0 B39R4.7233720290 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NCC(=O)c4ccc(c(c4)Br)F bde6b8ad8174f4c49d05c121b2e8a389 [0,0,1,0,0,0|1,1,1]=4 1 B39R4.7233720290 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NCC(=O)c4ccc(c(c4)C)F 511b57303b4d16f01d75346d60773cad [0,0,1,0,0,0|2,0,1]=4 2 B39R4.7233720290 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NCC(=O)c4ccc(c(c4)Cl)F d144efb1eae6e21a715e14f84c951110 [0,0,1,0,0,0|1,1,1]=4 3 B39R4.7233720290 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NCC(=O)c4ccc(c(c4)F)C 912b3ab945388e73b8603aa0fb9a21f0 [0,0,1,0,0,0|2,0,1]=4 4 B39R4.7233720290 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NCC(=O)c4ccc(c(c4)F)Cl 43ca61fa141a7aa6f1c24ec5ee4b9b56 [0,0,1,0,0,0|1,1,1]=4 5 B39R4.7233720290 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NCC(=O)c4ccc(c(c4)F)F 6b35a01899f57f32b216013119dc02ac [0,0,1,0,0,0|1,0,1]=3 6 B39R4.7233720290 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NCC(O)c4ccc(c(c4)Cl)Cl 42a6092056e290cea2deaf60b437772e [0,0,1,0,0,0|1,2,0]=4 7 B39R4.7233720290 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NCC(O)c4ccc(c(c4)F)F 6a70d32dafbebd5473f0304b3b1de64f [0,0,1,0,0,0|1,0,0]=2 8 B39R4.7233720290 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NC[C@@H](O)c4ccc(c(c4)Cl)Cl 374f99338665cfcb3fc30621aa0c34d9 [0,0,1,0,0,0|1,2,0]=4 9 B39R4.7233720290 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NC[C@@H](O)c4ccc(c(c4)F)F 908f0e38fbe4d557aef3d2c0bea37dea [0,0,1,0,0,0|1,0,0]=2 10 B39R4.7233720290 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NC[C@H](O)c4ccc(c(c4)F)F 8e2ab61410ecfad9b6033d7193ea8bab [0,0,1,0,0,0|1,0,0]=2 11 B39R4.7233720300 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NCCCc4ccc(c(c4)F)F a1d263a6239b32885dffb690f8c899ad [0,0,1,0,0,0|0,0,0]=1 12 B39R4.7233720300 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NCCOc4ccc(c(c4)C)Br d5eb79c52b7e3f1b2a1db06503325834 [0,0,1,0,0,0|2,1,0]=4 13 B39R4.7233720300 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NCCOc4ccc(c(c4)C)C 4872f5b29bf7d7df49d28bec07eda0cd [0,0,1,0,0,0|3,0,0]=4 14 B39R4.7233720300 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NCCOc4ccc(c(c4)Cl)Cl 597b286f645319df43818968952681a6 [0,0,1,0,0,0|1,2,0]=4 15 B39R4.7233720300 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NCCOc4ccc(c(c4)Cl)F 4fc9f329a0f0aabef79b18302ef08582 [0,0,1,0,0,0|1,1,0]=3 16 B39R4.7233720300 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NCCOc4ccc(c(c4)F)Br aee13e8224b7b78c211e14d9f7efcce4 [0,0,1,0,0,0|1,1,0]=3 17 B39R4.7233720390 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NC(=O)Cc4ccc(c(c4)Br)F 64703c0716d91b45254684c0c4e5d523 [0,0,1,0,0,0|1,1,1]=4 18 B39R4.7233720390 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NC(=O)Cc4ccc(c(c4)C)F f782aad5f3de6742167d3a7c78f4cb13 [0,0,1,0,0,0|2,0,1]=4 19 B39R4.7233720390 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NC(=O)Cc4ccc(c(c4)Cl)F 8f42ac36202d9fe2fb664fa5b23f2a17 [0,0,1,0,0,0|1,1,1]=4 20 B39R4.7233720390 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NC(=O)Cc4ccc(c(c4)F)Br 409c02bbc2429ccf84c4d0fefbb64334 [0,0,1,0,0,0|1,1,1]=4 21 B39R4.7233720390 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NC(=O)Cc4ccc(c(c4)F)C bf70ffb29a3d921aef2d0f80d2006d83 [0,0,1,0,0,0|2,0,1]=4 22 B39R4.7233720390 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NC(=O)Cc4ccc(c(c4)F)Cl 06aabb0134e330928f101fa976815b76 [0,0,1,0,0,0|1,1,1]=4 23 B39R4.7233720390 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NC(=O)Cc4ccc(c(c4)F)F dc2ca1383a3b81c1da0b350b87857996 [0,0,1,0,0,0|1,0,1]=3 24 B39R4.7233720390 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NC(=O)Cc4ccc(c(c4)F)O 5786eef79624c459f982620c1646ebb8 [0,0,1,0,0,0|2,0,1]=4 25 B39R4.7233720390 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NC(=O)Cc4ccc(c(c4)O)F 03699701814edb5aa3e307904ee22b79 [0,0,1,0,0,0|2,0,1]=4 26 B39R4.7233720390 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NC(=O)Nc4ccc(c(c4)F)F f2bc292a3bb4e465a63ffa6ae223d96f [0,0,1,0,0,0|2,0,1]=4 27 B39R4.7233720390 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NC(=S)Nc4ccc(c(c4)F)F 84e2dd16ca2204f81f6628493c3021f5 [0,0,1,0,0,0|2,0,1]=4 28 B38R4.6383679773 CCCSc1nc(c(c(n1)N[C@@H]2C[C@@H]([C@H]([C@H]2O)O)OCCO)N)N[C@H]3C[C@@H]3c4ccc(c(c4)F)F fc4e8e15ae7c0cde6a4e26e4cf52eac0 [1,0,1,0,0,0|0,0,1]=3 29 B38R4.6383679773 CCCSc1nc(c(c(n1)N[C@@H]2C[C@H]2c3ccc(c(c3)F)F)N)N[C@@H]4C[C@@H]([C@H]([C@H]4O)O)OCCO 9f71464255243b762bdc98132e6e7341 [1,0,1,0,0,0|0,0,1]=3 30 B38R4.2857402301 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NCC(=O)c4ccc(cc4)F 769bd4d107a49aaa8171df3081168b9a [1,0,1,0,0,0|1,0,1]=4 31 B38R4.2857402301 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NCC(F)c4ccc(cc4)Br 3d6f26dbf7e11646c2b724a700f9e36f [1,0,1,0,0,0|1,1,0]=4 32 B38R4.2857402301 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NCC(O)c4ccc(cc4)Br 9d718fcae3db2a9c4d9cff2b97e4e73c [1,0,1,0,0,0|1,1,0]=4 33 B38R4.2857402301 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NCC(O)c4ccc(cc4)Cl 065039e5f021c76dc90b635d310221a9 [1,0,1,0,0,0|1,1,0]=4 34 B38R4.2857402301 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NC[C@@H](O)c4ccc(cc4)Br 2c1cc4dd0a1d7887397aa2b72bb18325 [1,0,1,0,0,0|1,1,0]=4 35 B38R4.2857402301 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NC[C@@H](O)c4ccc(cc4)C 05de00b92232ee4e8d471b42592a23ea [1,0,1,0,0,0|2,0,0]=4 36 B38R4.2857402301 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NC[C@@H](O)c4ccc(cc4)Cl ff8373ee0d556ffa8bfef6883695a20c [1,0,1,0,0,0|1,1,0]=4 37 B38R4.2857402301 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NC[C@@H](O)c4ccc(cc4)F dc814f37b03d14ad90cad5183b3d2a48 [1,0,1,0,0,0|1,0,0]=3 38 B38R4.2857402301 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NC[C@H](O)c4ccc(cc4)Br d9066350eff46a6a2f984cf290377e9c [1,0,1,0,0,0|1,1,0]=4 39 B38R4.2857402301 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NC[C@H](O)c4ccc(cc4)Cl ab0f73bea5daaffbff5a981df727a3f4 [1,0,1,0,0,0|1,1,0]=4 40 B38R4.2857402301 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NC[C@H](O)c4ccc(cc4)F 9a274c160a976211f2af7656f8ffd0a4 [1,0,1,0,0,0|1,0,0]=3 41 B38R4.5048975270 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NCC(=O)c4cccc(c4)F 7161d17f646654db6f2c7bad44807146 [1,0,1,0,0,0|1,0,1]=4 42 B38R4.5048975270 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NCC(O)c4cccc(c4)Cl 7dc2278525c2842b4f00e97b16315b4a [1,0,1,0,0,0|1,1,0]=4 43 B38R4.5048975270 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NC[C@H](O)c4cccc(c4)Cl 5bfd291e257c4bc52f05e7d8ba4039fc [1,0,1,0,0,0|1,1,0]=4 44 B38R4.9381309031 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NCCc4ccc(c(c4)Cl)Cl ea5388a8066505409d0cd30e22bf440d [1,0,1,0,0,0|0,2,0]=4 45 B38R4.9381309031 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NCCc4ccc(c(c4)Cl)F 95a5d0d7a9c710629eca972610f2fafa [1,0,1,0,0,0|0,1,0]=3 46 B38R4.9381309031 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NCCc4ccc(c(c4)F)F b489708f1d856892e35ff938cec91078 [1,0,1,0,0,0|0,0,0]=2 47 B38R4.5048975256 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NC/C=C/c4ccc(cc4)F 05bfb233c81d720d2a3a5e6b5fad788d [1,0,1,0,0,0|0,0,2]=4 48 B38R4.5048975256 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NCCCc4ccc(cc4)Br fa352a5fa59e9e498e42bdf92ced40cb [1,0,1,0,0,0|0,1,0]=3 49 B38R4.5048975256 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NCCCc4ccc(cc4)C 3e4251c76aa749a8b8ae7222044a6133 [1,0,1,0,0,0|1,0,0]=3 50 B38R4.5048975256 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NCCCc4ccc(cc4)Cl 051095c9125372bad603792ee2f5c138 [1,0,1,0,0,0|0,1,0]=3 51 B38R4.5048975256 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NCCCc4ccc(cc4)F a70bd2bd3a5d5972d0aa512e37239ff4 [1,0,1,0,0,0|0,0,0]=2 52 B38R4.5048975256 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NCCOc4ccc(cc4)Br 505dfda084ad7c0bbd4f8c9c8b91b96a [1,0,1,0,0,0|1,1,0]=4 53 B38R4.5048975256 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NCCOc4ccc(cc4)C ecd28680893771c46c3ec914097450be [1,0,1,0,0,0|2,0,0]=4 54 B38R4.5048975256 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NCCOc4ccc(cc4)Cl 72a7ec9f90d3e0057e237dfe94f5fc52 [1,0,1,0,0,0|1,1,0]=4 55 B38R4.5048975256 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NCCOc4ccc(cc4)F 2b6f0402910273bafc10fdeb97397837 [1,0,1,0,0,0|1,0,0]=3 56 B38R4.5048975256 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NCCSc4ccc(cc4)Cl 81e987ae7a46970a7d943cc195969793 [1,0,1,0,0,0|1,1,0]=4 57 B38R4.5048975256 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NCCSc4ccc(cc4)F 2c1cea8e1d60d6bed59fbe320bef0cab [1,0,1,0,0,0|1,0,0]=3 58 B38R4.7451087184 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NCCCc4cccc(c4)Br 7f6ebe90066eab82977dc2c85bc0e1a7 [1,0,1,0,0,0|0,1,0]=3 59 B38R4.7451087184 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NCCCc4cccc(c4)Cl 2fe14f82a4307c3ed92b65924d44a6f9 [1,0,1,0,0,0|0,1,0]=3 60 B38R4.7451087184 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NCCCc4cccc(c4)F 9dabaa2dbde0f5352eab7f487a75c0ad [1,0,1,0,0,0|0,0,0]=2 61 B38R4.7451087184 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NCCOc4cccc(c4)Br e9f09a7344babeedf316aa5a951e2bc0 [1,0,1,0,0,0|1,1,0]=4 62 B38R4.7451087184 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NCCOc4cccc(c4)C c021c8c083a23ec57eb745954f802f37 [1,0,1,0,0,0|2,0,0]=4 63 B38R4.7451087184 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NCCOc4cccc(c4)Cl b63d9d7462015352a83534b0f44bc31d [1,0,1,0,0,0|1,1,0]=4 64 B38R4.7451087184 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NCCOc4cccc(c4)F eaee6ed732f1ee387decbacf7034350d [1,0,1,0,0,0|1,0,0]=3 65 B38R4.7451087184 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NCCSc4cccc(c4)Br 462021c25f637676567c352771985bdf [1,0,1,0,0,0|1,1,0]=4 66 B38R4.5048975257 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NC(=O)Cc4ccc(cc4)F 258b6b9e168469473b227ed7a465f102 [1,0,1,0,0,0|1,0,1]=4 67 B38R4.7451087188 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NC(=O)Cc4cccc(c4)F 269b2ea1a29e501d404d67aaaf8c72f8 [1,0,1,0,0,0|1,0,1]=4 68 B40R4.3887884993 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NCC(=O)c4cc(c(c(c4)F)F)F e349e1dd4ede8354b694088c290992bf [0,1,1,0,0,0|1,0,1]=4 69 B40R4.7546635362 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NCC(=O)c4ccc(c(c4F)F)F b9a360a1b983d5dc7b73d67babab5339 [0,1,1,0,0,0|1,0,1]=4 70 B40R4.7546635367 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NCC(=O)c4cc(c(cc4F)F)F 00e66ab52cc627a3abf7337d92c92257 [0,1,1,0,0,0|1,0,1]=4 71 B40R4.8652428305 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NC(=O)C(C)c4ccc(c(c4)F)F 0368f199a4e54f7d2f113a18bb27af37 [0,1,1,0,0,0|0,0,1]=3 72 B40R4.8652428305 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NC(=O)C(O)c4ccc(c(c4)F)F 4766cfecbcb7d433854cf3f04bac8d2b [0,1,1,0,0,0|1,0,1]=4 73 B40R4.5859239701 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NCCOc4cc(c(c(c4)F)F)F 47db1b78b889bfcb63fcfa7a8be56ff5 [0,1,1,0,0,0|1,0,0]=3 74 B40R4.7546635370 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NCC(=O)Nc4ccc(c(c4)F)F 2f3764e53a05f5b33e47a863280f4d05 [0,1,1,0,0,0|1,0,1]=4 75 B40R4.8652430057 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NCC[C@@H](O)c4ccc(c(c4)Cl)Cl ecf912ee577c83e6803b691fd346d45b [0,1,1,0,0,0|0,2,0]=4 76 B40R4.8652430063 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NC(=O)CCc4ccc(c(c4)Br)F dc8581f342d150e411750d1af08b3eb3 [0,1,1,0,0,0|0,1,1]=4 77 B40R4.8652430063 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NC(=O)CCc4ccc(c(c4)C)F 382d837251aa91838dc158d2cb05197e [0,1,1,0,0,0|1,0,1]=4 78 B40R4.8652430063 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NC(=O)CCc4ccc(c(c4)Cl)F 6ed76e822875fbec0940099ee0a8860b [0,1,1,0,0,0|0,1,1]=4 79 B40R4.8652430063 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NC(=O)CCc4ccc(c(c4)F)Br 24c6d898daaf04ce2fb7145ca5f386de [0,1,1,0,0,0|0,1,1]=4 80 B40R4.8652430063 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NC(=O)CCc4ccc(c(c4)F)C 4db8950b7a3f067c2024277eba13fdbd [0,1,1,0,0,0|1,0,1]=4 81 B40R4.8652430063 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NC(=O)CCc4ccc(c(c4)F)Cl 64d023137f482bd929190e332860aeb2 [0,1,1,0,0,0|0,1,1]=4 82 B40R4.8652430063 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NC(=O)CCc4ccc(c(c4)F)F e1f176ba5f6f4e230d535b36d6e9c514 [0,1,1,0,0,0|0,0,1]=3 83 B40R4.8652430063 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NC(=O)CCc4ccc(c(c4)F)O f1809fa5c3f5a605131a4b9376af393f [0,1,1,0,0,0|1,0,1]=4 84 B40R4.8652430063 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NC(=O)COc4ccc(c(c4)F)F d4369687814995aef8a4ff4376914878 [0,1,1,0,0,0|1,0,1]=4 85 B40R4.8652430063 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NC(=O)CSc4ccc(c(c4)F)F bbdf7a375eac6f63473a9cd83dc6c9ff [0,1,1,0,0,0|1,0,1]=4 86 B40R4.8652430063 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NC(=O)NCc4ccc(c(c4)F)F 1e92d20eabd5c4fd4254d80399cb9140 [0,1,1,0,0,0|1,0,1]=4 87 B40R4.8652430063 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NC(=S)NCc4ccc(c(c4)F)F b6c331b76daffccb993ef0519ce7cb86 [0,1,1,0,0,0|1,0,1]=4 88 B40R4.5859239713 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NC(=O)Cc4cc(c(c(c4)Cl)F)F 78ae8d66af0256ec20034691f87e6a94 [0,1,1,0,0,0|1,0,1]=4 89 B40R4.5859239713 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NC(=O)Cc4cc(c(c(c4)F)F)F 6b1f8136e4b1ec7dd45f6858734ca6a8 [0,1,1,0,0,0|1,0,1]=4 90 B40R4.7546635507 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NC(=O)Cc4ccc(c(c4Cl)F)F 75957ea745cba27cad9bb56bf09a9e24 [0,1,1,0,0,0|1,0,1]=4 91 B40R4.7546635507 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NC(=O)Cc4ccc(c(c4F)F)F 29237fb6916b058d8db90834d2f1a6f0 [0,1,1,0,0,0|1,0,1]=4 92 B40R4.7546635515 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NC(=O)Cc4cc(c(cc4Cl)F)F 589e5a01441dbcf9e00dc462b8e0ab33 [0,1,1,0,0,0|1,0,1]=4 93 B40R4.7546635515 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NC(=O)Cc4cc(c(cc4F)F)F b0ddc0a867ff27f6db8b614feeaec8d3 [0,1,1,0,0,0|1,0,1]=4 94 B42R5.4608982320 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)N(C=O)[C@@H]4C[C@H]4c5ccc(c(c5)F)F e5f28a3598fd31e9dea68615a13c89d7 [0,2,0,0,0,0|0,0,0]=2 95 B42R5.4608982320 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)N(C=O)[C@H]4C[C@@H]4c5ccc(c(c5)F)F 17950d9f9acb34b8b6efba478a701f71 [0,2,0,0,0,0|0,0,0]=2 96 B42R5.4608982320 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)N(CC)[C@@H]4C[C@H]4c5ccc(c(c5)F)F e5daa9ef60bfd3e15bffb297cb274719 [0,2,0,0,0,0|0,0,0]=2 97 B42R5.4608982320 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)N(CC)[C@H]4C[C@@H]4c5ccc(c(c5)F)F d09b4b92e017ca96691bd18a9d59b47b [0,2,0,0,0,0|0,0,0]=2 98 B42R5.4608982320 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)N(CF)[C@@H]4C[C@H]4c5ccc(c(c5)F)F 7864691f3533ac7633eaf7ae3ddadb85 [0,2,0,0,0,0|0,0,0]=2 99 B42R5.4608982320 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)N(CF)[C@H]4C[C@@H]4c5ccc(c(c5)F)F 5a586ec1371283925aca8e2faac42a51 [0,2,0,0,0,0|0,0,0]=2 100 B42R5.4608982320 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)N(CO)[C@@H]4C[C@H]4c5ccc(c(c5)F)F 1531201df0bfb831b4db5946c373c1a7 [0,2,0,0,0,0|0,0,0]=2 101 B42R5.4608982320 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)N(CO)[C@H]4C[C@@H]4c5ccc(c(c5)F)F ba49fe3d76c348e09ebb09eedf61af2b [0,2,0,0,0,0|0,0,0]=2 102 B42R5.4608982320 CCCSc1nc(c2nnn(c2n1)[C@H]3C[C@H]([C@@H]([C@@H]3O)O)OCCO)N(C=O)[C@@H]4C[C@H]4c5ccc(c(c5)F)F b6828c44a4481c00e1364d490a18dbd7 [0,2,0,0,0,0|0,0,0]=2 103 B42R5.4608982320 CCCSc1nc(c2nnn(c2n1)[C@H]3C[C@H]([C@@H]([C@@H]3O)O)OCCO)N(C=O)[C@H]4C[C@@H]4c5ccc(c(c5)F)F 7d392bf57555296f693762a29ab2a7aa [0,2,0,0,0,0|0,0,0]=2 104 B42R5.4608982320 CCCSc1nc(c2nnn(c2n1)[C@H]3C[C@H]([C@@H]([C@@H]3O)O)OCCO)N(CC)[C@@H]4C[C@H]4c5ccc(c(c5)F)F a875123df39f96ceed57311ef5ca1354 [0,2,0,0,0,0|0,0,0]=2 105 B42R5.4608982320 CCCSc1nc(c2nnn(c2n1)[C@H]3C[C@H]([C@@H]([C@@H]3O)O)OCCO)N(CC)[C@H]4C[C@@H]4c5ccc(c(c5)F)F 517584578a70dbe9f362701c1dcdb5f6 [0,2,0,0,0,0|0,0,0]=2 106 B42R5.4608982320 CCCSc1nc(c2nnn(c2n1)[C@H]3C[C@H]([C@@H]([C@@H]3O)O)OCCO)N(CF)[C@@H]4C[C@H]4c5ccc(c(c5)F)F 3b5ce9bf83a892ebbeb29fbfe4759e09 [0,2,0,0,0,0|0,0,0]=2 107 B42R5.4608982320 CCCSc1nc(c2nnn(c2n1)[C@H]3C[C@H]([C@@H]([C@@H]3O)O)OCCO)N(CF)[C@H]4C[C@@H]4c5ccc(c(c5)F)F ff8b6237490e0e328ad1ebe02d5b07cf [0,2,0,0,0,0|0,0,0]=2 108 B42R5.4608982320 CCCSc1nc(c2nnn(c2n1)[C@H]3C[C@H]([C@@H]([C@@H]3O)O)OCCO)N(CO)[C@@H]4C[C@H]4c5ccc(c(c5)F)F e5cc15aa8992fa9ac2e9e7a632cebb6e [0,2,0,0,0,0|0,0,0]=2 109 B42R5.4608982320 CCCSc1nc(c2nnn(c2n1)[C@H]3C[C@H]([C@@H]([C@@H]3O)O)OCCO)N(CO)[C@H]4C[C@@H]4c5ccc(c(c5)F)F 4bf508d786d46c75c6d0912172b6274e [0,2,0,0,0,0|0,0,0]=2 110 B38R4.9381309055 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NC(=O)c4ccc(c(c4)F)F 343809026c363a91bdbce31221958a88 [0,0,1,0,1,0|1,0,1]=4 111 B38R4.9381309055 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NC(C)c4ccc(c(c4)F)F 7231689e389b2053b7a71b65ec627700 [0,0,1,0,1,0|0,0,0]=2 112 B40R4.8652430060 CCCSc1nc(c2nnn(c2n1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)NCCCOc4ccc(c(c4)C)C 4735c2218bce71b85dbdf7c72720ca55 [0,0,1,0,0,1|2,0,0]=4