0 B6R0.1 C=C(C=O)OCC 64c18fcc04a22b045ebc35a9eb4d4363 [0,0,1,0,0,0|1,0,2]=4 1 B6R0.1 C=CC(C)NC=O ea3bd8a0f1437d84f5ea96318c16e9bd [0,0,1,0,0,0|2,0,1]=4 2 B6R0.1 C=CC(C)NCC 948c94c892befefe9756783e6d4a372c [0,0,1,0,0,0|1,0,2]=4 3 B6R0.1 C=CC(C)OCC 56eed946f70859c9519e59c17b27f8ec [0,0,1,0,0,0|0,0,2]=3 4 B6R0.1 C=CC(C)OCF 703d6773683044b537087d8c1dd5b1e2 [0,0,1,0,0,0|1,0,2]=4 5 B6R0.1 C=C[C@H](C)OCC 1f2a0e5dd56f9e416c2e4c2822c0bb6e [0,0,1,0,0,0|0,0,2]=3 6 B6R0.1 C=C[C@H](C)OCF c364441950765d3e5b6d38d7dfe0e6ea [0,0,1,0,0,0|1,0,2]=4 7 B6R0.1 CCOC(C)C=O 4021b7076259f80e1751543881198165 [0,0,1,0,0,0|1,0,2]=4 8 B7R0.2 C=CC(C)NC(=O)C da0f45e746fe5ddfb85b752dba1a7d5c [0,1,1,0,0,0|1,0,1]=4 9 B7R0.2 C=CC(C)OC(C)C 532c4624b978961a1c4eda7e3050b228 [0,1,1,0,0,0|0,0,2]=4 10 B7R0.2 C=C[C@H](C)OC(C)C 0e0bab0a84cd6e94202f911cf430b03e [0,1,1,0,0,0|0,0,2]=4 11 B7R0.3 C=CC(C)COCC de472e64667dabd8a37119adef312e1a [0,1,1,0,0,0|0,0,2]=4 12 B7R0.3 C=CC(C)OCC=O cb8ab1e26c946580cb2eacb238eceadb [0,1,1,0,0,0|1,0,1]=4 13 B7R0.3 C=CC(C)OCCC 8464afc7aadbd92a9fa5abdf7f0413c4 [0,1,1,0,0,0|0,0,2]=4 14 B7R0.3 C=CC(C)OCCF c4042df7cc19bde943cbddaef845e060 [0,1,1,0,0,0|0,0,2]=4 15 B7R0.3 C=CC(C)OCCS 678429951381d6b0018777cbf0867dfc [0,1,1,0,0,0|0,0,2]=4 16 B7R0.3 C=CC(C)OCOC 7dfff84d56617c217e04946b11681e6b [0,1,1,0,0,0|0,0,2]=4 17 B7R0.3 C=CC(C)OCSC 359f7f1d84b7f76c37b0f03448dae423 [0,1,1,0,0,0|0,0,2]=4 18 B7R0.3 C=CCOC(C)C=C a1650d51ca3c5bc9bbb4242a057bd09a [0,1,1,0,0,0|0,0,2]=4 19 B7R0.3 C=CCO[C@@H](C)C=C 346d3a0f77fdd9102666716758056241 [0,1,1,0,0,0|0,0,2]=4 20 B7R0.3 C=C[C@H](C)OCC=O 1b1ed3039c6605fda21f2d5059ac888e [0,1,1,0,0,0|1,0,1]=4 21 B7R0.3 C=C[C@H](C)OCCC a65433c10fca3bf1d0678a7bf1f757da [0,1,1,0,0,0|0,0,2]=4 22 B7R0.3 C=C[C@H](C)OCCF 7f042cd75a5ba0def48be8560ce23a60 [0,1,1,0,0,0|0,0,2]=4 23 B7R0.3 C=C[C@H](C)OCCS db8d09200d0a97bd0c688972016cc7f4 [0,1,1,0,0,0|0,0,2]=4 24 B7R0.3 C=C[C@H](C)OCOC 7f6d09d69f15e79837c2da39f85862eb [0,1,1,0,0,0|0,0,2]=4 25 B7R0.3 C=C[C@H](C)OCSC 542e0c94386f5c75ff061222cd69cc9b [0,1,1,0,0,0|0,0,2]=4 26 B7R0.3 CCOC/C(=C/I)/C 92df24ec990a3895db2ac49e1b5a7038 [0,1,1,0,0,0|1,0,1]=4 27 B7R0.3 CCOCC(=CI)C fb53346fffa55ab558f152fe4ff2ec43 [0,1,1,0,0,0|1,0,1]=4 28 B7R0.7 C/C=C/C(C)OCC 2ab4f7797f6c67b991e2e31923687bf2 [0,1,1,0,0,0|0,0,2]=4 29 B7R0.7 C=CCC(C)OCC e661cd10cce572a7601633678f7f6510 [0,1,1,0,0,0|0,0,2]=4 30 B7R0.7 C=CC[C@@H](C)OCC 077d825b2d79fe5b7d34cfc8a591b694 [0,1,1,0,0,0|0,0,2]=4 31 B7R0.7 C=CC[C@H](C)OCC 67560b27043d123cb27b1dfe36dce4bb [0,1,1,0,0,0|0,0,2]=4 32 B7R0.7 CC=CC(C)OCC 5361522f2e573115d5b96113c76c93d1 [0,1,1,0,0,0|0,0,2]=4 33 B7R0.12 C=CC(CC)OCC 3384f4e6ac585bde2972dae19026fd2c [0,1,1,0,0,0|0,0,2]=4 34 B7R0.4 CC=CCNC(=O)C dc3e1d71e731895ff638118e5c964c13 [0,1,1,0,0,0|0,0,2]=4 35 B9R1.7 CCNc1ccc(s1)Br 9887066c4f23e7daf2738532a866a93f [0,2,0,0,0,0|1,1,0]=4 36 B9R1.7 CCNc1ccc(s1)C 6cc2b61cb21c538e8a3c4748615dc171 [0,2,0,0,0,0|0,1,0]=3 37 B9R1.7 CCNc1ccn(n1)C e0b6f5c811a7dd2a879c0d13a5dca6a9 [0,2,0,0,0,0|2,0,0]=4 38 B9R1.7 CCNc1cnc(o1)C 48c2ec697b2d1d60215d854942b5fe7d [0,2,0,0,0,0|1,0,0]=3 39 B9R1.7 CCNc1cnc(s1)C ac585df68cb12d993b05e0ff0ef620a3 [0,2,0,0,0,0|1,1,0]=4 40 B9R1.7 CCNc1nc(co1)C b26a52f95975447075cfb8a89ed6d926 [0,2,0,0,0,0|2,0,0]=4 41 B9R1.7 CCNc1nc(cs1)C d6f1a2a4dfbfdca53a2398d3f561dee6 [0,2,0,0,0,0|2,0,0]=4 42 B9R1.7 CCNc1ncc([nH]1)C 5ac775ce6f9d77e92c163881f0d757c2 [0,2,0,0,0,0|2,0,0]=4 43 B9R1.7 CCNc1ncc(o1)C b4b13cff670e86276ca545bfd94c7840 [0,2,0,0,0,0|1,0,0]=3 44 B9R1.7 CCNc1ncc(s1)C ae46aabc9922e91eb11f8310a472106e [0,2,0,0,0,0|1,1,0]=4 45 B9R1.7 CCNc1nnc(o1)C 556811ce690d01c759f92a5d7fdac19d [0,2,0,0,0,0|2,0,0]=4 46 B9R1.7 CCOC1C=CC(=O)O1 29891b23a7e06859f351008a27b82b00 [0,2,0,0,0,0|1,0,1]=4 47 B9R1.7 CCOc1cc(cs1)C f83ac452101022897e1afe49252bc0a6 [0,2,0,0,0,0|2,0,0]=4 48 B9R1.7 CCOc1ccc(s1)Br c97db172da234b04bd274e0b7ba7aac7 [0,2,0,0,0,0|1,1,0]=4 49 B9R1.7 CCOc1ccn(n1)C d316b50ffe3b7e9a9c8c75673185659a [0,2,0,0,0,0|2,0,0]=4 50 B9R1.7 Cc1ccc(s1)NC=O 745d01ed2a45b7ddb9d308ef71450e7f [0,2,0,0,0,0|0,1,1]=4 51 B9R1.7 Cc1ccc(s1)NCF 5db800a47823e0633ec93352d97a19cb [0,2,0,0,0,0|0,1,0]=3 52 B9R1.7 Cc1ccc(s1)NCO 00e2af5e98f8ffe71855be0007a81a6f [0,2,0,0,0,0|0,1,0]=3 53 B9R1.7 Cc1cnc([nH]1)NCF 0f06d13c72316e77041575cdb911d843 [0,2,0,0,0,0|2,0,0]=4 54 B9R1.7 Cc1cnc([nH]1)NCO e10ce84d07efbe0d88a0303e82b34252 [0,2,0,0,0,0|2,0,0]=4 55 B9R1.7 Cc1cnc(o1)NC=O cfd6ebc730ca2ded602ff2e8f15b7668 [0,2,0,0,0,0|1,0,1]=4 56 B9R1.7 Cc1cnc(o1)NCF 944c667424fa7a587182482cf2da5615 [0,2,0,0,0,0|1,0,0]=3 57 B9R1.7 Cc1cnc(o1)NCO 9d3768940882696bf956725be6113a23 [0,2,0,0,0,0|1,0,0]=3 58 B9R1.7 Cc1cnc(s1)NCF 2f030d3d8b66234a8b19c2c6b87c6649 [0,2,0,0,0,0|1,1,0]=4 59 B9R1.7 Cc1cnc(s1)NCO b7fdb9bbd75724cde40c4c0f439de7e1 [0,2,0,0,0,0|1,1,0]=4 60 B9R1.7 Cc1coc(n1)NCF 69e9506e9aa2e7b6563bdfca547452da [0,2,0,0,0,0|2,0,0]=4 61 B9R1.7 Cc1coc(n1)NCO 3a43687417434d8f95f551a0aabe36fb [0,2,0,0,0,0|2,0,0]=4 62 B9R1.7 Cc1csc(c1)OCF 4344daeca24473558f3bc491c442b44a [0,2,0,0,0,0|2,0,0]=4 63 B9R1.7 Cc1csc(n1)NCF 23e76ce5ab61abd00c1d11056542d85d [0,2,0,0,0,0|2,0,0]=4 64 B9R1.7 Cc1csc(n1)NCO fbd4147082d1d48ebce5e0701647b9b9 [0,2,0,0,0,0|2,0,0]=4 65 B9R1.7 Cc1ncc(o1)NC=O 594291c6d8efef3a72f3614adbbcb38d [0,2,0,0,0,0|1,0,1]=4 66 B9R1.7 Cc1ncc(o1)NCF 100609943c408a5007543f16c70987b0 [0,2,0,0,0,0|1,0,0]=3 67 B9R1.7 Cc1ncc(o1)NCO 2ed7cecb25e96ca1af6f4fcac58c786f [0,2,0,0,0,0|1,0,0]=3 68 B9R1.7 Cc1ncc(s1)NCF 9e96fbddb436c3ee7eca123d5a19acce [0,2,0,0,0,0|1,1,0]=4 69 B9R1.7 Cc1ncc(s1)NCO 3475e89217242ecce2a31d6dc9047a7d [0,2,0,0,0,0|1,1,0]=4 70 B9R1.7 Cc1nnc(o1)NCF ace10d7b2ae9dbd747c5b4f79634fc8b [0,2,0,0,0,0|2,0,0]=4 71 B9R1.7 Cn1ccc(n1)NCF 28b22ed14e3b17d0436fbc5ac12d8c66 [0,2,0,0,0,0|2,0,0]=4 72 B9R1.7 Cn1ccc(n1)NCO c20cd836b761499fbe74f79681d8584c [0,2,0,0,0,0|2,0,0]=4 73 B9R1.7 Cn1ccc(n1)OCF 1b560c616a72edb01aa80ee1df92011c [0,2,0,0,0,0|2,0,0]=4 74 B9R1.7 FCNc1ccc(s1)Br 12fdb9cd11d7dc8244edcc516c654f6d [0,2,0,0,0,0|1,1,0]=4 75 B9R1.7 FCOc1ccc(s1)Br 577138bffe4f5b72a8302081d5374964 [0,2,0,0,0,0|1,1,0]=4 76 B9R1.7 O=C1C=CC(O1)OCF 854166bbbf25e5d5b8db2221f93769c5 [0,2,0,0,0,0|1,0,1]=4 77 B9R1.7 OCNc1ccc(s1)Br aa4dc4257fd9f4315f24935017c46f91 [0,2,0,0,0,0|1,1,0]=4