0 B27R4.1306683 COc1ccc2c(c1)N(c3ccccc3S2)CCC4CCCOC4 b26d7b8c4061d20f4abd3377088bbda9 [1,0,0,0,0,0|2,1,0]=4 1 B27R4.1306683 COc1ccc2c(c1)N(c3ccccc3S2)CCC4CCOCC4 2c124ca9aea76867edeb98b39bee971f [1,0,0,0,0,0|2,1,0]=4 2 B27R4.1306683 COc1ccc2c(c1)N(c3ccccc3S2)CCC4COCCO4 6fd915908d6496f50b066e034bcb5686 [1,0,0,0,0,0|2,1,0]=4 3 B27R4.1306683 COc1ccc2c(c1)N(c3ccccc3S2)CCN4CCCCC4 a84951d427a26bc54b9caad42a02e98c [1,0,0,0,0,0|2,1,0]=4 4 B27R4.1306683 COc1ccc2c(c1)N(c3ccccc3S2)CCN4CCCCO4 bee3250589142fd522af78a8b4d29088 [1,0,0,0,0,0|2,1,0]=4 5 B27R4.1306683 COc1ccc2c(c1)N(c3ccccc3S2)COC4CCCCC4 fde9f35896c7d1741b4b571910472de4 [1,0,0,0,0,0|2,1,0]=4 6 B27R4.1306683 CSc1ccc2c(c1)N(c3ccccc3S2)CCC4CCCOC4 a5089969e40422538862b105795af203 [1,0,0,0,0,0|2,0,0]=3 7 B27R4.1306683 CSc1ccc2c(c1)N(c3ccccc3S2)CCC4CCOCC4 dad0020dc529ae4ae5b56287f0fcfea3 [1,0,0,0,0,0|2,0,0]=3 8 B27R4.1306683 CSc1ccc2c(c1)N(c3ccccc3S2)CCN4CCCCC4 44e1e9531482b75b5c7c66edd699026a [1,0,0,0,0,0|2,0,0]=3 9 B27R4.1306683 CSc1ccc2c(c1)N(c3ccccc3S2)CCN4CCCCO4 3fa550c12f07d01062d4dea5ba8bd771 [1,0,0,0,0,0|2,0,0]=3 10 B27R4.1306683 CSc1ccc2c(c1)N(c3ccccc3S2)CCN4CCOCC4 5bf7dbb1b0f8ff5c2917a2267987a0b4 [1,0,0,0,0,0|3,0,0]=4 11 B27R4.18903791 CN1CCCCC1COC2c3ccccc3Sc4c2cc(cc4)Cl c85316f1711bfe54b86e2c4ed23cc827 [1,0,0,0,0,0|3,0,0]=4 12 B29R4.101618460 COc1ccc2c(c1)N(c3ccccc3S2)C(=O)CC4CCCCN4C 3b3ca2361ac0211cd0d1427de4ea548a [0,1,0,0,0,0|0,1,1]=3 13 B29R4.101618460 CSc1ccc2c(c1)N(c3ccccc3S2)C(=O)CC4CCCCC4=O 27ac1d783beb426d8cdcdaaf924f71ba [0,1,0,0,0,0|2,0,1]=4 14 B27R3.2532165 CSc1ccc(c(c1)C(OCC2CCCCN2C)c3ccccc3)F b048bcf21b5e1f2d6147accd39c91843 [0,0,1,0,0,0|3,0,0]=4 15 B27R3.391024633 COc1ccc2c(c1)N(c3ccccc3S2)CCCCCCCCO dca788defb93f9d2f1963cad824eca2d [0,0,1,0,0,0|2,1,0]=4 16 B27R3.1304787397 CCCNC(=O)CCCN1c2ccccc2Sc3c1cc(cc3)SC ee2f06798e01a76abf7a03983a87c80b [0,0,1,0,0,0|3,0,0]=4 17 B27R4.45559368 COc1ccc2c(c1)N(c3ccccc3S2)CC4CCCCN4C c02b884ee4f06aecd0e398bec2746cc3 [0,0,0,0,1,0|0,1,0]=2 18 B27R4.45559372 COc1ccc2c(c1)N(c3ccccc3S2)CCC4CCCN4C 9e662d88a586e4115cd6446225ac9d11 [0,0,0,0,1,0|0,1,0]=2 19 B27R4.45559372 CSc1ccc2c(c1)N(c3ccccc3S2)CCC4CCCN4C 4b6f4696ca6cf3fb5357d0cac7734464 [0,0,0,0,1,0|0,0,0]=1 20 B27R4.45559372 CSc1ccc2c(c1)N(c3ccccc3S2)CCC4CCNC4=O 47982720277710dfa92eed67184cd512 [0,0,0,0,1,0|3,0,0]=4 21 B27R4.45559372 CSc1ccc2c(c1)N(c3ccccc3S2)CCN4CCCC4=O 6c180dbf96061f6dbe19e3d6d5937b1c [0,0,0,0,1,0|3,0,0]=4 22 B26R3.184853 CSc1ccc(c(c1)NCCC2CCCCO2)Oc3ccccc3 946fc11e4fe2dd2f8baab1ece560920b [1,0,1,0,0,0|1,1,0]=4 23 B26R3.2313078 CSc1cccc(c1)C(OCC2CCCCN2C)c3ccccc3 0fcfb8e50416fdf4f946a425fa691f08 [1,0,1,0,0,0|2,0,0]=4 24 B26R3.174006547 CCOCCOCCN1c2ccccc2Sc3c1cc(cc3)SC 236d7c3cfbb387b902c04d6313604157 [1,0,1,0,0,0|2,0,0]=4 25 B26R3.174006547 COCCCCCCN1c2ccccc2Sc3c1cc(cc3)OC 1cc6c0fc0db7997a6af9dfa2dedb7f04 [1,0,1,0,0,0|1,1,0]=4 26 B26R3.174006547 COCCOCCCN1c2ccccc2Sc3c1cc(cc3)SC e2f32642257c19d7f0537bb5597b6ebc [1,0,1,0,0,0|2,0,0]=4 27 B26R3.174006547 COc1ccc2c(c1)N(c3ccccc3S2)CCCCCCCO 1a658d2195643c9200aa601aa794de6a [1,0,1,0,0,0|1,1,0]=4 28 B26R3.174006547 CSc1ccc2c(c1)N(c3ccccc3S2)CCCCCCCO 0940ddc55ca2fe8f1381ebf30800550f [1,0,1,0,0,0|1,0,0]=3 29 B26R3.174006547 CSc1ccc2c(c1)N(c3ccccc3S2)CCCOCCCO a1c1f233d01edfdb83185fa3c8a1f77a [1,0,1,0,0,0|2,0,0]=4 30 B28R3.106182642 CSc1ccc2c(c1)N(c3ccccc3S2)CCCCCCCC(=O)N de46ff70a74c0c93e1d00abe12e84359 [0,1,1,0,0,0|2,0,0]=4 31 B28R3.686009672 COCCOCCOCCN1c2ccccc2Sc3c1cc(cc3)SC 302eb8c5632f450ee519392c6bcae24f [0,1,1,0,0,0|2,0,0]=4 32 B28R3.686009672 CSc1ccc2c(c1)N(c3ccccc3S2)CCCCCCOCCO d54083056606f38bb3e57a530c5ef45d [0,1,1,0,0,0|2,0,0]=4 33 B28R3.686009672 CSc1ccc2c(c1)N(c3ccccc3S2)CCCCOCCCCO d48ecb917ddfedc0419dec48e8609979 [0,1,1,0,0,0|2,0,0]=4 34 B28R4.1247559 CSc1ccc2c(c1)N(c3ccccc3S2)C(=O)CC4CCCCO4 1ca3bf616b210c96187958d85e29c8c7 [1,1,0,0,0,0|1,0,1]=4 35 B28R4.1247559 CSc1ccc2c(c1)N(c3ccccc3S2)C(C)CN4CCCCC4 7629f9e590f9d8afbc384ab1e5b2e881 [1,1,0,0,0,0|2,0,0]=4 36 B28R4.3783327 CCSc1ccc2c(c1)N(c3ccccc3S2)CCN4CCCCC4 a61880956fad76416735d569750d0de9 [1,1,0,0,0,0|2,0,0]=4 37 B28R4.3783327 CCSc1ccc2c(c1)N(c3ccccc3S2)CCN4CCCCO4 6a721994ab68b09450fc91fb31251f7d [1,1,0,0,0,0|2,0,0]=4 38 B28R4.62938669 COc1ccc2c(c1)N(c3ccccc3S2)C(=O)C4CCCCN4C ae7dfd23b86841d734a70fdad8b5ec19 [0,1,0,0,1,0|0,1,1]=4 39 B28R4.62938669 COc1ccc2c(c1)N(c3ccccc3S2)C(=O)[C@@H]4CCCCN4C 373e487733f28aff4ab0cf1a1154a331 [0,1,0,0,1,0|0,1,1]=4 40 B28R4.62938669 COc1ccc2c(c1)N(c3ccccc3S2)C(=O)[C@H]4CCCCN4C ef793c348e62ed32a47862df0a7df47f [0,1,0,0,1,0|0,1,1]=4 41 B28R4.62938669 CSc1ccc2c(c1)N(c3ccccc3S2)C(=O)C4CCCCN4C 80e9e664363dbef7db7ca86aeca84e62 [0,1,0,0,1,0|0,0,1]=3 42 B28R4.62938669 CSc1ccc2c(c1)N(c3ccccc3S2)C(=O)C4COCCN4C 0688a690ebb30f6eb933cd82a66c6cb7 [0,1,0,0,1,0|1,0,1]=4 43 B28R4.62938669 CSc1ccc2c(c1)N(c3ccccc3S2)C(=O)[C@@H]4CCCCN4C 4c0bee11a814b69a52426af06cfeb211 [0,1,0,0,1,0|0,0,1]=3 44 B28R4.62938669 CSc1ccc2c(c1)N(c3ccccc3S2)C(=O)[C@@H]4COCCN4C ab592b908be284c6f215d71f0ab34481 [0,1,0,0,1,0|1,0,1]=4 45 B28R4.62938669 CSc1ccc2c(c1)N(c3ccccc3S2)C(=O)[C@H]4CCCCN4C 98424a9e3dc3a6b4e922a859fcd3ce48 [0,1,0,0,1,0|0,0,1]=3 46 B28R4.62938669 CSc1ccc2c(c1)N(c3ccccc3S2)C(=O)[C@H]4COCCN4C 2118b539f4bf89ac85e6a60f3eca70c1 [0,1,0,0,1,0|1,0,1]=4 47 B28R4.27784292 CCSc1ccc2c(c1)N(c3ccccc3S2)CCC4CCCN4C 4182d52344d7b19b13e335c999c225a0 [0,1,0,0,1,0|0,0,0]=2 48 B28R4.62938673 COc1ccc2c(c1)N(c3ccccc3S2)C(=O)CC4CCCN4C 218b73a62a7698a6069749cafd4fd811 [0,1,0,0,1,0|0,1,1]=4 49 B28R4.62938673 COc1ccc2c(c1)N(c3ccccc3S2)C(=O)C[C@@H]4CCCN4C 6c75cbe87ab4de210df37897a7e7000a [0,1,0,0,1,0|0,1,1]=4 50 B28R4.62938673 COc1ccc2c(c1)N(c3ccccc3S2)C(=O)C[C@H]4CCCN4C b6dff205ee9165ec3d0b3434e82aa6b3 [0,1,0,0,1,0|0,1,1]=4 51 B28R4.62938673 CSc1ccc2c(c1)N(c3ccccc3S2)C(=O)CC4CCCN4C c32009388d3f2f54850273d0624f7d3e [0,1,0,0,1,0|0,0,1]=3 52 B28R4.62938673 CSc1ccc2c(c1)N(c3ccccc3S2)C(=O)C[C@@H]4CCCN4C e12a6ef1ee9e4681f90e3012d03806ae [0,1,0,0,1,0|0,0,1]=3 53 B28R4.62938673 CSc1ccc2c(c1)N(c3ccccc3S2)C(=O)C[C@H]4CCCN4C d25411ecfc52e6cc4a6957edcbd97413 [0,1,0,0,1,0|0,0,1]=3 54 B30R4.367411628 CSc1ccc2c(c1)N(c3ccccc3S2)C(=O)CCN4CCCCC4C 68f8a89488da34621f38164383a0d7ff [0,1,0,0,0,1|2,0,0]=4 55 B30R4.367411628 CSc1ccc2c(c1)N(c3ccccc3S2)C(=S)NCC4COCCN4C 53d2b128d1a4f806b9d69375cd79e593 [0,1,0,0,0,1|1,0,1]=4 56 B30R4.367411628 CSc1ccc2c(c1)N(c3ccccc3S2)C(=S)NC[C@@H]4COCCN4C 44adb2c5b1bf3588ef52e447b54b4a91 [0,1,0,0,0,1|1,0,1]=4 57 B30R4.367412544 CSc1ccc2c(c1)N(c3ccccc3S2)CC(=O)NC4CCCCC4C 5ad907df2c2758fb01a29aca7721b57f [0,1,0,0,0,1|1,0,1]=4 58 B30R4.1137066892 CC(=O)c1ccc2c(c1)N(c3ccccc3S2)C(=O)CC4CCCCN4C d8fe0ae5f1639e7375f05d5eb8c4b199 [0,2,0,0,0,0|1,0,1]=4 59 B26R2.1831407 CCCCN(C)CCCNc1ccccc1Sc2ccc(cc2)C=O 2268f1a5873897ce9ca415cc62fb4eca [0,0,2,0,0,0|2,0,0]=4 60 B28R4.1247572 CSc1ccc2c(c1)N(c3ccccc3S2)CCCN4CCCCC4 19d0bf599602dcac521a343f34c247d8 [0,0,1,1,0,0|2,0,0]=4 61 B28R4.300636958 CSc1ccc2c(c1)N(c3ccccc3S2)CCN4CCCCCC4 ad60da6d1886a2b904f3589d7e75f75d [0,0,1,1,0,0|2,0,0]=4 62 B28R5.36230954 COc1ccc2c(c1)N(c3ccccc3S2)CC4CC5CCC4C5 dd26d9e3af16cc112ab7a381353a1760 [0,0,0,1,1,0|1,1,0]=4 63 B28R5.36230954 CSc1ccc2c(c1)N(c3ccccc3S2)C[C@@H]4C[C@@H]5CC[C@H]4O5 5f1bd058d13a55a45fe56228b66d4e9f [0,0,0,1,1,0|2,0,0]=4 64 B28R5.36230954 CSc1ccc2c(c1)N(c3ccccc3S2)C[C@H]4C[C@@H]5CC[C@H]4O5 b850f97a070cabe0fb4bb90fe783ea0f [0,0,0,1,1,0|2,0,0]=4 65 B26R3.51282 COc1ccc(cc1)Oc2ccccc2NCC3CCCCN3C 272a9afabcda5c3eb9f07a170462a9f6 [0,0,1,0,1,0|0,2,0]=4 66 B26R3.51393 COc1ccc(cc1)Oc2ccccc2NCCC3CCCN3C 0b2bc67a12d65c4ef1ee22af0fff6340 [0,0,1,0,1,0|0,2,0]=4 67 B26R3.1546028 CN1CCCCC1CNc2cc(ccc2Sc3ccccc3)C#N 569ea796de4976401965a20c1fc944e2 [0,0,1,0,1,0|2,0,0]=4 68 B26R3.1546028 COc1ccc(c(c1)NCC2CCCCN2C)Oc3ccccc3 e7a57a5de3f87ae237774530ee9e5f86 [0,0,1,0,1,0|0,2,0]=4 69 B26R3.1547584 CN1CCCC1CCNc2cc(ccc2Sc3ccccc3)C#N c64c5ac636ddc7c82654d6fce9569b72 [0,0,1,0,1,0|2,0,0]=4 70 B26R3.1547584 COc1ccc(c(c1)NCCC2CCCN2C)Oc3ccccc3 b86aec8ddd4b46670086a51e12d05406 [0,0,1,0,1,0|0,2,0]=4 71 B26R4.1310342 COc1ccc2c(c1)N(c3ccccc3S2)CC4CCCCC4 62024f19a8e60fe7c3fabf1eea5524d0 [1,0,0,0,1,0|1,1,0]=4 72 B26R4.1310342 COc1ccc2c(c1)N(c3ccccc3S2)CC4CCCCO4 1f01c838b9f552bdf2f37dd656debb5b [1,0,0,0,1,0|1,1,0]=4 73 B26R4.1310342 CSc1ccc2c(c1)N(c3ccccc3S2)CC4CCOCC4 d6c93a8eed0f1fa0ed2632ae8e9d76d9 [1,0,0,0,1,0|2,0,0]=4 74 B26R4.1310345 COc1ccc2c(c1)N(c3ccccc3S2)CCC4CCCC4 ed00b654255a3330718514208f5c8281 [1,0,0,0,1,0|0,1,0]=3 75 B26R4.1310345 COc1ccc2c(c1)N(c3ccccc3S2)CCC4CCCO4 6f2531d54f48e472d28ca2d0ecf40297 [1,0,0,0,1,0|1,1,0]=4 76 B26R4.1310345 COc1ccc2c(c1)N(c3ccccc3S2)CCC4CCOC4 3208d45b4288b41dbfce45f781b05de8 [1,0,0,0,1,0|1,1,0]=4 77 B26R4.1310345 COc1ccc2c(c1)N(c3ccccc3S2)CCN4CCCC4 c6142820f7681dc1231edbe0e8b0ef47 [1,0,0,0,1,0|1,1,0]=4 78 B26R4.1310345 CSc1ccc2c(c1)N(c3ccccc3S2)CCC4CCOC4 209ef76ffbeda9f209e1ffa53fbe145a [1,0,0,0,1,0|1,0,0]=3 79 B26R4.1310345 CSc1ccc2c(c1)N(c3ccccc3S2)CCN4CCCC4 78c8d4383b093946110656f69267c6cc [1,0,0,0,1,0|1,0,0]=3 80 B26R4.1310345 N#Cc1ccc2c(c1)N(c3ccccc3S2)CCC4CCCC4 c2ae391602b1cc9d7f76806c84a53bb1 [1,0,0,0,1,0|2,0,0]=4 81 B26R4.43707870 COc1ccc2c(c1)N(c3ccccc3S2)[C@H]4CCCC[C@H]4C 7d9cab5aee067609e3b65622c837adac [0,0,0,0,2,0|1,1,0]=4 82 B26R4.43707874 CSc1ccc2c(c1)N(c3ccccc3S2)CC4COCC4C 6956a557a674431ba2deb65dc13d4da3 [0,0,0,0,2,0|2,0,0]=4 83 B26R4.43704608 CSc1ccc2c(c1)N(c3ccccc3S2)CCC4CCC4=O aaf582e41d7b4f2bd74b39cff33fdba3 [0,0,0,0,2,0|2,0,0]=4