0 B28R3.100698697 COc1cc2ncc(c(c2cc1OC)Cl)NC(=S)NCC(=O)NC3CC3 dbfcbe1be8f151a484d4e10a04207cdb [0,0,0,0,0,0|3,1,0]=4 1 B28R3.100698697 COc1cc2ncn(c(=O)c2cc1OC)CC(=O)NCC(=O)NC3CC3 b7aeb355a6e0bcd2362d4ad406b14502 [0,0,0,0,0,0|0,0,0]=0 2 B27R3.67619223 COc1cc2cc(cnc2cc1OC)NC(=S)NCC(=O)NC3CC3 bcd1a3ff66c327233b9e17b758deec53 [1,0,0,0,0,0|2,1,0]=4 3 B27R3.70967109 COc1cc2ncn(c(=O)c2cc1OC)CC(=O)NCCOC3CC3 544c7cdbb468938b2661f540fd24815a [1,0,0,0,0,0|1,0,1]=3 4 B29R3.160468036 COc1cc2ncc(c(c2cc1OC)Cl)NC(=O)N(C)CC(=O)NC3CC3 52c8601fb2a50c18a1eb574d69dc4668 [0,1,0,0,0,0|3,0,0]=4 5 B29R3.160468036 COc1cc2ncn(c(=O)c2cc1OC)CC(=O)N(C)CC(=O)NC3CC3 e147db761903c31b964a72508b874ca0 [0,1,0,0,0,0|0,0,0]=1 6 B29R3.160468038 COc1cc2ncn(c(=O)c2cc1OC)CC(=O)NC(C)C(=O)NC3CC3 c64125c349384fd8fd9ff75db97c8ca4 [0,1,0,0,0,0|0,0,0]=1 7 B29R3.1016464542 COc1cc2ncn(c(=O)c2cc1OC)CC(=O)NCC(CO)CC3CC3 19696f70b74997ed04bda0b358fe814e [0,1,0,0,0,0|1,0,2]=4 8 B27R2.49251913 COc1cc2ncc(c(c2cc1OC)Cl)NC(=O)NCC(=O)NC(C)C 10adb972b20219f5f543053016aea56f [0,0,1,0,0,0|3,0,0]=4 9 B27R2.49251913 COc1cc2ncn(c(=O)c2cc1OC)CC(=O)NCC(=O)NC(C)C 1e8cc8d3b8b25420259541d28df4bd3d [0,0,1,0,0,0|0,0,0]=1 10 B27R2.49251913 COc1cc2ncn(c(=O)c2cc1OC)CC(=O)NCC(O)CC(C)C e821c2bf445d08099ffa5556b5266d44 [0,0,1,0,0,0|1,0,2]=4 11 B27R2.1286540096 COc1cc(c(cc1OC)C(=O)CCC(=O)NCC(=O)NC2CC2)OC bdb4ad592d9ad99147044129392dcc77 [0,0,1,0,0,0|2,0,1]=4 12 B27R2.1396130510 CCCCC(O)CNC(=O)Cn1cnc2cc(c(cc2c1=O)OC)OC 902e8262f30d74ba530ec328466f0007 [0,0,1,0,0,0|1,0,2]=4 13 B27R2.1396130510 CCCNC(=O)CNC(=O)Cn1cnc2cc(c(cc2c1=O)OC)OC 43433faaf41f1016d0421e4658201eb2 [0,0,1,0,0,0|0,0,0]=1 14 B27R2.1396130510 COc1cc2ncn(c(=O)c2cc1OC)CC(=O)NCC(=O)NCCO 925f09aca021730612e40e8720c59f72 [0,0,1,0,0,0|1,0,0]=2 15 B29R4.584558534 COc1cc2ncn(c(=O)c2cc1OC)CC(=O)N3CC(C3)OC4CC4 b5c737ed0f1376181a83b078504a696a [0,0,0,1,0,0|2,0,1]=4 16 B29R4.584558548 COc1cc2ncn(c(=O)c2cc1OC)CC(=O)NCC3CC4(C3)CC4 073e1495ef21e273fba7b1f6af051d67 [0,0,0,1,0,0|2,0,1]=4 17 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B28R2.2002005664 CCCCNC(=O)CNC(=O)Cn1cnc2cc(c(cc2c1=O)OC)OC 7a7dde349dadabff5321886ac8a41c4e [0,1,1,0,0,0|0,0,0]=2 35 B28R2.9397904054 CCCNC(=O)C(C)NC(=O)Cn1cnc2cc(c(cc2c1=O)OC)OC 5c445277f869b1f8b8fa352f2d557e20 [0,1,1,0,0,0|0,0,0]=2 36 B28R2.9397904054 CCCOC(=O)C(C)NC(=O)Cn1cnc2cc(c(cc2c1=O)OC)OC a88db4cfd1d135d9f6560a4dea0a04bd [0,1,1,0,0,0|1,0,0]=3 37 B28R2.9397904054 CCCOC(=O)[C@H](C)NC(=O)Cn1cnc2cc(c(cc2c1=O)OC)OC 30cf5a4409f6fb249169436ebcb8918f [0,1,1,0,0,0|1,0,0]=3 38 B28R3.96475146 COc1cc2cc(cnc2cc1OC)NC(=O)N(C)CC(=O)NC3CC3 033700e87acdf1b664a2d277cc188c80 [1,1,0,0,0,0|2,0,0]=4 39 B28R3.223067124 COc1cc2[nH]c(=O)n(c(=O)c2cc1OC)CCNCC(=O)NC3CC3 13beac541c2d6d72d679128004d87191 [1,1,0,0,0,0|0,0,2]=4 40 B28R3.100702099 COc1cc2ncc(c(c2cc1OC)Cl)C(=O)N(C)CC(=O)NC3CC3 d8146bf1667fe19a8a9b35944e03a349 [0,1,0,0,1,0|2,0,0]=4 41 B28R3.100702101 COc1cc2ncc(c(c2cc1OC)Cl)C(=O)NC(C)C(=O)NC3CC3 e4687831ec720ffb69fa8248c87e479d [0,1,0,0,1,0|2,0,0]=4 42 B28R3.648118568 COc1cc2ncn(c(=O)c2cc1OC)CC(=O)NCC(C)(O)C3CC3 d95bcff6c17d6f37b29e12c62c1d7584 [0,1,0,0,1,0|0,0,2]=4 43 B30R3.1030788935 COc1cc2ncn(c(=O)c2cc1OC)CCC(=O)N(C)CC(=O)NC3CC3 23fad29d22e2950e22ebaba52406c7ae [0,1,0,0,0,1|0,0,0]=2 44 B30R3.1030788937 COc1cc2ncn(c(=O)c2cc1OC)CCC(=O)NC(C)C(=O)NC3CC3 629ba78a55c98100c2fd90512d057793 [0,1,0,0,0,1|0,0,0]=2 45 B30R3.205633239 COc1cc2ncn(c(=O)c2cc1OC)CC(=O)NCCS(=O)(=O)NC3CC3 68618a3f998887bd64be87759ea80382 [0,1,0,0,0,1|1,0,0]=3 46 B30R3.205633356 COc1cc2ncn(c(=O)c2cc1OC)CC(=O)NCCC(=O)N(C)C3CC3 b80cdf2a5e5474cc32a8a248959f9b5e [0,1,0,0,0,1|0,0,0]=2 47 B28R3.648123747 COc1cc2ncn(c(=O)c2cc1OC)CC(=O)N3CC(=O)NC(=O)C3 f7b325a4d78eea1856bbe5239904e960 [0,0,1,1,0,0|1,0,1]=4 48 B28R3.648123747 COc1cc2ncn(c(=O)c2cc1OC)CC(=O)N3CC(=O)NC(C3)C 7842f9c47ef1ef8d985b48e0c354661f [0,0,1,1,0,0|0,0,0]=2 49 B28R3.648123747 COc1cc2ncn(c(=O)c2cc1OC)CC(=O)N3CC(=O)N[C@@H](C3)C cfe2155c80019cf049da113676f9394e [0,0,1,1,0,0|0,0,0]=2 50 B28R3.648123747 COc1cc2ncn(c(=O)c2cc1OC)CC(=O)N3CC(=O)N[C@H](C3)C 284b3e6cf60aa3b5736bddc8475fefe6 [0,0,1,1,0,0|0,0,0]=2 51 B28R3.648123788 COc1cc2ncn(c(=O)c2cc1OC)CC(=O)NC3CC(=O)NC3=O afb4214ca39dd734bd6607d4e4d541a5 [0,0,1,1,0,0|1,0,1]=4 52 B28R3.648123788 COc1cc2ncn(c(=O)c2cc1OC)CC(=O)N[C@@H]3CC(=O)NC3=O 3643b907e7d96b5dae9c3f123f6781c5 [0,0,1,1,0,0|1,0,1]=4 53 B28R3.648123788 COc1cc2ncn(c(=O)c2cc1OC)CC(=O)N[C@H]3CC(=O)NC3=O be213dd8d42c2bcdaa44148cec5bf74c [0,0,1,1,0,0|1,0,1]=4 54 B28R3.651001 COc1cc2ncn(c(=O)c2cc1OC)CC(=O)NCC3=CCCCC3 fed5986422112f461950d9b629e05f97 [0,0,1,1,0,0|2,0,0]=4 55 B28R3.651705 COc1cc2ncn(c(=O)c2cc1OC)CC(=O)NC3CCCNC3=O 2d83110c764d85a452cd183d6891974f [0,0,1,1,0,0|0,0,0]=2 56 B28R3.651705 COc1cc2ncn(c(=O)c2cc1OC)CC(=O)N[C@@H]3CCCNC3=O c79dc9eea837f25446a6ca089054b94f [0,0,1,1,0,0|0,0,0]=2 57 B28R3.651705 COc1cc2ncn(c(=O)c2cc1OC)CC(=O)N[C@H]3CCCNC3=O f3357b777dcc401a867212cefb6795ae [0,0,1,1,0,0|0,0,0]=2 58 B28R3.100701947 COc1cc2ncn(c(=O)c2cc1OC)CC(=O)N3CCCNC(=O)C3 bf5fb4d36da5fb78baadc3c48fad98e5 [0,0,1,1,0,0|0,0,0]=2 59 B28R3.100701986 COc1cc2ncn(c(=O)c2cc1OC)CC(=O)N3CC(=O)NCC3C 7bf210ba56e510666bcbdc7780c97bf1 [0,0,1,1,0,0|0,0,0]=2 60 B28R3.100701986 COc1cc2ncn(c(=O)c2cc1OC)CC(=O)N3CC(=O)NC[C@@H]3C 08d13af9bc42cd3f43a937a71b53409a [0,0,1,1,0,0|0,0,0]=2 61 B28R3.100701986 COc1cc2ncn(c(=O)c2cc1OC)CC(=O)N3CC(=O)NC[C@H]3C f9f373be91b563424a32953a91b21758 [0,0,1,1,0,0|0,0,0]=2 62 B28R3.648123847 COc1cc2ncn(c(=O)c2cc1OC)CC(=O)N[C@@H]3C(=O)NC[C@H]3O 295e8fed8258bda1776265af16eb6d7c [0,0,1,1,0,0|1,0,0]=3 63 B28R4.59602945 COc1cc2ncn(c(=O)c2cc1OC)CC(=O)N3CCOC4C3C4 61bc88bfe757057daf8fb2e7de669770 [1,0,0,1,0,0|1,0,1]=4 64 B30R4.351556944 COc1cc2ncn(c(=O)c2cc1OC)CC(=O)N3CC(=O)NCC34CC4 5e5692a4912aa0dbfe174dbd89bdea80 [0,0,0,1,0,1|0,0,0]=2 65 B30R4.1438367962 COc1cc2ncn(c(=O)c2cc1OC)CC(=O)N3CC(=O)NC4(C3)CC4 d40eb28492f12afb5005026eef8a71bc [0,1,0,1,0,0|0,0,0]=2 66 B26R2.35606400 COc1cc2ncn(c(=O)c2cc1OC)CC(=O)NCC(=O)N(C)C 4be51e8e92bf1effaed2954e1fb54d6d [0,0,1,0,1,0|1,0,0]=3 67 B26R2.35606400 COc1cc2ncn(c(=O)c2cc1OC)CC(=O)NCC(O)C(C)C 7b682c7ea10b2b915f0737879678246d [0,0,1,0,1,0|0,0,2]=4 68 B26R2.35606411 COc1cc2ncc(c(c2cc1OC)Cl)C(=O)NCC(=O)NC(C)C 145e4da47587c230f9a35e6b5d7b61ed [0,0,1,0,1,0|2,0,0]=4 69 B26R2.915468177 CCCNC(=O)CNC(=O)c1cnc2cc(c(cc2c1Cl)OC)OC 9d68798c49bba4a3fe7e4b794929ea14 [0,0,1,0,1,0|2,0,0]=4 70 B26R3.63604465 COc1cc2ncn(c(=O)c2cc1OC)CCCC(=O)NC3CC3 ff6a241c146200d76d0a32b5b1337520 [1,0,0,0,1,0|0,0,1]=3 71 B26R3.63604496 COc1cc2ncn(c(=O)c2cc1OC)CC(=O)NCCC3CC3 42f325cbaf2b4e6c76ff89052abd677d [1,0,0,0,1,0|0,0,1]=3 72 B26R3.63604496 COc1cc2ncn(c(=O)c2cc1OC)CC(=O)NCCN3CC3 265eebf656d0acb3297485a8452a0ee8 [1,0,0,0,1,0|1,0,1]=4 73 B26R3.63605152 COc1cc2ncn(c(=O)c2cc1OC)CC(=O)N[C@@H](C)C3CC3 2f363d6ccee33ddb6301b2257ed05a6f [0,0,0,0,2,0|1,0,1]=4 74 B26R3.63605152 COc1cc2ncn(c(=O)c2cc1OC)CC(=O)N[C@H](C)C3CC3 4bc5b841badb083c34e65bcc940056e1 [0,0,0,0,2,0|1,0,1]=4 75 B28R2.67984228 COc1cc2ncn(c(=O)c2cc1OC)CCC(=O)NCC(=O)NC(C)C 07c8b79378944192c8156496a2798aea [0,0,1,0,0,1|0,0,0]=2 76 B28R2.4434498558 CCCNC(=O)CNC(=O)CCn1cnc2cc(c(cc2c1=O)OC)OC 96022af5b7385c60f47b26f1bfaadd5a [0,0,1,0,0,1|0,0,0]=2 77 B28R2.4434498558 COc1cc2ncn(c(=O)c2cc1OC)CCC(=O)NCC(=O)NCCO b74d58aab799bd58236ac8f6cd8d5407 [0,0,1,0,0,1|1,0,0]=3 78 B28R3.100701962 COc1cc2ncn(c(=O)c2cc1OC)CC(=O)NCCSCC3CC3 cd697559fd2294a7313b6e9bcdfdd426 [1,0,0,0,0,1|1,0,1]=4 79 B28R3.648047415 COc1cc2ncn(c(=O)c2cc1OC)CCC(=O)NCCOC3CC3 74f1c0735d49be42d5445e935e2f0c68 [1,0,0,0,0,1|1,0,1]=4 80 B28R3.100702115 COc1cc2ncc(c(c2cc1OC)Cl)C(=O)NCC(=O)NC3CCC3 5a6f9f87323b1c85fd71fc24678cf3d2 [0,0,0,0,1,1|2,0,0]=4 81 B28R3.100700378 COc1cc2ncn(c(=O)c2cc1OC)CCC(=O)NCC(O)C3CC3 069595e3b8ee29949f3c62293ed2f374 [0,0,0,0,1,1|0,0,2]=4 82 B30R3.205627945 COc1cc2ncn(c(=O)c2cc1OC)CCC(=O)NCC(=O)NC3CCC3 cdd22b24998ea2a591738030e64e114d [0,0,0,0,0,2|0,0,0]=2 83 B30R3.1030791554 COc1cc2ncn(c(=O)c2cc1OC)CCCC(=O)NCC(=O)NC3CC3 040a1d488fc02e0e39689b00cc5230e0 [0,0,0,0,0,2|0,0,0]=2 84 B30R3.13878544 COc1cc2ncn(c(=O)c2cc1OC)CC(=O)NCC(=O)NC3CCCC3 ccda631663dd6d8aaedf64d200b04a5d [0,0,0,0,0,2|0,0,0]=2 85 B30R3.13878544 COc1cc2ncn(c(=O)c2cc1OC)CC(=O)NCC(=O)OC3CCCC3 0d94563465fc171077157a48ea87bf15 [0,0,0,0,0,2|1,0,0]=3