141 B11R1.4 CCCCOCc1cc[nH]c1 581bc78654672672d8839f84f1994efa [1,0,1,0,0,0|2,0,0]=4 142 B11R1.4 CCCCOCc1ccoc1 1cadfa682bb5a9af12fa0ba0bf74414e [1,0,1,0,0,0|1,1,0]=4 143 B11R1.4 CCCCOCc1ccsc1 758768cfe76022235190e084f876000a [1,0,1,0,0,0|1,0,0]=3 144 B11R1.4 CCCCOCc1ccsn1 fee5f2971e6cac7e22aaf3ff31f53bbd [1,0,1,0,0,0|2,0,0]=4 145 B11R1.4 CCCCOCc1cnsc1 d000b4e022676a505ae296dbd6346fd6 [1,0,1,0,0,0|2,0,0]=4 146 B11R1.4 CCCCOCc1cscn1 68e4eeea8b2c221b9ea78b8387e66ca6 [1,0,1,0,0,0|2,0,0]=4 147 B11R1.4 CCCNCCc1ccsc1 1536374e7579f3b5df16484c53bd352f [1,0,1,0,0,0|1,0,0]=3 148 B11R1.4 CCCNCCc1cscn1 29f669849f317b7ecbc34774cd24e763 [1,0,1,0,0,0|2,0,0]=4 149 B11R1.4 CCCOCCc1c[nH]cn1 b153bf5049d0a5387dd8550da7bcdec7 [1,0,1,0,0,0|2,0,0]=4 150 B11R1.4 CCCOCCc1cc[nH]n1 f066b154a85b290b852e9bfb94955164 [1,0,1,0,0,0|2,0,0]=4 151 B11R1.4 CCCOCCc1ccc[nH]1 5fef4db54b1b5d041886351ac954673a [1,0,1,0,0,0|2,0,0]=4 152 B11R1.4 CCCOCCc1ccco1 7e3a9046d4399a2533dc33c2e64d0238 [1,0,1,0,0,0|2,0,0]=4 153 B11R1.4 CCCOCCc1cccs1 3efc7159f8ad1bcf58697e9254fd54d1 [1,0,1,0,0,0|2,0,0]=4 154 B11R1.4 CCCOCCc1ccoc1 bc991c92cafa29c358102c9d241d422b [1,0,1,0,0,0|0,1,0]=3 155 B11R1.4 CCCOCCc1ccon1 fb90bcf3e81f1f8e1cf2ba4638065286 [1,0,1,0,0,0|1,1,0]=4 156 B11R1.4 CCCOCCc1ccsc1 93af440748e435ae9ef2283312b49f0a [1,0,1,0,0,0|0,0,0]=2 157 B11R1.4 CCCOCCc1cn[nH]c1 22ac4d3a04c1009471741cf3384aa0a7 [1,0,1,0,0,0|2,0,0]=4 158 B11R1.4 CCCOCCc1cnoc1 60467f6de168935cafd09eaf3314d840 [1,0,1,0,0,0|1,1,0]=4 159 B11R1.4 CCCOCCc1cscn1 eb46aaf56455d56b0b27aa516512be07 [1,0,1,0,0,0|1,0,0]=3 160 B11R1.4 CCCOCCn1cccc1 56ffc6bce88a3c31d83fbdbc55fd9a5b [1,0,1,0,0,0|2,0,0]=4 161 B11R1.4 CCCOCCn1ccnc1 e23cfd88768b3dcf8950aa1759914316 [1,0,1,0,0,0|2,0,0]=4 162 B11R1.4 CCOCCCc1ccsc1 c73cd67ea9cc8ae727db74d99d865074 [1,0,1,0,0,0|2,0,0]=4 163 B11R1.4 CCOCOCc1ccsc1 0b65207f8fd466ee44b0b843dde2cd0a [1,0,1,0,0,0|2,0,0]=4 164 B11R1.4 COCCOCc1ccsc1 8f6fab02b5ace309a7ff01c05375888c [1,0,1,0,0,0|2,0,0]=4 165 B11R1.4 COCNCCc1ccsc1 26515c6119bc9d848b06ede2a4bb45e5 [1,0,1,0,0,0|2,0,0]=4 166 B11R1.4 COCOCCc1ccoc1 51b3dd371af199ca604991f5cf3a72ce [1,0,1,0,0,0|1,1,0]=4 167 B11R1.4 COCOCCc1ccsc1 58e1b514e5363b59740ca9634d97ea6c [1,0,1,0,0,0|1,0,0]=3 168 B11R1.4 COCOCCc1cscn1 32aad87b43d535d694bc03e7078a2d6c [1,0,1,0,0,0|2,0,0]=4 169 B11R1.4 CSCCOCc1ccsc1 861aaddf20053ff3e3279bae84ce3a94 [1,0,1,0,0,0|2,0,0]=4 170 B11R1.4 CSCNCCc1ccsc1 108cbe713a53259557996461f775d07a [1,0,1,0,0,0|2,0,0]=4 171 B11R1.4 CSCOCCc1ccoc1 0c66f31bd56d8b072f17dd2757b61fa2 [1,0,1,0,0,0|1,1,0]=4 172 B11R1.4 CSCOCCc1ccsc1 50095dc198c6dc0f5dd2f7fb06a0b813 [1,0,1,0,0,0|1,0,0]=3 173 B11R1.4 CSCOCCc1cscn1 195966d4f536840856634de95de788ee [1,0,1,0,0,0|2,0,0]=4 174 B11R1.4 ClCCCCNc1ccsc1 5e59622f571d768b86af2240cee65364 [1,0,1,0,0,0|2,0,0]=4 175 B11R1.4 ClCCCNCc1ccsc1 a8486adc4bf73826c2ab1ff68a9c9b33 [1,0,1,0,0,0|2,0,0]=4 176 B11R1.4 FCCCCNc1ccsc1 190388be255589a76c0c42805309b035 [1,0,1,0,0,0|2,0,0]=4 177 B11R1.4 FCCCCOc1ccsc1 694031f572054149f8c6174bd3298b91 [1,0,1,0,0,0|2,0,0]=4 178 B11R1.4 FCCCNCc1ccsc1 0e667941d81b2c39210021d5612ef6f1 [1,0,1,0,0,0|2,0,0]=4 179 B11R1.4 FCCCOCc1cc[nH]c1 e41a875131265e995f4be0f3ee25202e [1,0,1,0,0,0|2,0,0]=4 180 B11R1.4 FCCCOCc1ccoc1 5a0d690f493bdb49f3af3b903502941a [1,0,1,0,0,0|1,1,0]=4 181 B11R1.4 FCCCOCc1ccsc1 efc33fc4d228e4142cdf14948c66e0ec [1,0,1,0,0,0|1,0,0]=3 182 B11R1.4 FCCCOCc1ccsn1 3327e9c7fde236537619b48a5c3d39da [1,0,1,0,0,0|2,0,0]=4 183 B11R1.4 FCCCOCc1cnsc1 cf2cb9031ee3d66f00305cd489267d45 [1,0,1,0,0,0|2,0,0]=4 184 B11R1.4 FCCCOCc1cscn1 b0b445903642dbfddcf11cde194c3f42 [1,0,1,0,0,0|2,0,0]=4 185 B11R1.4 FCCNCCc1ccsc1 aa3933d06339128561ef2b306ff9a7e9 [1,0,1,0,0,0|2,0,0]=4 186 B11R1.4 FCCOCCc1ccoc1 e73706a1be5772d6d3a0b68ab617c993 [1,0,1,0,0,0|1,1,0]=4 187 B11R1.4 FCCOCCc1ccsc1 d12d940e9620a9cdf1911b2a5fb4c4a2 [1,0,1,0,0,0|1,0,0]=3 188 B11R1.4 FCCOCCc1cscn1 a6c5ea155c25ff5357e165113da8889e [1,0,1,0,0,0|2,0,0]=4 189 B11R1.4 FCOCCCc1ccsc1 2323e903b4d1e0dac82ea6ccf588daf2 [1,0,1,0,0,0|2,0,0]=4 190 B11R1.4 ICCNCCc1ccsc1 93c7547c377eb8f2e9025f4ddb3c42e6 [1,0,1,0,0,0|2,0,0]=4 191 B11R1.4 N#CCCOCc1ccsc1 74732486eb6883b0d9e16efd1eaeaa91 [1,0,1,0,0,0|0,0,2]=4 192 B11R1.4 N#CCOCCc1ccsc1 e4984a1c5bfe6a14e0ef7de46c89e9fe [1,0,1,0,0,0|0,0,2]=4 193 B11R1.4 NOCCNCc1ccsc1 7adc6fb00b54f0b39f98607a413ecf84 [1,0,1,0,0,0|2,0,0]=4 194 B11R1.4 O=CCCOCc1ccsc1 18baf0fabdd54f09fe1100b72f818310 [1,0,1,0,0,0|1,0,1]=4 195 B11R1.4 O=CCOCCc1ccsc1 57f34ca4801419716e6f05453abc5263 [1,0,1,0,0,0|1,0,1]=4 196 B11R1.4 OCCCCNc1ccsc1 3ab3aa81764baf3c24010ab5b600fb55 [1,0,1,0,0,0|2,0,0]=4 197 B11R1.4 OCCCNCc1ccsc1 349fbd5eafa36beb8430bdc4b8b02903 [1,0,1,0,0,0|2,0,0]=4 198 B11R1.4 OCCNCCc1ccsc1 a65da01e99f833f056da0c38a50e94fa [1,0,1,0,0,0|2,0,0]=4 199 B11R1.4 SCCCCNc1ccsc1 bd62732610fcbeedf2443069e3c75c28 [1,0,1,0,0,0|2,0,0]=4 200 B11R1.4 SCCCNCc1ccsc1 b9e087670d631fa065603032f6a81957 [1,0,1,0,0,0|2,0,0]=4 201 B11R1.4 SCCCOCc1cc[nH]c1 98170f61c76b016abb7d5f43c6126d8d [1,0,1,0,0,0|2,0,0]=4 202 B11R1.4 SCCCOCc1ccoc1 6fa7c6662ec9123ef0150c1436bf84e6 [1,0,1,0,0,0|1,1,0]=4 203 B11R1.4 SCCCOCc1ccsc1 27409bb04c3340abc05d647c61a5bb27 [1,0,1,0,0,0|1,0,0]=3 204 B11R1.4 SCCCOCc1ccsn1 d56ea962e5cb377abf32b84486e9ed06 [1,0,1,0,0,0|2,0,0]=4 205 B11R1.4 SCCCOCc1cnsc1 af80487a10708158639cdb98debf4cc1 [1,0,1,0,0,0|2,0,0]=4 206 B11R1.4 SCCCOCc1cscn1 7878e08b72090f1ae364b0ad2e4ca7dd [1,0,1,0,0,0|2,0,0]=4 207 B11R1.4 SCCNCCc1ccsc1 1bc5fe907cb8887ead961e1960594c7b [1,0,1,0,0,0|2,0,0]=4 208 B11R1.4 SCCOCCc1ccoc1 69d2912519fcf54fad8da34c2819e5bd [1,0,1,0,0,0|1,1,0]=4 209 B11R1.4 SCCOCCc1ccsc1 3df72841d238242b7b23680e4f40e0d7 [1,0,1,0,0,0|1,0,0]=3 210 B11R1.4 SCCOCCc1cscn1 a80c0d699e4a54b47618fa1817f90870 [1,0,1,0,0,0|2,0,0]=4 211 B11R1.2 CCC(NCF)c1cccs1 fc4698c7aac184aebf4bdcad093cf19e [1,0,1,0,0,0|2,0,0]=4 212 B11R1.2 CCC(NCO)c1cccs1 c0b2ad0f9017bc65adc55d22020263b9 [1,0,1,0,0,0|2,0,0]=4 213 B11R1.2 CCC(OCF)c1ccco1 ac337bac6fb9bd0ac14ac4bc9f5cd638 [1,0,1,0,0,0|1,1,0]=4 214 B11R1.2 CCNC(CC)c1ccco1 d9957093663ca1628850ab1b41e745f2 [1,0,1,0,0,0|1,1,0]=4 215 B11R1.2 CCNC(CC)c1cccs1 779e2ee9b925f47b48ecbceb1e2abe88 [1,0,1,0,0,0|1,0,0]=3 216 B11R1.2 CCOC(CC)c1ccco1 366fc859f101fd1b46dbaf490df0422e [1,0,1,0,0,0|0,1,0]=3 217 B11R1.199 Cc1ccsc1N(C)CCO 21ef0ddfeb73ed2dad9a6da99934ac47 [1,0,1,0,0,0|2,0,0]=4 218 B11R1.18 CCCNc1sccc1CC 3e298c8dda0d4da51cd705fb50c3fa09 [1,0,1,0,0,0|2,0,0]=4 219 B11R1.18 CCCNc1sccc1CO f8611ae46a8754422a89671673b7e76a [1,0,1,0,0,0|2,0,0]=4 220 B11R1.18 CCc1ccsc1NCCBr 6aa3da9bb91886550fd4ba5b92a0334f [1,0,1,0,0,0|2,0,0]=4 221 B11R1.18 CCc1ccsc1NCCF ec5fd41cdc1a0ed1672139e91ce94176 [1,0,1,0,0,0|2,0,0]=4 222 B11R1.18 CCc1ccsc1NCCI 6c628469c9dc5f6bb5f421b61f831d5c [1,0,1,0,0,0|2,0,0]=4 223 B11R1.18 CCc1ccsc1NCCO 54ed3c59e5f3a1819d311127c865eb8a [1,0,1,0,0,0|2,0,0]=4 224 B11R1.18 CCc1ccsc1NCCS c9776800cd888f573f07f8256bf57bc1 [1,0,1,0,0,0|2,0,0]=4 225 B11R1.18 OCCNc1sccc1CO fdd1e50825620da5b9678f4096f0fd95 [1,0,1,0,0,0|2,0,0]=4 226 B11R1.18 OCc1ccsc1NCCI f662804eb341059859afbfe177239cd3 [1,0,1,0,0,0|2,0,0]=4 227 B11R1.18 OCc1ccsc1NCCS 6866fa5c61fa83761533709f5150d048 [1,0,1,0,0,0|2,0,0]=4 228 B13R1.27 C#CCCOCCc1csc(c1)Cl 9053303c3e0101ab1da0871523d107c8 [0,1,1,0,0,0|1,0,1]=4 229 B13R1.27 C=CCCOCCc1csc(c1)Cl 4914b2834f6ffe96ca15874d88af995a [0,1,1,0,0,0|1,0,1]=4 230 B13R1.27 CCCCOCCc1csc(c1)Cl 43448c5e9d9ff9b92ba8538c7fcfeee8 [0,1,1,0,0,0|1,0,0]=3 231 B13R1.27 CCCCOCCc1csc(n1)Br 8904bf5f91f2d6c84cd3aa1cecb76c07 [0,1,1,0,0,0|2,0,0]=4 232 B13R1.27 CCCCOCCc1csc(n1)C 12b2a27dece36c5e5d826ff660c4bd30 [0,1,1,0,0,0|2,0,0]=4 233 B13R1.27 CCOCOCCc1csc(c1)Cl a45ffb320bbfd5b65c8532fa72901814 [0,1,1,0,0,0|2,0,0]=4 234 B13R1.27 COCCOCCc1csc(c1)Cl b1da63f39d3aadb3c9a6029adb75b9b3 [0,1,1,0,0,0|2,0,0]=4 235 B13R1.27 CSCCOCCc1csc(c1)Cl c994f40d0d6aead22d0236563500d10d [0,1,1,0,0,0|2,0,0]=4 236 B13R1.27 Cc1nc(cs1)CCOCCCF 27c2196d624a16738b5914b6daada63e [0,1,1,0,0,0|2,0,0]=4 237 B13R1.27 Cc1nc(cs1)CCOCCCS 0e02873482af202b4d57f7985cdd0c04 [0,1,1,0,0,0|2,0,0]=4 238 B13R1.27 FCCCOCCc1csc(c1)Cl bb77c01004756a4021393c01ac21d591 [0,1,1,0,0,0|1,0,0]=3 239 B13R1.27 FCCCOCCc1csc(n1)Br 987e5ed6c571c7b41f7544d0aaf45765 [0,1,1,0,0,0|2,0,0]=4 240 B13R1.27 N#CCCOCCc1csc(c1)Cl 743c974da07160b980153f3c892b999c [0,1,1,0,0,0|0,0,2]=4 241 B13R1.27 O=CCCOCCc1csc(c1)Cl 86eb3ca64a0caa4f682be67eef47fdaa [0,1,1,0,0,0|1,0,1]=4 242 B13R1.27 SCCCOCCc1csc(c1)Cl 5ba559a5dd3f7b87f555898ca73db919 [0,1,1,0,0,0|1,0,0]=3 243 B13R1.27 SCCCOCCc1csc(n1)Br ac0c58891ed29d0fbfa916af55fd4901 [0,1,1,0,0,0|2,0,0]=4 244 B13R1.48 CCCCOCC(=O)c1ccsc1 e606959b4313281c0d87577da5cb801c [0,1,1,0,0,0|1,0,1]=4 245 B13R1.48 CCCCOCN(C)c1ccsc1 c1372ba742f42273c0b9b38997e93a00 [0,1,1,0,0,0|2,0,0]=4 246 B13R1.48 O=C(COCCCF)c1ccsc1 c2d63df10f008cdfbabe861596ce34f1 [0,1,1,0,0,0|1,0,1]=4 247 B13R1.48 O=C(COCCCS)c1ccsc1 8844c914754cf8b2847d43075886f307 [0,1,1,0,0,0|1,0,1]=4 248 B13R1.119 C#CCCCNCCc1ccsc1 6d55311e8f04f4cbe6014b68243c808c [0,1,1,0,0,0|2,0,0]=4 249 B13R1.119 C#CCCCOCCc1ccoc1 9242125133b204c54275f6ec7a9df438 [0,1,1,0,0,0|1,1,0]=4 250 B13R1.119 C#CCCCOCCc1ccsc1 daa14ec8d66f0273dc17ee487b204bbc [0,1,1,0,0,0|1,0,0]=3 251 B13R1.119 C#CCCCOCCc1cscn1 d60735420e1a7a91e698adce4b4b8ed4 [0,1,1,0,0,0|2,0,0]=4 252 B13R1.119 C#CCCOCCCc1ccsc1 5515359de13db0245594d763e462308e [0,1,1,0,0,0|1,0,1]=4 253 B13R1.119 C/C=C/CCOCCc1ccsc1 35e941db47f41364a3f0aa32b5f9abbe [0,1,1,0,0,0|1,0,1]=4 254 B13R1.119 C=C=CCCOCCc1ccsc1 873680e6acf92961a8bf4d7f2bb4baab [0,1,1,0,0,0|1,0,1]=4 255 B13R1.119 C=CCCCNCCc1ccsc1 6bbbc57d18760277fb90b657ee29ec72 [0,1,1,0,0,0|2,0,0]=4 256 B13R1.119 C=CCCCOCCc1ccoc1 e6e062224fafe2d6bb21c2e7b8405136 [0,1,1,0,0,0|1,1,0]=4 257 B13R1.119 C=CCCCOCCc1ccsc1 3ad573f0394ae05472d620fc0df5b98b [0,1,1,0,0,0|1,0,0]=3 258 B13R1.119 C=CCCCOCCc1cscn1 3eb61eaca1cd5fb179e353e0c362b867 [0,1,1,0,0,0|2,0,0]=4 259 B13R1.119 C=CCCOCCCc1ccsc1 5146cc575b94ed1c3ef75253b68d4aff [0,1,1,0,0,0|1,0,1]=4 260 B13R1.119 C=COCCOCCc1ccsc1 9e948e9aabb0cb85e87f88746d6120be [0,1,1,0,0,0|1,0,1]=4 261 B13R1.119 CC#CCCOCCc1ccsc1 510ba16764cb705c059c15e9af7276fe [0,1,1,0,0,0|1,0,1]=4 262 B13R1.119 CC/C=C/COCCc1ccsc1 94f38e6830966b1bda3f9a29d554f9bd [0,1,1,0,0,0|1,0,1]=4 263 B13R1.119 CC/C=C\COCCc1ccsc1 e3bded3eba0719dd6c0324321b9dca26 [0,1,1,0,0,0|1,0,1]=4 264 B13R1.119 CCC#CCOCCc1ccsc1 b37f274a30531051150d1029cfd6a3b2 [0,1,1,0,0,0|1,0,1]=4 265 B13R1.119 CCCCCCCNc1ccsc1 ca95150621e6d9ab1085806d3e3ea348 [0,1,1,0,0,0|2,0,0]=4 266 B13R1.119 CCCCCCCOc1ccsc1 79a98624b3213325b8684e167b63400b [0,1,1,0,0,0|2,0,0]=4 267 B13R1.119 CCCCCCNCc1ccsc1 db76eafbddc8a7eed92c6379b0aa8290 [0,1,1,0,0,0|2,0,0]=4 268 B13R1.119 CCCCCCOCc1ccsc1 044eb8da84def5498d84d675189c8d85 [0,1,1,0,0,0|2,0,0]=4 269 B13R1.119 CCCCCNCCc1ccsc1 ef358b507733e3fdafa5f927ef7d35ba [0,1,1,0,0,0|2,0,0]=4 270 B13R1.119 CCCCCOCCc1ccoc1 8c5bf8113bcdac844260455866fc8788 [0,1,1,0,0,0|1,1,0]=4 271 B13R1.119 CCCCCOCCc1ccsc1 6985c0a285af3fd06e142804d2bffa6e [0,1,1,0,0,0|1,0,0]=3 272 B13R1.119 CCCCCOCCc1cscn1 99bbd174f122ea98c4d77273ace23f18 [0,1,1,0,0,0|2,0,0]=4 273 B13R1.119 CCCCNCCCc1ccsc1 777a0daf92d6a08bfb71e55b5ac5c449 [0,1,1,0,0,0|2,0,0]=4 274 B13R1.119 CCCCOCCCc1ccsc1 69b5d83e7b4fa4e0fce91e081e6e5f24 [0,1,1,0,0,0|1,0,0]=3 275 B13R1.119 CCCCOCCNc1ccoc1 1c5cec3949fb41f1734cc8ea160eb375 [0,1,1,0,0,0|1,1,0]=4 276 B13R1.119 CCCCOCCNc1ccsc1 097c43d452e29eece2ef544af09f99df [0,1,1,0,0,0|1,0,0]=3 277 B13R1.119 CCCCOCCNc1ccsn1 32f0e62aacf5c23cf6b0f92abe24d112 [0,1,1,0,0,0|2,0,0]=4 278 B13R1.119 CCCCOCCNc1cnsc1 dbafd6a6221799518b5beecfb54beca9 [0,1,1,0,0,0|2,0,0]=4 279 B13R1.119 CCCCOCCNc1cscn1 07aa331b284613bee56b1184fdfd476e [0,1,1,0,0,0|2,0,0]=4 280 B13R1.119 CCCCOCCOc1ccsc1 da72939023956efda79ce2ff3c9d291f [0,1,1,0,0,0|1,0,0]=3 281 B13R1.119 CCCCOCNCc1cc[nH]c1 abb5c7d522c81a8026dcad4e56922a67 [0,1,1,0,0,0|2,0,0]=4 282 B13R1.119 CCCCOCNCc1ccoc1 583c25dfa944ca23066f858057a2d1b2 [0,1,1,0,0,0|1,1,0]=4 283 B13R1.119 CCCCOCNCc1ccsc1 00ebebec109faed036f9a46d2d80c08e [0,1,1,0,0,0|1,0,0]=3 284 B13R1.119 CCCCOCNCc1ccsn1 a08423b81a8965dd1fa9446dcb714dde [0,1,1,0,0,0|2,0,0]=4 285 B13R1.119 CCCCOCNCc1cnsc1 b8de99a9e485bb87cefd526b0e8f1505 [0,1,1,0,0,0|2,0,0]=4 286 B13R1.119 CCCCOCNCc1cscn1 5ef72fe61ccc37cc3384f5e8a1f8f302 [0,1,1,0,0,0|2,0,0]=4 287 B13R1.119 CCCCOCOCc1cc[nH]c1 e4fa4105f88d488cbaf358f262c44e8a [0,1,1,0,0,0|2,0,0]=4 288 B13R1.119 CCCCOCOCc1ccsc1 adb47a4aea735a86d1473a1cdc8f339a [0,1,1,0,0,0|1,0,0]=3 289 B13R1.119 CCCCOCOCc1ccsn1 e809289129caedd832cfc0506c590b18 [0,1,1,0,0,0|2,0,0]=4 290 B13R1.119 CCCCOCOCc1cnsc1 32cf3e75cddbe35747c251554df6c9a4 [0,1,1,0,0,0|2,0,0]=4 291 B13R1.119 CCCCOCOCc1cscn1 75454dcf21fccb4f307fa1887242925c [0,1,1,0,0,0|2,0,0]=4 292 B13R1.119 CCOCCNCCc1ccsc1 c48044b156261377690a89328c76e137 [0,1,1,0,0,0|2,0,0]=4 293 B13R1.119 CCOCCOCCc1ccoc1 9f3dfc5b4f134e2e2f6a63cd2c4351aa [0,1,1,0,0,0|1,1,0]=4 294 B13R1.119 CCOCCOCCc1ccsc1 99cf9f781201752ff7091607f75e5f71 [0,1,1,0,0,0|1,0,0]=3 295 B13R1.119 CCOCCOCCc1cscn1 f2e271c5f2e5743e8983dfade818492f [0,1,1,0,0,0|2,0,0]=4 296 B13R1.119 CCOCOCCCc1ccsc1 2d23b34fbf814d156e1ffc1766cf3cc0 [0,1,1,0,0,0|2,0,0]=4 297 B13R1.119 CCSCCNCCc1ccsc1 b8563cc916092b28dc41c107864ad872 [0,1,1,0,0,0|2,0,0]=4 298 B13R1.119 CCSCCOCCc1ccsc1 78593333d2c3e8af1b953aac52883426 [0,1,1,0,0,0|1,0,0]=3 299 B13R1.119 CCSCCOCCc1cscn1 0525897bd2e559087cd055f47efb7c05 [0,1,1,0,0,0|2,0,0]=4 300 B13R1.119 COCCCNCCc1ccsc1 fe3c936874604b918dee33aa2ed1cb81 [0,1,1,0,0,0|2,0,0]=4 301 B13R1.119 COCCCOCCc1ccoc1 20c6427ffd6bc8c3f161c2519c83a0bb [0,1,1,0,0,0|1,1,0]=4 302 B13R1.119 COCCCOCCc1ccsc1 ee100d63b3c8271cb5152eb7d9eefbd2 [0,1,1,0,0,0|1,0,0]=3 303 B13R1.119 COCCCOCCc1cscn1 76449641e25029189b3560e679bbfe0b [0,1,1,0,0,0|2,0,0]=4 304 B13R1.119 COCCOCCCc1ccsc1 f50acf7d896aed61f418e2b9103644a8 [0,1,1,0,0,0|2,0,0]=4 305 B13R1.119 COCCOCCNc1ccsc1 b215be902c25f4166be2a0edce0526f8 [0,1,1,0,0,0|2,0,0]=4 306 B13R1.119 COCCOCCOc1ccsc1 d10133b0ee7624bd5f522b4e100e6187 [0,1,1,0,0,0|2,0,0]=4 307 B13R1.119 COCCOCNCc1ccsc1 8e0cab188db7d139a7269c1de773bfe9 [0,1,1,0,0,0|2,0,0]=4 308 B13R1.119 COCCOCOCc1ccsc1 e0d899a4bbe4b5c5d6d4484fbc3e6ba7 [0,1,1,0,0,0|2,0,0]=4 309 B13R1.119 CSCCCNCCc1ccsc1 e54273cb99df3cdf3c2739c67715cb88 [0,1,1,0,0,0|2,0,0]=4 310 B13R1.119 CSCCCOCCc1ccoc1 edfb36ede71e56c0d654ad8890179345 [0,1,1,0,0,0|1,1,0]=4 311 B13R1.119 CSCCCOCCc1ccsc1 0810822b0b64f35c4a6d99299a79953a [0,1,1,0,0,0|1,0,0]=3 312 B13R1.119 CSCCCOCCc1cscn1 7737590a462394d74e9f2e8b607da91e [0,1,1,0,0,0|2,0,0]=4 313 B13R1.119 CSCCOCCCc1ccsc1 23f39203cf305171f204502acc5f1497 [0,1,1,0,0,0|2,0,0]=4 314 B13R1.119 ClCCCCCCNc1ccsc1 c128d1b57c56d5a0b186913434385250 [0,1,1,0,0,0|2,0,0]=4 315 B13R1.119 ClCCCCCNCc1ccsc1 81059faefc4e21030e3b2b6311cdc7d7 [0,1,1,0,0,0|2,0,0]=4 316 B13R1.119 ClCCCCNCCc1ccsc1 6b8407c2aa19a803e163eda5d02a7a3e [0,1,1,0,0,0|2,0,0]=4 317 B13R1.119 ClCCCNCCCc1ccsc1 57d9fd182c1bf6e91eb4c872fbbe9e15 [0,1,1,0,0,0|2,0,0]=4 318 B13R1.119 FCCCCCCNc1ccsc1 68496642d32d27981b91928f32cfc35f [0,1,1,0,0,0|2,0,0]=4 319 B13R1.119 FCCCCCCOc1ccsc1 3fbadb7d3f1127ea063add0f082a1e26 [0,1,1,0,0,0|2,0,0]=4 320 B13R1.119 FCCCCCNCc1ccsc1 afcb99c4fd9c08ebfdc3fa590a6258e0 [0,1,1,0,0,0|2,0,0]=4 321 B13R1.119 FCCCCCOCc1ccsc1 88d6b07831e2d91cd6698367b2384f5f [0,1,1,0,0,0|2,0,0]=4 322 B13R1.119 FCCCCNCCc1ccsc1 760c33078a9c2f28385baabdaaa59c57 [0,1,1,0,0,0|2,0,0]=4 323 B13R1.119 FCCCCOCCc1ccoc1 8d31d3daaff567d85414d09fc5732283 [0,1,1,0,0,0|1,1,0]=4 324 B13R1.119 FCCCCOCCc1ccsc1 ffd28217a74295c0a9540f245bb95e17 [0,1,1,0,0,0|1,0,0]=3 325 B13R1.119 FCCCCOCCc1cscn1 f090ac108e348bd27f8f2cdd5d5c149e [0,1,1,0,0,0|2,0,0]=4 326 B13R1.119 FCCCOCCCc1ccsc1 8749c2b4e653d46248f70cc74b4c2d83 [0,1,1,0,0,0|1,0,0]=3 327 B13R1.119 N#CCCCNCCc1ccsc1 e8de8b151f8955f3a3de444a63ec45ff [0,1,1,0,0,0|1,0,1]=4 328 B13R1.119 N#CCCCOCCc1ccoc1 84b33fc6ba06e98c9db3a03ca31e2314 [0,1,1,0,0,0|0,1,1]=4 329 B13R1.119 N#CCCCOCCc1ccsc1 e715c0c33667da39a68b62f567f0b896 [0,1,1,0,0,0|0,0,1]=3 330 B13R1.119 N#CCCCOCCc1cscn1 67a07d911f146a8a30390f6328968804 [0,1,1,0,0,0|1,0,1]=4 331 B13R1.119 N#CCCOCCCc1ccsc1 06a2eb111a0f3dae96d7dd166a26a192 [0,1,1,0,0,0|0,0,2]=4 332 B13R1.119 NOCCCCNCc1ccsc1 b84731e72230b8a10f5b7d445e6e2bda [0,1,1,0,0,0|2,0,0]=4 333 B13R1.119 NOCCNCCCc1ccsc1 cf2f63a0b867ab1f8bab2c7df0c8e189 [0,1,1,0,0,0|2,0,0]=4 334 B13R1.119 NOCCOCCNc1ccoc1 4b9aa518408a3801c6d5fdfb99ae31ca [0,1,1,0,0,0|1,1,0]=4 335 B13R1.119 NOCCOCCNc1ccsc1 894352dd992e1622ab61ca2115fda859 [0,1,1,0,0,0|1,0,0]=3 336 B13R1.119 NOCCOCCNc1ccsn1 33ed93f5c93af9340a2cd7769a7fc602 [0,1,1,0,0,0|2,0,0]=4 337 B13R1.119 NOCCOCCNc1cnsc1 677fef6ac9624a0026cf80853c9d9eff [0,1,1,0,0,0|2,0,0]=4 338 B13R1.119 NOCCOCCNc1cscn1 380f8f16f95607d3e4a9dd3bbe0faa16 [0,1,1,0,0,0|2,0,0]=4 339 B13R1.119 O=CCCCNCCc1ccsc1 2eec4b1bb311bbb14bdb2eb61456fe55 [0,1,1,0,0,0|2,0,0]=4 340 B13R1.119 O=CCCCOCCc1ccoc1 7942d20f9b8fe3e1ceb33aa1cc4a31c4 [0,1,1,0,0,0|1,1,0]=4 341 B13R1.119 O=CCCCOCCc1ccsc1 c9ebcafb6b8f4249ecc8f89fdbcb9dca [0,1,1,0,0,0|1,0,0]=3 342 B13R1.119 O=CCCCOCCc1cscn1 181386098c615d8c8317b762a980ac59 [0,1,1,0,0,0|2,0,0]=4 343 B13R1.119 O=CCCOCCCc1ccsc1 34e4899bdc8e585b85d1ae6dd4bbac92 [0,1,1,0,0,0|1,0,1]=4 344 B13R1.119 O=CNCCOCCc1ccsc1 a838de05e969527be28cec812d28f0f2 [0,1,1,0,0,0|1,0,1]=4 345 B13R1.119 O=COCCOCCc1ccsc1 ebfb60579f961b2b4d241dda9e12f685 [0,1,1,0,0,0|1,0,1]=4 346 B13R1.119 OCCCCCCNc1ccsc1 e335c8c10fa050fc4a410c434fca1071 [0,1,1,0,0,0|2,0,0]=4 347 B13R1.119 OCCCCCNCc1ccsc1 2eb18f786fa1a282fe2128911255960e [0,1,1,0,0,0|2,0,0]=4 348 B13R1.119 OCCCCNCCc1ccsc1 907643e7121813e9502fb39b6e35ebd9 [0,1,1,0,0,0|2,0,0]=4 349 B13R1.119 OCCCNCCCc1ccsc1 84bdfca5180d1673e6c0b11a02f591e3 [0,1,1,0,0,0|2,0,0]=4 350 B13R1.119 OCCCOCCNc1ccoc1 663f9ba772cb81cd97d2a2e925b4f551 [0,1,1,0,0,0|1,1,0]=4 351 B13R1.119 OCCCOCCNc1ccsc1 5cc5158f6304b1daa0ec7feaf28dcd2c [0,1,1,0,0,0|1,0,0]=3 352 B13R1.119 OCCCOCCNc1ccsn1 7832ec09111fe54e02bf13994423559b [0,1,1,0,0,0|2,0,0]=4 353 B13R1.119 OCCCOCCNc1cnsc1 692061dc2b042955e1d20b2c24b66906 [0,1,1,0,0,0|2,0,0]=4 354 B13R1.119 OCCCOCCNc1cscn1 52a3141c838cc64de0e070e1f54898da [0,1,1,0,0,0|2,0,0]=4 355 B13R1.119 SCCCCNCCc1ccsc1 43417b5fafdfee27e9999c9a731d394e [0,1,1,0,0,0|2,0,0]=4 356 B13R1.119 SCCCCOCCc1ccsc1 e8c3b5a43fc7e8f4253c126d4dc0bc42 [0,1,1,0,0,0|1,0,0]=3 357 B13R1.119 SCCCCOCCc1cscn1 c938feb239a12bb0925f7c367d190a42 [0,1,1,0,0,0|2,0,0]=4 358 B13R1.119 SCCCOCCCc1ccsc1 ebd89a9a5661bcc92d55d1bad7ad058c [0,1,1,0,0,0|1,0,0]=3 359 B13R1.153 CCCCN(C)CCc1ccsc1 05c63180f52bc0d97423bc1f9187fb4b [0,1,1,0,0,0|2,0,0]=4 360 B13R1.153 CN(CCCO)CCc1ccsc1 58569de3ac19f71cd6e2f1d79221a759 [0,1,1,0,0,0|2,0,0]=4 361 B13R1.153 CN(CCON)CCc1ccsc1 bcd19f324da9961be50da67ea82c7049 [0,1,1,0,0,0|2,0,0]=4 362 B13R1.156 C#CCCOC(C)Cc1ccsc1 8b262555b37c76bc16caa7ed484a7694 [0,1,1,0,0,0|1,0,1]=4 363 B13R1.156 C=CCCOC(C)Cc1ccsc1 2eb0244c59d714ffed5d719c13f97298 [0,1,1,0,0,0|1,0,1]=4 364 B13R1.156 CC(Cc1ccsc1)NCCCF 9d4318f67e8c60d08d0585d65c1d35db [0,1,1,0,0,0|2,0,0]=4 365 B13R1.156 CC(Cc1ccsc1)NCCCO 50f02503d719d85cf1643ea4253d7430 [0,1,1,0,0,0|2,0,0]=4 366 B13R1.156 CC(Cc1ccsc1)NCCCS c1606012cadb46effb6831c2b6b2399f [0,1,1,0,0,0|2,0,0]=4 367 B13R1.156 CC(Cc1ccsc1)OCCC#N b5d662dc2a6b41e391680ea4dace2965 [0,1,1,0,0,0|0,0,2]=4 368 B13R1.156 CC(Cc1ccsc1)OCCC=O c2a4ae27e3b65be121d7bc481cc4f9a5 [0,1,1,0,0,0|1,0,1]=4 369 B13R1.156 CC(Cc1ccsc1)OCCCF bd13d00ef6bd7cad3b5b201624ae0c5f [0,1,1,0,0,0|1,0,0]=3 370 B13R1.156 CC(Cc1ccsc1)OCCCS 610ac829ad25c380ada937480347bb1b [0,1,1,0,0,0|1,0,0]=3 371 B13R1.156 CCCCNC(C)Cc1ccsc1 44d37ce7747874cac7f10aac58c5436b [0,1,1,0,0,0|2,0,0]=4 372 B13R1.156 CCCCOC(C)Cc1ccsc1 d3c92fc901354458f294e91191352408 [0,1,1,0,0,0|1,0,0]=3 373 B13R1.156 CCOCOC(C)Cc1ccsc1 3dcbe9284335036f7bb3d21c555250c1 [0,1,1,0,0,0|2,0,0]=4 374 B13R1.156 COCCOC(C)Cc1ccsc1 c956a973bb10ab7a17ef9fc7e19309a9 [0,1,1,0,0,0|2,0,0]=4 375 B13R1.156 CSCCOC(C)Cc1ccsc1 8bd20eb9513da72ad82fd0bf8a1f7d16 [0,1,1,0,0,0|2,0,0]=4 376 B13R1.343 C=C(Br)CCOCCc1ccsc1 aca83259e6075eb7ac22721669baff7f [0,1,1,0,0,0|1,0,1]=4 377 B13R1.343 C=C(C)CCOCCc1ccsc1 e8e63979fc3c5916b2784575dc5da6a4 [0,1,1,0,0,0|1,0,1]=4 378 B13R1.343 CC(=O)CCOCCc1ccsc1 c845d3835c792ca9009dbee68a116e8c [0,1,1,0,0,0|1,0,1]=4 379 B13R1.343 CC(C)CCNCCc1ccsc1 4faf87f92afbbab486314e62aedec849 [0,1,1,0,0,0|2,0,0]=4 380 B13R1.343 CC(C)CCOCCc1ccoc1 fdf888a83f8a61a3b9391e935c6c6230 [0,1,1,0,0,0|1,1,0]=4 381 B13R1.343 CC(C)CCOCCc1ccsc1 7d377604837625dd1c52987ddf69dd0f [0,1,1,0,0,0|1,0,0]=3 382 B13R1.343 CC(C)CCOCCc1cscn1 d6305aaf9ee4a25d8d8d5983e42c2934 [0,1,1,0,0,0|2,0,0]=4 383 B13R1.343 CC(C)OCOCCc1ccsc1 7b16bb6f0ecc2a81a0909cd943444b70 [0,1,1,0,0,0|2,0,0]=4 384 B13R1.343 CC(O)CCNCCc1ccsc1 6d05e5bc4f0996399e11e3a5c3c738c8 [0,1,1,0,0,0|2,0,0]=4 385 B13R1.343 CN(C)CCOCCc1ccsc1 7000e7af33e0e6d87d43578bba76473a [0,1,1,0,0,0|2,0,0]=4 386 B13R1.343 CS(=O)CCOCCc1ccsc1 0155cfb6d9772822c3a0c13256c68d72 [0,1,1,0,0,0|2,0,0]=4 387 B13R1.343 C[C@@H](O)CCNCCc1ccsc1 03e4bb2ebb0ff478d12e04748bb5ac82 [0,1,1,0,0,0|2,0,0]=4 388 B13R1.343 C[C@H](O)CCNCCc1ccsc1 bdc492628fd202fc6668e4846332e902 [0,1,1,0,0,0|2,0,0]=4 389 B13R1.343 FC(F)CCNCCc1ccsc1 885c049e232f63b97972eb449dabba62 [0,1,1,0,0,0|2,0,0]=4 390 B13R1.343 FC(F)CCOCCc1ccsc1 9465b8a14667d9a9c033e1298725d76d [0,1,1,0,0,0|1,0,0]=3 391 B13R1.343 FC(F)CCOCCc1cscn1 41ad8a9c5696e6f25b28ed2f87df6dfe [0,1,1,0,0,0|2,0,0]=4 392 B13R1.343 NC(=O)CCNCCc1ccsc1 89ca1d312718212f103760f2137fc4c8 [0,1,1,0,0,0|1,0,1]=4 393 B13R1.343 NC(=O)CCOCCc1ccoc1 143d9553829fe127e918409fe8b8b206 [0,1,1,0,0,0|0,1,1]=4 394 B13R1.343 NC(=O)CCOCCc1ccsc1 27639a9f208032daef59d4b343fad541 [0,1,1,0,0,0|0,0,1]=3 395 B13R1.343 NC(=O)CCOCCc1cscn1 c49ecf89cb47637aa09223830dcab9a0 [0,1,1,0,0,0|1,0,1]=4 396 B13R1.343 NC(=O)NCOCCc1ccsc1 d5ba224190666819a25e4a5ce98728dd [0,1,1,0,0,0|1,0,1]=4 397 B13R1.343 NC(=O)SCOCCc1ccsc1 6e31e424e821b10e01b7a4a06e85c013 [0,1,1,0,0,0|1,0,1]=4 398 B13R1.343 NC(=S)CCNCCc1ccsc1 2ccf599fe28c53d10b60b3d1d2deb312 [0,1,1,0,0,0|1,0,1]=4 399 B13R1.343 O=C(O)CCOCCc1ccsc1 411bbb49ea88d2213cd57de8519c5f24 [0,1,1,0,0,0|1,0,1]=4 400 B13R1.343 O=[N+]([O-])CCOCCc1ccsc1 c97f808ce20ee4c52bc6bd7df44b37cf [0,1,1,0,0,0|2,0,0]=4 401 B13R1.404 C#CCC(C)OCCc1ccsc1 465a0333038dca9bfad7cc2d468ea9ca [0,1,1,0,0,0|1,0,1]=4 402 B13R1.404 C=CCC(C)OCCc1ccsc1 243d07c48e51936b3964da8be120b512 [0,1,1,0,0,0|1,0,1]=4 403 B13R1.404 C=CC[C@@H](C)OCCc1ccsc1 363dfbf1d8ef21c9f146dbdb692d1691 [0,1,1,0,0,0|1,0,1]=4 404 B13R1.404 C=CC[C@H](C)OCCc1ccsc1 55a5cb15fb8952db0333765f464d56c8 [0,1,1,0,0,0|1,0,1]=4 405 B13R1.404 CC(CC#N)OCCc1ccsc1 e318de4f5348468cd55df6beed00ecaa [0,1,1,0,0,0|0,0,2]=4 406 B13R1.404 CC(CCO)NCCc1ccsc1 d373f8cee7a44c96b0fac9e6e880cec4 [0,1,1,0,0,0|2,0,0]=4 407 B13R1.404 CCCC(=S)OCCc1ccsc1 954dfdb8b4cdd297856b4ae586153229 [0,1,1,0,0,0|1,0,1]=4 408 B13R1.404 CCCC(C)NCCc1ccsc1 d8176155af7359ee3cbe3f0cf4353381 [0,1,1,0,0,0|2,0,0]=4 409 B13R1.404 CCCC(C)OCCc1ccsc1 861bdfbc9b98f632147ed288f1b8c018 [0,1,1,0,0,0|1,0,0]=3 410 B13R1.404 CCCC(C)OCCc1cscn1 65a2500d76f3f432721110e28c08de60 [0,1,1,0,0,0|2,0,0]=4 411 B13R1.404 CCC[C@@H](C)OCCc1ccsc1 4ded285345413183cf3927f452a32a76 [0,1,1,0,0,0|1,0,0]=3 412 B13R1.404 CCC[C@@H](C)OCCc1cscn1 c07ccc790ea5c6560d7296ce261f630d [0,1,1,0,0,0|2,0,0]=4 413 B13R1.404 CCC[C@H](C)NCCc1ccsc1 d349626372eee63ce89fcffeee1698b1 [0,1,1,0,0,0|2,0,0]=4 414 B13R1.404 CCC[C@H](C)OCCc1ccsc1 51eb45a11fcf9263b7efaadc7288a8f6 [0,1,1,0,0,0|1,0,0]=3 415 B13R1.404 CCC[C@H](C)OCCc1cscn1 fa3ab61776febf286d4fa1c715e19416 [0,1,1,0,0,0|2,0,0]=4 416 B13R1.404 COCC(C)OCCc1ccsc1 9ef77b1b45f3acf36659a40072bedc64 [0,1,1,0,0,0|2,0,0]=4 417 B13R1.404 COC[C@@H](C)OCCc1ccsc1 d2d273afcea0855d3f2c03d652297c88 [0,1,1,0,0,0|2,0,0]=4 418 B13R1.404 COC[C@H](C)OCCc1ccsc1 cd7f74eb8247cb531716db42e34f7d77 [0,1,1,0,0,0|2,0,0]=4 419 B13R1.404 CSCC(C)OCCc1ccsc1 c597fdc54f6c325fede22ba8941e42b0 [0,1,1,0,0,0|2,0,0]=4 420 B13R1.404 C[C@@H](CC#N)OCCc1ccsc1 0c130b42b59ebf16b086d8bcca1a0006 [0,1,1,0,0,0|0,0,2]=4 421 B13R1.404 C[C@@H](CCO)NCCc1ccsc1 06b40bd5e0587149b2592674b5f35e05 [0,1,1,0,0,0|2,0,0]=4 422 B13R1.404 C[C@H](CC#N)OCCc1ccsc1 28e62c3d4a538ef24c7ebacc85403502 [0,1,1,0,0,0|0,0,2]=4 423 B13R1.404 C[C@H](CCO)NCCc1ccsc1 2ceba750af1bd32dc9edbdf8b0d0a45e [0,1,1,0,0,0|2,0,0]=4 424 B13R1.536 BrCC(Br)CNCCc1ccsc1 9a932ef0f57f5cc7b0da511745bf6f73 [0,1,1,0,0,0|2,0,0]=4 425 B13R1.536 BrCC(Br)COCCc1ccsc1 7640c1adf453c49b6d15496284880743 [0,1,1,0,0,0|1,0,0]=3 426 B13R1.536 BrCC(Br)COCCc1cscn1 e46c22611a0d104f0c2fd79ec054b4c9 [0,1,1,0,0,0|2,0,0]=4 427 B13R1.536 C=C(CC)COCCc1ccsc1 7417591951099a5f7559feb7df3fd9b2 [0,1,1,0,0,0|1,0,1]=4 428 B13R1.536 C=CC(C)COCCc1ccsc1 bd56dda1ad46a1900ef5a65eb7248fa9 [0,1,1,0,0,0|1,0,1]=4 429 B13R1.536 CC(C#N)COCCc1ccsc1 eaf4f9b5af3a8fe99218ef7b2e21999c [0,1,1,0,0,0|0,0,2]=4 430 B13R1.536 CC(CO)CNCCc1ccsc1 c6ed2fbd325a91120f39c9895e57714b [0,1,1,0,0,0|2,0,0]=4 431 B13R1.536 CCC(=O)COCCc1ccsc1 81631605d619b8eadc7413bd67f878bf [0,1,1,0,0,0|1,0,1]=4 432 B13R1.536 CCC(C)CNCCc1ccsc1 9112843e7d96ec167378bc8c958ad442 [0,1,1,0,0,0|2,0,0]=4 433 B13R1.536 CCC(C)COCCc1ccsc1 032ccc441f45e8be84dbea41b5575283 [0,1,1,0,0,0|1,0,0]=3 434 B13R1.536 CCC(C)COCCc1cscn1 e64b6c2f6c77b544d5cd5ee4d094ffd1 [0,1,1,0,0,0|2,0,0]=4 435 B13R1.536 CCC(O)CNCCc1ccsc1 94c6683b403d96cde4e58f4742980c23 [0,1,1,0,0,0|2,0,0]=4 436 B13R1.536 CC[C@@H](C)CNCCc1ccsc1 729673338e9a63b8a9583fafea48d6aa [0,1,1,0,0,0|2,0,0]=4 437 B13R1.536 CC[C@@H](C)COCCc1ccsc1 2945c7de8bd308b0385e8963c7558f25 [0,1,1,0,0,0|1,0,0]=3 438 B13R1.536 CC[C@@H](C)COCCc1cscn1 db95d932d7a86ff928a3f557b557db1b [0,1,1,0,0,0|2,0,0]=4 439 B13R1.536 CC[C@@H](O)CNCCc1ccsc1 ad45a4c0f5c960180a2343807d2d3b2c [0,1,1,0,0,0|2,0,0]=4 440 B13R1.536 CC[C@H](C)CNCCc1ccsc1 de603698d0e165660ad75887d88bd075 [0,1,1,0,0,0|2,0,0]=4 441 B13R1.536 CC[C@H](C)COCCc1ccsc1 c8c7c364b06cc8cca15612f3af7ecd10 [0,1,1,0,0,0|1,0,0]=3 442 B13R1.536 CC[C@H](C)COCCc1cscn1 a1d664ecb4c7e51dd75d2d38651f0b83 [0,1,1,0,0,0|2,0,0]=4 443 B13R1.536 COC(C)COCCc1ccsc1 58b98e25ff560e87fc11e4bd3dc33d41 [0,1,1,0,0,0|2,0,0]=4 444 B13R1.536 CO[C@@H](C)COCCc1ccsc1 39fae20bb639d0fc96c92f84fea85090 [0,1,1,0,0,0|2,0,0]=4 445 B13R1.536 CO[C@H](C)COCCc1ccsc1 51a6a087afc3f6ecac9a0ede5018a1b2 [0,1,1,0,0,0|2,0,0]=4 446 B13R1.536 C[C@@H](CO)CNCCc1ccsc1 115102e321c671c82bb855e102f49563 [0,1,1,0,0,0|2,0,0]=4 447 B13R1.536 C[C@H](CO)CNCCc1ccsc1 d797bdfcec4ff745d21906729c05cf56 [0,1,1,0,0,0|2,0,0]=4 448 B13R1.536 ClCC(Cl)COCCc1ccsc1 b4c42ec274e64bb7edb5db93cf4d7147 [0,1,1,0,0,0|1,0,0]=3 449 B13R1.536 ClCC(Cl)COCCc1cscn1 1cbf3c63df406524e7d3a484e74a476a [0,1,1,0,0,0|2,0,0]=4 450 B13R1.536 OC(CF)CNCCc1ccsc1 cbf61cf87571223f535f7d90bc7c8109 [0,1,1,0,0,0|2,0,0]=4 451 B13R1.536 OCC(F)CNCCc1ccsc1 498596cbbaa1fa49769fba77ab4451d7 [0,1,1,0,0,0|2,0,0]=4 452 B13R1.536 OCC(O)CNCCc1ccsc1 24d4a7992d898646390e4f66ce0039e8 [0,1,1,0,0,0|2,0,0]=4 453 B13R1.536 OCC(O)COCCc1ccoc1 ad452288e66ddaf256cba9ba7ee90891 [0,1,1,0,0,0|1,1,0]=4 454 B13R1.536 OCC(O)COCCc1ccsc1 12377dbad0146a5013c59325e70ee09a [0,1,1,0,0,0|1,0,0]=3 455 B13R1.536 OCC(O)COCCc1cscn1 523fa71520c45d5bbb64346de425592c [0,1,1,0,0,0|2,0,0]=4 456 B13R1.536 OC[C@@H](F)CNCCc1ccsc1 d589b0d1fe95238e5b1eabe4eaffbb41 [0,1,1,0,0,0|2,0,0]=4 457 B13R1.536 OC[C@@H](O)CNCCc1ccsc1 35a81d0551a8c5ac1a7335a922cd5266 [0,1,1,0,0,0|2,0,0]=4 458 B13R1.536 OC[C@@H](O)COCCc1ccoc1 bf72fa3e77d746892a36a1b7a3c495df [0,1,1,0,0,0|1,1,0]=4 459 B13R1.536 OC[C@@H](O)COCCc1ccsc1 1a5766333404558b2b9c01936e768726 [0,1,1,0,0,0|1,0,0]=3 460 B13R1.536 OC[C@@H](O)COCCc1cscn1 5f455fc590fd83fbff410215a58c8903 [0,1,1,0,0,0|2,0,0]=4 461 B13R1.536 OC[C@H](F)CNCCc1ccsc1 d930fbb6d39752790cd5f71956fd63b3 [0,1,1,0,0,0|2,0,0]=4 462 B13R1.536 OC[C@H](O)CNCCc1ccsc1 4c69e852493656b6be69a19b0e529591 [0,1,1,0,0,0|2,0,0]=4 463 B13R1.536 OC[C@H](O)COCCc1ccoc1 71ec1f6e086bf7bec0537afa53ec1fd5 [0,1,1,0,0,0|1,1,0]=4 464 B13R1.536 OC[C@H](O)COCCc1ccsc1 d61dddc72dacb929d962cf3d172f3e56 [0,1,1,0,0,0|1,0,0]=3 465 B13R1.536 OC[C@H](O)COCCc1cscn1 e7dc68ca6330cb1f6fe34bcce2086943 [0,1,1,0,0,0|2,0,0]=4 466 B13R1.536 SCC(S)COCCc1ccsc1 3381fad6d73a2b77d6459a7b7a393b33 [0,1,1,0,0,0|1,0,0]=3 467 B13R1.536 SCC(S)COCCc1cscn1 942a616caabd736cf90dfaad3cc3717c [0,1,1,0,0,0|2,0,0]=4 468 B13R1.654 CCCCOCCc1ncsc1C c6d8de8232e78601cf8bcb03e5267f9c [0,1,1,0,0,0|2,0,0]=4 469 B13R1.654 CCCCOCNc1ccsc1C 309d5b4b17de3f88779e2a4ceb474a63 [0,1,1,0,0,0|2,0,0]=4 470 B13R1.654 CCCCOCNc1cscc1C 3b45079a7e6b139e4e402fbb967559fa [0,1,1,0,0,0|2,0,0]=4 471 B13R1.654 Cc1scnc1CCOCCCF e5b056808fbb72076bf821d78a8fe3a9 [0,1,1,0,0,0|2,0,0]=4 472 B13R1.654 Cc1scnc1CCOCCCS 37ece05c0f58bf0391116289c4ecaaaf [0,1,1,0,0,0|2,0,0]=4 473 B13R1.170 C#CCOC(CCC)c1cccs1 0985b40e6b035096f533c8775f1a9360 [0,1,1,0,0,0|1,0,1]=4 474 B13R1.170 C=CCOC(CCC)c1cccs1 8fd27da9f3e9480f079321cdbe573c67 [0,1,1,0,0,0|1,0,1]=4 475 B13R1.170 CCCC(NCCF)c1cccs1 32a8373b5f0d17538c1df11e882020eb [0,1,1,0,0,0|2,0,0]=4 476 B13R1.170 CCCC(NCCO)c1cccs1 e7d76de8c00d0e81ef1f3a98df531a0c [0,1,1,0,0,0|2,0,0]=4 477 B13R1.170 CCCC(NCCS)c1cccs1 5999fe2ace2ee76e6532fb9eff2ea1b8 [0,1,1,0,0,0|2,0,0]=4 478 B13R1.170 CCCC(NCOC)c1cccs1 335c155b8db48a700c020c958b9d833c [0,1,1,0,0,0|2,0,0]=4 479 B13R1.170 CCCC(NCSC)c1cccs1 7a40d9efba2ca99c31d7429397007410 [0,1,1,0,0,0|2,0,0]=4 480 B13R1.170 CCCC(OCC#N)c1cccs1 8690c2699052cc7319d86b4714e75bd1 [0,1,1,0,0,0|1,0,1]=4 481 B13R1.170 CCCC(OCC=O)c1cccs1 02f316127adf9e70b4fdee9e876defad [0,1,1,0,0,0|1,0,1]=4 482 B13R1.170 CCCC(OCCF)c1cccs1 144d4ced92eab58733d26c2032be6dbb [0,1,1,0,0,0|1,0,0]=3 483 B13R1.170 CCCC(OCCS)c1cccs1 667aa4e4f9949c864de9958b280ef8f0 [0,1,1,0,0,0|1,0,0]=3 484 B13R1.170 CCCC(OCOC)c1cccs1 80defbd5970b8e3c6687b3e376f61e1f [0,1,1,0,0,0|1,0,0]=3 485 B13R1.170 CCCC(OCSC)c1cccs1 ece0b4a5e62d35d1f1403ed806c827dc [0,1,1,0,0,0|1,0,0]=3 486 B13R1.170 CCCNC(CCC)c1cccs1 e11fb1368cf6f963f87fdc8916c135c2 [0,1,1,0,0,0|2,0,0]=4 487 B13R1.170 CCCNC(CCO)c1cccs1 b4dcee61ece52c8e53ef5a3577ebc3d1 [0,1,1,0,0,0|2,0,0]=4 488 B13R1.170 CCCOC(CC#N)c1cccs1 0326708e94c7c71b05b71403b6e5470a [0,1,1,0,0,0|0,0,2]=4 489 B13R1.170 CCCOC(CCC)c1cccs1 7272d304044cd5fe2143dac07493a9d2 [0,1,1,0,0,0|1,0,0]=3 490 B13R1.170 COCNC(CCO)c1cccs1 0c22022436f80430701ecb6ad0ca9414 [0,1,1,0,0,0|2,0,0]=4 491 B13R1.170 COCOC(CC#N)c1cccs1 08e0792abd3c554f9484b98fc5c81357 [0,1,1,0,0,0|0,0,2]=4 492 B13R1.170 CSCNC(CCO)c1cccs1 19409e9f312ed8428325860ec534ce77 [0,1,1,0,0,0|2,0,0]=4 493 B13R1.170 CSCOC(CC#N)c1cccs1 60fc5811f46cc2598b93676048e8ad62 [0,1,1,0,0,0|0,0,2]=4 494 B13R1.170 N#CCC(OCCF)c1cccs1 d86dc90ac049252ef99b186b5b6574b7 [0,1,1,0,0,0|0,0,2]=4 495 B13R1.170 N#CCC(OCCS)c1cccs1 bc7b2e90228ad0b493d5d51bfdb31569 [0,1,1,0,0,0|0,0,2]=4 496 B13R1.170 OCCC(NCCF)c1cccs1 282f72d0eabdfeac350ee351b3396be6 [0,1,1,0,0,0|2,0,0]=4 497 B13R1.170 OCCC(NCCS)c1cccs1 7c45aa5792395d91539b9cc40080a93b [0,1,1,0,0,0|2,0,0]=4 498 B13R1.170 OCCNC(CCO)c1cccs1 52926990464bc6255991fb5fc5398c0f [0,1,1,0,0,0|2,0,0]=4 499 B13R1.397 CCCC(OCC)c1ccc(s1)Br 95bc239a9967ebc7e6a1d3eae0f82590 [0,1,1,0,0,0|1,0,0]=3 500 B13R1.397 CCCC(OCF)c1ccc(s1)Br 0713dca9fd42943215ec0cd4d74d6cc8 [0,1,1,0,0,0|2,0,0]=4 501 B13R1.403 CC(C)NC(CCO)c1cccs1 e03d807a10dc909c1547faff1edeb414 [0,1,1,0,0,0|2,0,0]=4 502 B13R1.403 CC(C)OC(CC#N)c1cccs1 09edfc6d6979182b21191e58ae53bd32 [0,1,1,0,0,0|0,0,2]=4 503 B13R1.403 CCCC(NC(C)C)c1cccs1 4723feaa7ca43659649a067d20512d6e [0,1,1,0,0,0|2,0,0]=4 504 B13R1.403 CCCC(OC(C)C)c1cccs1 0a1f743c438d25a2c117809e0c8f0a8d [0,1,1,0,0,0|1,0,0]=3 505 B15R2.18471 CCNCC1OCCc2c1cccc2 e69272bea8bb3a90be920113a27ab907 [0,1,0,0,0,1|2,0,0]=4 506 B15R2.18471 FCNCC1OCCc2c1cccc2 ddd2198a2cb5ea8fae42551fcb122226 [0,1,0,0,0,1|2,0,0]=4 507 B15R2.18471 OCNCC1OCCc2c1cccc2 f868d278a020444a8800a8663c6d983e [0,1,0,0,0,1|2,0,0]=4 508 B13R2.64 c1cc(cs1)NC2CCCCO2 a3745f1a5e7294f6d23413f4b5f44f3f [0,0,1,1,0,0|2,0,0]=4 509 B13R2.64 c1cc(cs1)OC2CCCCO2 1dc5486949df5aeca21880866a90e6db [0,0,1,1,0,0|2,0,0]=4 510 B13R2.196 CC1CC1NCCc2ccsc2 19fed5cf2740d809e82aed8ef290ad77 [0,0,1,1,0,0|2,0,0]=4 511 B13R2.196 F[C@@H]1C[C@@H]1NCCc2ccsc2 a04dc158a2796ff21e15af0ad994e9cb [0,0,1,1,0,0|2,0,0]=4 512 B13R2.196 F[C@@H]1C[C@H]1NCCc2ccsc2 b0e42003d9e1f95d443e9be0c1415ed8 [0,0,1,1,0,0|2,0,0]=4 513 B13R2.196 F[C@H]1C[C@@H]1NCCc2ccsc2 e94d388cab64055c871605514176356d [0,0,1,1,0,0|2,0,0]=4 514 B13R2.2380 c1cc(co1)CCOCC2CC2 de1e74f8071f136eed3324184e0f6172 [0,0,1,1,0,0|1,1,0]=4 515 B13R2.2380 c1cc(cs1)CCNCC2CC2 8b2379d789ae1b6db0fd11c834b5c860 [0,0,1,1,0,0|2,0,0]=4 516 B13R2.2380 c1cc(cs1)CCOCC2CC2 7b4ab38eacbf044c9815577910887289 [0,0,1,1,0,0|1,0,0]=3 517 B13R2.2380 c1nc(cs1)CCOCC2CC2 f219e29aab812b33a2cf2d577c8d11df [0,0,1,1,0,0|2,0,0]=4 518 B13R2.2381 c1cc(co1)CCOC2CCC2 f9ebacc97f6ca2dab008f186919df3a8 [0,0,1,1,0,0|1,1,0]=4 519 B13R2.2381 c1cc(cs1)CCNC2CCC2 19ef84ff879302899af5e6bf0f75a060 [0,0,1,1,0,0|2,0,0]=4 520 B13R2.2381 c1cc(cs1)CCOC2CCC2 81b83f1fc283e46ba27fefe07cbc577a [0,0,1,1,0,0|1,0,0]=3 521 B13R2.2381 c1cc(cs1)CCOC2COC2 b23850f98466d1f49bbcf4296654b8ed [0,0,1,1,0,0|2,0,0]=4 522 B13R2.2381 c1cc(cs1)CCOC2CSC2 ca32bfd06fe3ceab820ca94d063fc4f7 [0,0,1,1,0,0|2,0,0]=4 523 B13R2.2381 c1nc(cs1)CCOC2CCC2 9a2a997fea52e572384d19a0afd6130d [0,0,1,1,0,0|2,0,0]=4 524 B13R2.777 CCNC(c1cccs1)C2CC2 aa4cc998abb62ce7d3cc0cf2479cd1c1 [0,0,1,1,0,0|2,0,0]=4 525 B13R1.28 CCCCOCCc1ccccc1 9579249358ed59a0332ebffafb432191 [0,0,1,0,0,1|2,0,0]=4 526 B13R1.28 CCCCOCCc1ccccn1 f5bb843c066a5a457e856626fef0f0d8 [0,0,1,0,0,1|2,0,0]=4 527 B13R1.28 CCCCOCCc1cccnc1 9ae2a1a7b876b5913444bc16d2e2b001 [0,0,1,0,0,1|2,0,0]=4 528 B13R1.28 CCCCOCCc1ccncc1 fbfcf7d6d3394c78234724482a6fbd17 [0,0,1,0,0,1|2,0,0]=4 529 B13R1.28 CCCCOCCc1ccncn1 17180b599ae1252c4f6fafeb5b1b444b [0,0,1,0,0,1|2,0,0]=4 530 B13R1.28 CCCCOCCc1cnccn1 e2323fc4c0b3b6733bf22db19e588be2 [0,0,1,0,0,1|2,0,0]=4 531 B13R1.28 CCCCOCCc1cncnc1 b20ffa85cc9107db3100665c921aaf41 [0,0,1,0,0,1|2,0,0]=4 532 B13R1.28 FCCCOCCc1ccccc1 310cdeaa04912c9fbd1c7026a24a1ed3 [0,0,1,0,0,1|2,0,0]=4 533 B13R1.28 FCCCOCCc1ccccn1 63c38b7fa49e0042f290b951ab1150f8 [0,0,1,0,0,1|2,0,0]=4 534 B13R1.28 FCCCOCCc1cccnc1 e8990575a189f5f4f7b356e396bff1a5 [0,0,1,0,0,1|2,0,0]=4 535 B13R1.28 FCCCOCCc1ccncc1 779211f1bfff9ef96697b4700e0ff7d2 [0,0,1,0,0,1|2,0,0]=4 536 B13R1.28 FCCCOCCc1ccncn1 b6733e18e620ccc6b6bb6ab9ae77cf1a [0,0,1,0,0,1|2,0,0]=4 537 B13R1.28 FCCCOCCc1cnccn1 9474ba7066f51d1ec1fe7a8f97e3519a [0,0,1,0,0,1|2,0,0]=4 538 B13R1.28 FCCCOCCc1cncnc1 34e1716f526381bcaa07134253b3b1eb [0,0,1,0,0,1|2,0,0]=4 539 B13R1.28 SCCCOCCc1ccccc1 de0b15ea71e4523c7421e65f8c83011e [0,0,1,0,0,1|2,0,0]=4 540 B13R1.28 SCCCOCCc1ccccn1 8294d44d3ee2bf3ad1261a87165cc40d [0,0,1,0,0,1|2,0,0]=4 541 B13R1.28 SCCCOCCc1cccnc1 7ecfbbe9b3b14ecb12233ddfe9be3662 [0,0,1,0,0,1|2,0,0]=4 542 B13R1.28 SCCCOCCc1ccncc1 ed2ec98d8cda9a5f40dffa1d68aaf03d [0,0,1,0,0,1|2,0,0]=4 543 B13R1.28 SCCCOCCc1ccncn1 5c7b146957ec32db1bd2a637201f8ad7 [0,0,1,0,0,1|2,0,0]=4 544 B13R1.28 SCCCOCCc1cnccn1 8f5753065704a75ffd3185d937c4b674 [0,0,1,0,0,1|2,0,0]=4 545 B13R1.28 SCCCOCCc1cncnc1 b0847c4ad843316d16d4b66bd0590e35 [0,0,1,0,0,1|2,0,0]=4 546 B13R1.389 CCCC(CCC)Nc1cccs1 bef4fbfc4d45b223ec0e168981e76705 [0,0,1,0,0,1|2,0,0]=4 547 B13R1.389 CCCC(CCO)Nc1cccs1 a0e2a84d0346bb1fa5ad98e68a844934 [0,0,1,0,0,1|2,0,0]=4 548 B13R1.398 CCCC(OCC)c1ccccc1 1cc1a4cc3f334b214c9cb547ca17caa9 [0,0,1,0,0,1|2,0,0]=4 549 B13R1.398 CCC[C@@H](OCC)c1ccccc1 38fac7afa3522c365d281f27829e3da9 [0,0,1,0,0,1|2,0,0]=4 550 B13R1.398 CCC[C@H](OCC)c1ccccc1 c3efcc6ce5a488ec88cbb48dde6ce64c [0,0,1,0,0,1|2,0,0]=4