0 B14R1.6449 C=C(C)C(=O)CSCc1ccccc1 1458a_100000185857_200011217039 [0,0,0,0,0,0|3,0,1]=4 1 B14R1.6449 CC(=O)C(=O)CNCc1ccccc1 34a_100015324214_100011261029 [0,0,0,0,0,0|3,0,1]=4 2 B14R1.6449 CC(=O)C(=O)COCc1ccccc1 34a_100000210790_100011261029 [0,0,0,0,0,0|2,1,1]=4 3 B14R1.6449 CC(=O)C(=O)CSCc1ccccc1 62a_100000211182_100011261029 [0,0,0,0,0,0|2,0,1]=3 4 B14R1.6449 CC(=O)C(=O)CSCc1ccccc1 62a_100011261029_100015291786 [0,0,0,0,0,0|2,0,1]=3 5 B14R1.6449 CC(=O)C(=O)CSCc1ccccn1 62a_100000721315_100011261029 [0,0,0,0,0,0|3,0,1]=4 6 B14R1.6449 CC(=O)C(=O)CSCc1ccccn1 62a_100011261029_100000721315 [0,0,0,0,0,0|3,0,1]=4 7 B14R1.6449 CC(=O)C(=O)CSCc1cccnc1 62a_100000741622_100011261029 [0,0,0,0,0,0|3,0,1]=4 8 B14R1.6449 CC(=O)C(=O)CSCc1cccnc1 62a_100011261029_100000741622 [0,0,0,0,0,0|3,0,1]=4 9 B14R1.6449 CC(=O)C(=O)CSCc1ccncc1 62a_100011261029_100015193705 [0,0,0,0,0,0|3,0,1]=4 10 B14R1.6449 CC(=O)C(=O)CSCc1ccncc1 62a_100015193705_100011261029 [0,0,0,0,0,0|3,0,1]=4 11 B14R1.6449 CC(=O)C(C)CCCc1ccccc1 1458a_100000070787_200010759516 [0,0,0,0,0,0|3,0,0]=3 12 B14R1.6449 CC(=O)C(C)COCc1ccccc1 34a_100000032740_100015291786 [0,0,0,0,0,0|2,1,0]=3 13 B14R1.6449 CC(=O)C(C)COCc1ccccc1 7a_100000032740_100000211182 [0,0,0,0,0,0|2,1,0]=3 14 B14R1.6449 CC(=O)C(C)COCc1ccccn1 34a_100000032740_100000721315 [0,0,0,0,0,0|3,1,0]=4 15 B14R1.6449 CC(=O)C(C)COCc1ccccn1 7a_100000032740_100000721315 [0,0,0,0,0,0|3,1,0]=4 16 B14R1.6449 CC(=O)C(C)COCc1cccnc1 34a_100000032740_100000733263 [0,0,0,0,0,0|3,1,0]=4 17 B14R1.6449 CC(=O)C(C)COCc1cccnc1 7a_100000032740_100000741622 [0,0,0,0,0,0|3,1,0]=4 18 B14R1.6449 CC(=O)C(C)COCc1ccncc1 7a_100000032740_100015193705 [0,0,0,0,0,0|3,1,0]=4 19 B14R1.6449 CC(=O)C(C)NCCc1ccccc1 2230a_100000106460_100009814033 [0,0,0,0,0,0|4,0,0]=4 20 B14R1.6449 CC(=O)C(C)OCCc1ccccc1 34a_100000212229_100000765856 [0,0,0,0,0,0|4,0,0]=4 21 B14R1.6449 CC(=O)C(C)OCCc1ccccc1 7a_100000210268_100000179758 [0,0,0,0,0,0|4,0,0]=4 22 B14R1.6449 CC(=O)C(C)SCCc1ccccc1 62a_100000765856_100009814033 [0,0,0,0,0,0|4,0,0]=4 23 B14R1.6449 CC(=O)C(C)SCCc1ccccc1 62a_100009814033_100011218657 [0,0,0,0,0,0|4,0,0]=4 24 B14R1.6449 CC(=O)N(C)CCCc1ccccc1 11a_100000693637_100015343762 [0,0,0,0,0,0|4,0,0]=4 25 B14R1.6449 CC(=O)N(C)CCCc1ccccc1 1626a_100000693637_100015343762 [0,0,0,0,0,0|4,0,0]=4 26 B14R1.6449 CC(=O)N(C)CCCc1ccccc1 240690a_100000693637_100015343762 [0,0,0,0,0,0|4,0,0]=4 27 B14R1.6449 CC(=O)N(C)CCCc1ccccc1 527a_100000693637_100103153847 [0,0,0,0,0,0|4,0,0]=4 28 B14R1.6449 CC(C)[C@@H](N)COCc1ccccc1 34a_100011830312_100015291786 [0,0,0,0,0,0|2,1,1]=4 29 B14R1.6449 CC(CNCc1ccccc1)C(=O)O 269956a_100000749485_100015291786 [0,0,0,0,0,0|2,0,0]=2 30 B14R1.6449 CC(CNCc1ccccn1)C(=O)O 269956a_100000749485_100000721315 [0,0,0,0,0,0|3,0,0]=3 31 B14R1.6449 CC(CNCc1cccnc1)C(=O)O 269956a_100000749485_100000733263 [0,0,0,0,0,0|3,0,0]=3 32 B14R1.6449 CC(CNCc1cccnn1)C(=O)O 269956a_100000749485_100016990269 [0,0,0,0,0,0|4,0,0]=4 33 B14R1.6449 CC(CNCc1ccncc1)C(=O)O 269956a_100000749485_100015193705 [0,0,0,0,0,0|3,0,0]=3 34 B14R1.6449 CC(CNCc1cnccn1)C(=O)O 269956a_100000749485_100016995436 [0,0,0,0,0,0|4,0,0]=4 35 B14R1.6449 CC(CNCc1cncnc1)C(=O)O 269956a_100000749485_100016991940 [0,0,0,0,0,0|4,0,0]=4 36 B14R1.6449 CC(CNCc1ncccn1)C(=O)O 269956a_100000749485_100000703007 [0,0,0,0,0,0|4,0,0]=4 37 B14R1.6449 CC(COCc1ccccc1)[N+](=O)[O-] 34a_100000039676_100015291786 [0,0,0,0,0,0|2,1,1]=4 38 B14R1.6449 CC(COCc1ccccc1)[N+](=O)[O-] 7a_100000039676_100000211182 [0,0,0,0,0,0|2,1,1]=4 39 B14R1.6449 CC(CSCc1ccccc1)N(C)C 270004a_100102631434_100000172147 [0,0,0,0,0,0|4,0,0]=4 40 B14R1.6449 CC(NCCc1ccccc1)C(=O)N 2230a_100000106460_100000702099 [0,0,0,0,0,0|4,0,0]=4 41 B14R1.6449 CC(NCCc1ccccc1)C(=O)N 34a_100000106460_100000702099 [0,0,0,0,0,0|4,0,0]=4 42 B14R1.6449 CC(OCCc1ccccc1)C(=O)N 34a_100000210268_100000702099 [0,0,0,0,0,0|4,0,0]=4 43 B14R1.6449 CC(OCCc1ccccc1)C(=O)N 7a_100000210268_100000702099 [0,0,0,0,0,0|4,0,0]=4 44 B14R1.6449 CC(SCCc1ccccc1)C(=O)N 62a_100000702099_100011218657 [0,0,0,0,0,0|4,0,0]=4 45 B14R1.6449 CC(SCCc1ccccc1)C(=O)N 62a_100000765856_100000702099 [0,0,0,0,0,0|4,0,0]=4 46 B14R1.6449 C[C@@H](NCCc1ccccc1)C(=O)N 2230a_100000119354_100000765856 [0,0,0,0,0,0|4,0,0]=4 47 B14R1.6449 C[C@@H](NCCc1ccccc1)C(=O)N 34a_100000119354_100000765856 [0,0,0,0,0,0|4,0,0]=4 48 B14R1.6449 C[C@@H](O)C(=O)CSCc1ccccc1 1458a_100000717761_200011217039 [0,0,0,0,0,0|2,0,2]=4 49 B14R1.6449 C[C@@H](OCCc1ccccc1)C(=O)N 34a_100000731257_100000765856 [0,0,0,0,0,0|4,0,0]=4 50 B14R1.6449 C[C@@H](OCCc1ccccc1)C(=O)N 7a_100000731257_100000765856 [0,0,0,0,0,0|4,0,0]=4 51 B14R1.6449 C[C@H](NCCc1ccccc1)C(=O)O 269956a_100000743915_100000765856 [0,0,0,0,0,0|3,0,0]=3 52 B14R1.6449 C[C@H](NCCc1ccccn1)C(=O)O 269956a_100000743915_100015183660 [0,0,0,0,0,0|4,0,0]=4 53 B14R1.6449 C[C@H](NCCc1cccnc1)C(=O)O 269956a_100000743915_200011713674 [0,0,0,0,0,0|4,0,0]=4 54 B14R1.6449 C[C@H](NCCc1ccncc1)C(=O)O 269956a_100000743915_100000723409 [0,0,0,0,0,0|4,0,0]=4 55 B14R1.6449 C[C@H](NCSc1ccccc1)C(=O)O 269956a_100000743915_100011218342 [0,0,0,0,0,0|4,0,0]=4 56 B14R1.6449 C[C@H](O)C(=O)CSCc1ccccc1 1458a_217856618621_200011217039 [0,0,0,0,0,0|2,0,2]=4 57 B14R1.6449 C[C@H](OCCc1ccccc1)C(=O)[O-] 7a_217856618621_100000765856 [0,0,0,0,0,0|3,0,1]=4 58 B14R1.6449 NC(=O)C(F)NCCc1ccccc1 2230a_100000106460_100009813875 [0,0,0,0,0,0|4,0,0]=4 59 B14R1.6449 NC(=O)C(F)NCCc1ccccc1 34a_100000106460_100009813875 [0,0,0,0,0,0|4,0,0]=4 60 B14R1.6449 NC(=O)C(F)OCCc1ccccc1 34a_100000210268_100009813875 [0,0,0,0,0,0|4,0,0]=4 61 B14R1.6449 NC(=O)C(F)OCCc1ccccc1 7a_100000210268_100009813875 [0,0,0,0,0,0|4,0,0]=4 62 B14R1.6449 NC(=O)C(F)SCCc1ccccc1 62a_100000765856_100009813875 [0,0,0,0,0,0|4,0,0]=4 63 B14R1.6449 NC(=O)C(F)SCCc1ccccc1 62a_100009813875_100011218657 [0,0,0,0,0,0|4,0,0]=4 64 B14R1.6449 NC(=O)[C@@H](N)COCc1ccccc1 34a_100000729942_100015291786 [0,0,0,0,0,0|1,1,0]=2 65 B14R1.6449 NC(=O)[C@@H](N)COCc1ccccn1 34a_100000729942_100000721315 [0,0,0,0,0,0|2,1,0]=3 66 B14R1.6449 NC(=O)[C@@H](N)COCc1cccnc1 34a_100000729942_100000733263 [0,0,0,0,0,0|2,1,0]=3 67 B14R1.6449 NC(=O)[C@@H](N)COCc1cccnn1 34a_100000729942_100016990269 [0,0,0,0,0,0|3,1,0]=4 68 B14R1.6449 NC(=O)[C@@H](N)COCc1cnccn1 34a_100000729942_100016995436 [0,0,0,0,0,0|3,1,0]=4 69 B14R1.6449 NC(=O)[C@@H](N)COCc1cncnc1 34a_100000729942_100015196519 [0,0,0,0,0,0|3,1,0]=4 70 B14R1.6449 NC(=O)[C@@H](N)COCc1ncccn1 34a_100000729942_100000703007 [0,0,0,0,0,0|3,1,0]=4 71 B14R1.6449 O=C(CSCc1ccccc1)C(O)O 1458a_100000233687_200011217039 [0,0,0,0,0,0|1,0,3]=4 72 B14R1.6449 O=C(O)C(F)CNCc1ccccc1 269956a_100000084737_100015291786 [0,0,0,0,0,0|2,0,0]=2 73 B14R1.6449 O=C(O)C(F)CNCc1ccccn1 269956a_100000084737_100000721315 [0,0,0,0,0,0|3,0,0]=3 74 B14R1.6449 O=C(O)C(F)CNCc1cccnc1 269956a_100000084737_100000733263 [0,0,0,0,0,0|3,0,0]=3 75 B14R1.6449 O=C(O)C(F)CNCc1cccnn1 269956a_100000084737_100016990269 [0,0,0,0,0,0|4,0,0]=4 76 B14R1.6449 O=C(O)C(F)CNCc1ccncc1 269956a_100000084737_100015193705 [0,0,0,0,0,0|3,0,0]=3 77 B14R1.6449 O=C(O)C(F)CNCc1cnccn1 269956a_100000084737_100016995436 [0,0,0,0,0,0|4,0,0]=4 78 B14R1.6449 O=C(O)C(F)CNCc1cncnc1 269956a_100000084737_100016991940 [0,0,0,0,0,0|4,0,0]=4 79 B14R1.6449 O=C(O)C(F)CNCc1ncccn1 269956a_100000084737_100000703007 [0,0,0,0,0,0|4,0,0]=4 80 B14R1.6449 O=C([O-])C(F)NCCc1ccccc1 34a_100000106460_100020610796 [0,0,0,0,0,0|3,0,1]=4 81 B14R1.6449 O=C([O-])C(F)OCCc1ccccc1 34a_100000210268_100020610796 [0,0,0,0,0,0|3,0,1]=4 82 B14R1.6449 O=C([O-])C(F)SCCc1ccccc1 62a_100000765856_100020610796 [0,0,0,0,0,0|3,0,1]=4 83 B14R1.6449 O=C([O-])C(F)SCCc1ccccc1 62a_100020610796_100011218657 [0,0,0,0,0,0|3,0,1]=4 84 B13R1.337 C=C(Br)CCOCc1ccccc1 34a_100009813270_100015291786 [1,0,0,0,0,0|2,1,0]=4 85 B13R1.337 C=C(C)CCNCc1ccccc1 2230a_100015324214_100000730704 [1,0,0,0,0,0|3,0,0]=4 86 B13R1.337 C=C(C)CCNCc1ccccc1 34a_100015324214_100000730704 [1,0,0,0,0,0|3,0,0]=4 87 B13R1.337 C=C(C)CCOCc1ccccc1 34a_100000210790_100000730704 [1,0,0,0,0,0|2,1,0]=4 88 B13R1.337 C=C(C)CCOCc1ccccc1 34a_100000764851_100015291786 [1,0,0,0,0,0|2,1,0]=4 89 B13R1.337 C=C(C)CCOCc1ccccc1 7a_100000210790_100000730704 [1,0,0,0,0,0|2,1,0]=4 90 B13R1.337 C=C(C)CCSCc1ccccc1 62a_100000211182_100000730704 [1,0,0,0,0,0|2,0,0]=3 91 B13R1.337 C=C(C)CCSCc1ccccc1 62a_100000730704_100015291786 [1,0,0,0,0,0|2,0,0]=3 92 B13R1.337 C=C(C)CCSCc1ccccn1 62a_100000721315_100000730704 [1,0,0,0,0,0|3,0,0]=4 93 B13R1.337 C=C(C)CCSCc1ccccn1 62a_100000730704_100000721315 [1,0,0,0,0,0|3,0,0]=4 94 B13R1.337 C=C(C)CCSCc1cccnc1 62a_100000730704_100000741622 [1,0,0,0,0,0|3,0,0]=4 95 B13R1.337 C=C(C)CCSCc1cccnc1 62a_100000741622_100000730704 [1,0,0,0,0,0|3,0,0]=4 96 B13R1.337 C=C(C)CCSCc1ccncc1 62a_100000730704_100015193705 [1,0,0,0,0,0|3,0,0]=4 97 B13R1.337 C=C(C)CCSCc1ccncc1 62a_100015193705_100000730704 [1,0,0,0,0,0|3,0,0]=4 98 B13R1.337 CC(=CCSCc1ccccc1)C 62a_100000211182_100000761012 [1,0,0,0,0,0|2,0,1]=4 99 B13R1.337 CC(=CCSCc1ccccc1)C 62a_100000761012_100015291786 [1,0,0,0,0,0|2,0,1]=4 100 B13R1.337 CC(=O)CCCCc1ccccc1 1458a_100000070787_100000701786 [1,0,0,0,0,0|2,0,0]=3 101 B13R1.337 CC(=O)CCCCc1ccccc1 1458a_100011215911_200000210301 [1,0,0,0,0,0|2,0,0]=3 102 B13R1.337 CC(=O)CCCCc1ccncc1 1458a_100000070787_100020630000 [1,0,0,0,0,0|3,0,0]=4 103 B13R1.337 CC(=O)CCCNc1ccccc1 34a_100000106764_100000685027 [1,0,0,0,0,0|3,0,0]=4 104 B13R1.337 CC(=O)CCCOc1ccccc1 1458a_100000070787_100000199009 [1,0,0,0,0,0|3,0,0]=4 105 B13R1.337 CC(=O)CCCOc1ccccc1 1458a_100000212059_200000210301 [1,0,0,0,0,0|3,0,0]=4 106 B13R1.337 CC(=O)CCCOc1ccccc1 34a_100000210340_100000685027 [1,0,0,0,0,0|3,0,0]=4 107 B13R1.337 CC(=O)CCCOc1ccccc1 7a_100000210340_100011215641 [1,0,0,0,0,0|3,0,0]=4 108 B13R1.337 CC(=O)CCCSc1ccccc1 1458a_100000070787_200011203293 [1,0,0,0,0,0|3,0,0]=4 109 B13R1.337 CC(=O)CCCSc1ccccc1 1458a_100000182835_200000210301 [1,0,0,0,0,0|3,0,0]=4 110 B13R1.337 CC(=O)CCCSc1ccccc1 62a_100000719477_100011215641 [1,0,0,0,0,0|3,0,0]=4 111 B13R1.337 CC(=O)CCCSc1ccccc1 62a_100011215641_100000041952 [1,0,0,0,0,0|3,0,0]=4 112 B13R1.337 CC(=O)CCOCc1ccccc1 1458a_100000070787_100000234347 [1,0,0,0,0,0|1,1,0]=3 113 B13R1.337 CC(=O)CCOCc1ccccc1 1458a_100000743319_200000210301 [1,0,0,0,0,0|1,1,0]=3 114 B13R1.337 CC(=O)CCOCc1ccccc1 34a_100000759926_100015291786 [1,0,0,0,0,0|1,1,0]=3 115 B13R1.337 CC(=O)CCOCc1ccccc1 7a_100000210790_100000053229 [1,0,0,0,0,0|1,1,0]=3 116 B13R1.337 CC(=O)CCOCc1ccccc1 7a_100000759926_100000211182 [1,0,0,0,0,0|1,1,0]=3 117 B13R1.337 CC(=O)CCOCc1ccccn1 34a_100000759926_100000721315 [1,0,0,0,0,0|2,1,0]=4 118 B13R1.337 CC(=O)CCOCc1ccccn1 7a_100000759926_100000721315 [1,0,0,0,0,0|2,1,0]=4 119 B13R1.337 CC(=O)CCOCc1cccnc1 34a_100000759926_100000733263 [1,0,0,0,0,0|2,1,0]=4 120 B13R1.337 CC(=O)CCOCc1cccnc1 7a_100000759926_100000741622 [1,0,0,0,0,0|2,1,0]=4 121 B13R1.337 CC(=O)CCOCc1ccncc1 7a_100000759926_100015193705 [1,0,0,0,0,0|2,1,0]=4 122 B13R1.337 CC(=O)CCSCc1ccccc1 1458a_100000070787_200011297719 [1,0,0,0,0,0|1,0,0]=2 123 B13R1.337 CC(=O)CCSCc1ccccc1 1458a_100000173759_200000210301 [1,0,0,0,0,0|1,0,0]=2 124 B13R1.337 CC(=O)CCSCc1ccccc1 62a_100000053229_100015291786 [1,0,0,0,0,0|1,0,0]=2 125 B13R1.337 CC(=O)CCSCc1ccccc1 62a_100000211182_100000053229 [1,0,0,0,0,0|1,0,0]=2 126 B13R1.337 CC(=O)CCSCc1ccccn1 1458a_100000742633_200000210301 [1,0,0,0,0,0|2,0,0]=3 127 B13R1.337 CC(=O)CCSCc1ccccn1 62a_100000053229_100000721315 [1,0,0,0,0,0|2,0,0]=3 128 B13R1.337 CC(=O)CCSCc1ccccn1 62a_100000721315_100000053229 [1,0,0,0,0,0|2,0,0]=3 129 B13R1.337 CC(=O)CCSCc1cccnc1 62a_100000053229_100000741622 [1,0,0,0,0,0|2,0,0]=3 130 B13R1.337 CC(=O)CCSCc1cccnc1 62a_100000741622_100000053229 [1,0,0,0,0,0|2,0,0]=3 131 B13R1.337 CC(=O)CCSCc1cccnn1 62a_100000053229_100016990269 [1,0,0,0,0,0|3,0,0]=4 132 B13R1.337 CC(=O)CCSCc1cccnn1 62a_100016990269_100000053229 [1,0,0,0,0,0|3,0,0]=4 133 B13R1.337 CC(=O)CCSCc1ccncc1 62a_100000053229_100015193705 [1,0,0,0,0,0|2,0,0]=3 134 B13R1.337 CC(=O)CCSCc1ccncc1 62a_100015193705_100000053229 [1,0,0,0,0,0|2,0,0]=3 135 B13R1.337 CC(=O)CCSCc1cnccn1 62a_100000053229_100016995436 [1,0,0,0,0,0|3,0,0]=4 136 B13R1.337 CC(=O)CCSCc1cnccn1 62a_100016995436_100000053229 [1,0,0,0,0,0|3,0,0]=4 137 B13R1.337 CC(=O)CCSCc1cncnc1 62a_100000053229_100015196519 [1,0,0,0,0,0|3,0,0]=4 138 B13R1.337 CC(=O)CCSCc1cncnc1 62a_100015196519_100000053229 [1,0,0,0,0,0|3,0,0]=4 139 B13R1.337 CC(=O)CCSCc1ncccn1 62a_100000053229_100000703007 [1,0,0,0,0,0|3,0,0]=4 140 B13R1.337 CC(=O)CCSCc1ncccn1 62a_100000703007_100000053229 [1,0,0,0,0,0|3,0,0]=4 141 B13R1.337 CC(=O)CCSSc1ccccn1 1458a_100000068049_200000210301 [1,0,0,0,0,0|3,0,0]=4 142 B13R1.337 CC(=O)COCCc1ccccc1 34a_100000211253_100000765856 [1,0,0,0,0,0|3,0,0]=4 143 B13R1.337 CC(=O)NCCCc1ccccc1 11a_100000211184_100015343762 [1,0,0,0,0,0|3,0,0]=4 144 B13R1.337 CC(=O)NCCCc1ccccc1 1626a_100000211184_100015343762 [1,0,0,0,0,0|3,0,0]=4 145 B13R1.337 CC(=O)NCCCc1ccccc1 240690a_100000211184_100015343762 [1,0,0,0,0,0|3,0,0]=4 146 B13R1.337 CC(=O)NCCCc1ccccc1 527a_100000211184_100103153847 [1,0,0,0,0,0|3,0,0]=4 147 B13R1.337 CC(=O)OCNCc1ccccc1 34a_100015324214_100009813279 [1,0,0,0,0,0|3,0,0]=4 148 B13R1.337 CC(=O)OCOCc1ccccc1 34a_100000210790_100009813279 [1,0,0,0,0,0|2,1,0]=4 149 B13R1.337 CC(=O)OCSCc1ccccc1 62a_100000076356_100015291786 [1,0,0,0,0,0|2,0,0]=3 150 B13R1.337 CC(=O)OCSCc1ccccc1 62a_100000211182_100000076356 [1,0,0,0,0,0|2,0,0]=3 151 B13R1.337 CC(=O)OCSCc1ccccn1 62a_100000076356_100000721315 [1,0,0,0,0,0|3,0,0]=4 152 B13R1.337 CC(=O)OCSCc1ccccn1 62a_100000721315_100000076356 [1,0,0,0,0,0|3,0,0]=4 153 B13R1.337 CC(=O)OCSCc1cccnc1 62a_100000076356_100000741622 [1,0,0,0,0,0|3,0,0]=4 154 B13R1.337 CC(=O)OCSCc1cccnc1 62a_100000741622_100000076356 [1,0,0,0,0,0|3,0,0]=4 155 B13R1.337 CC(=O)OCSCc1ccncc1 62a_100000076356_100015193705 [1,0,0,0,0,0|3,0,0]=4 156 B13R1.337 CC(=O)OCSCc1ccncc1 62a_100015193705_100000076356 [1,0,0,0,0,0|3,0,0]=4 157 B13R1.337 CC(C)CCSCc1ccccc1 62a_100000210312_100015291786 [1,0,0,0,0,0|2,0,1]=4 158 B13R1.337 CC(C)CCSCc1ccccc1 62a_100000211182_100000210312 [1,0,0,0,0,0|2,0,1]=4 159 B13R1.337 CC(O)CCNCc1ccccc1 207a_200000755665_100015611070 [1,0,0,0,0,0|2,0,1]=4 160 B13R1.337 CC(O)CCNCc1ccccc1 2230a_100015324214_100012276601 [1,0,0,0,0,0|2,0,1]=4 161 B13R1.337 CC(O)CCNCc1ccccc1 2230a_200000755665_100015291786 [1,0,0,0,0,0|2,0,1]=4 162 B13R1.337 CC(O)CCNCc1ccccc1 270004a_200000755665_100015611070 [1,0,0,0,0,0|2,0,1]=4 163 B13R1.337 CC(O)CCNCc1ccccc1 34a_100015324214_100012276601 [1,0,0,0,0,0|2,0,1]=4 164 B13R1.337 CC(O)CCOCc1ccccc1 34a_100000210790_100012276601 [1,0,0,0,0,0|1,1,1]=4 165 B13R1.337 CC(O)CCOCc1ccccc1 7a_100000210790_100012276601 [1,0,0,0,0,0|1,1,1]=4 166 B13R1.337 CC(O)CCSCc1ccccc1 62a_100000211182_100012276601 [1,0,0,0,0,0|1,0,1]=3 167 B13R1.337 CC(O)CCSCc1ccccc1 62a_100012276601_100015291786 [1,0,0,0,0,0|1,0,1]=3 168 B13R1.337 CC(O)CCSCc1ccccn1 62a_100000721315_100012276601 [1,0,0,0,0,0|2,0,1]=4 169 B13R1.337 CC(O)CCSCc1ccccn1 62a_100012276601_100000721315 [1,0,0,0,0,0|2,0,1]=4 170 B13R1.337 CC(O)CCSCc1cccnc1 62a_100000741622_100012276601 [1,0,0,0,0,0|2,0,1]=4 171 B13R1.337 CC(O)CCSCc1cccnc1 62a_100012276601_100000741622 [1,0,0,0,0,0|2,0,1]=4 172 B13R1.337 CC(O)CCSCc1ccncc1 62a_100012276601_100015193705 [1,0,0,0,0,0|2,0,1]=4 173 B13R1.337 CC(O)CCSCc1ccncc1 62a_100015193705_100012276601 [1,0,0,0,0,0|2,0,1]=4 174 B13R1.337 CN(C)CCSCc1ccccc1 2230a_100102631434_200011297719 [1,0,0,0,0,0|3,0,0]=4 175 B13R1.337 CN(C)CCSCc1ccccc1 269982a_100102631434_200011297719 [1,0,0,0,0,0|3,0,0]=4 176 B13R1.337 CN(C)CCSCc1ccccc1 62a_100000211182_100000755713 [1,0,0,0,0,0|3,0,0]=4 177 B13R1.337 NC(=O)CCCNc1ccccc1 34a_100000106764_100102525003 [1,0,0,0,0,0|3,0,0]=4 178 B13R1.337 NC(=O)CCCOc1ccccc1 34a_100000210340_100102525003 [1,0,0,0,0,0|3,0,0]=4 179 B13R1.337 NC(=O)CCCOc1ccccc1 7a_100000210340_100102525003 [1,0,0,0,0,0|3,0,0]=4 180 B13R1.337 NC(=O)CCCSc1ccccc1 62a_100000719477_100102525003 [1,0,0,0,0,0|3,0,0]=4 181 B13R1.337 NC(=O)CCCSc1ccccc1 62a_100102525003_100000041952 [1,0,0,0,0,0|3,0,0]=4 182 B13R1.337 NC(=O)CCNCc1ccccc1 207a_100000740010_100015611070 [1,0,0,0,0,0|2,0,0]=3 183 B13R1.337 NC(=O)CCNCc1ccccc1 2230a_100015324214_100000744528 [1,0,0,0,0,0|2,0,0]=3 184 B13R1.337 NC(=O)CCNCc1ccccc1 34a_100015324214_100000731001 [1,0,0,0,0,0|2,0,0]=3 185 B13R1.337 NC(=O)CCNCc1ccccn1 207a_100000740010_100000209966 [1,0,0,0,0,0|3,0,0]=4 186 B13R1.337 NC(=O)CCNCc1cccnc1 207a_100000740010_100000209961 [1,0,0,0,0,0|3,0,0]=4 187 B13R1.337 NC(=O)CCNCc1ccncc1 207a_100000740010_100000186114 [1,0,0,0,0,0|3,0,0]=4 188 B13R1.337 NC(=O)CCOCc1ccccc1 34a_100000210790_100000731001 [1,0,0,0,0,0|1,1,0]=3 189 B13R1.337 NC(=O)CCOCc1ccccc1 34a_100000757172_100015291786 [1,0,0,0,0,0|1,1,0]=3 190 B13R1.337 NC(=O)CCOCc1ccccc1 7a_100000210790_100000744528 [1,0,0,0,0,0|1,1,0]=3 191 B13R1.337 NC(=O)CCOCc1ccccc1 7a_100000757172_100000211182 [1,0,0,0,0,0|1,1,0]=3 192 B13R1.337 NC(=O)CCOCc1ccccn1 34a_100000757172_100000721315 [1,0,0,0,0,0|2,1,0]=4 193 B13R1.337 NC(=O)CCOCc1ccccn1 7a_100000757172_100000721315 [1,0,0,0,0,0|2,1,0]=4 194 B13R1.337 NC(=O)CCOCc1cccnc1 34a_100000757172_100000733263 [1,0,0,0,0,0|2,1,0]=4 195 B13R1.337 NC(=O)CCOCc1cccnc1 7a_100000757172_100000741622 [1,0,0,0,0,0|2,1,0]=4 196 B13R1.337 NC(=O)CCOCc1ccncc1 7a_100000757172_100015193705 [1,0,0,0,0,0|2,1,0]=4 197 B13R1.337 NC(=O)CCSCc1ccccc1 62a_100000211182_100000744528 [1,0,0,0,0,0|1,0,0]=2 198 B13R1.337 NC(=O)CCSCc1ccccc1 62a_100000744528_100015291786 [1,0,0,0,0,0|1,0,0]=2 199 B13R1.337 NC(=O)CCSCc1ccccn1 62a_100000721315_100000744528 [1,0,0,0,0,0|2,0,0]=3 200 B13R1.337 NC(=O)CCSCc1ccccn1 62a_100000744528_100000721315 [1,0,0,0,0,0|2,0,0]=3 201 B13R1.337 NC(=O)CCSCc1cccnc1 62a_100000741622_100000744528 [1,0,0,0,0,0|2,0,0]=3 202 B13R1.337 NC(=O)CCSCc1cccnc1 62a_100000744528_100000741622 [1,0,0,0,0,0|2,0,0]=3 203 B13R1.337 NC(=O)CCSCc1cccnn1 62a_100000744528_100016990269 [1,0,0,0,0,0|3,0,0]=4 204 B13R1.337 NC(=O)CCSCc1cccnn1 62a_100016990269_100000744528 [1,0,0,0,0,0|3,0,0]=4 205 B13R1.337 NC(=O)CCSCc1ccncc1 62a_100000744528_100015193705 [1,0,0,0,0,0|2,0,0]=3 206 B13R1.337 NC(=O)CCSCc1ccncc1 62a_100015193705_100000744528 [1,0,0,0,0,0|2,0,0]=3 207 B13R1.337 NC(=O)CCSCc1cnccn1 62a_100000744528_100016995436 [1,0,0,0,0,0|3,0,0]=4 208 B13R1.337 NC(=O)CCSCc1cnccn1 62a_100016995436_100000744528 [1,0,0,0,0,0|3,0,0]=4 209 B13R1.337 NC(=O)CCSCc1cncnc1 62a_100000744528_100015196519 [1,0,0,0,0,0|3,0,0]=4 210 B13R1.337 NC(=O)CCSCc1cncnc1 62a_100015196519_100000744528 [1,0,0,0,0,0|3,0,0]=4 211 B13R1.337 NC(=O)CCSCc1ncccn1 62a_100000703007_100000744528 [1,0,0,0,0,0|3,0,0]=4 212 B13R1.337 NC(=O)CCSCc1ncccn1 62a_100000744528_100000703007 [1,0,0,0,0,0|3,0,0]=4 213 B13R1.337 NC(=O)CNCCc1ccccc1 2230a_100000106460_100000747473 [1,0,0,0,0,0|3,0,0]=4 214 B13R1.337 NC(=O)CNCCc1ccccc1 2230a_100000711301_100000765856 [1,0,0,0,0,0|3,0,0]=4 215 B13R1.337 NC(=O)CNCCc1ccccc1 34a_100000106460_100000187820 [1,0,0,0,0,0|3,0,0]=4 216 B13R1.337 NC(=O)COCCc1ccccc1 34a_100000210268_100000187820 [1,0,0,0,0,0|3,0,0]=4 217 B13R1.337 NC(=O)COCCc1ccccc1 7a_100000210268_100000187820 [1,0,0,0,0,0|3,0,0]=4 218 B13R1.337 NC(=O)CSCCc1ccccc1 62a_100000747473_100011218657 [1,0,0,0,0,0|3,0,0]=4 219 B13R1.337 NC(=O)CSCCc1ccccc1 62a_100000765856_100000747473 [1,0,0,0,0,0|3,0,0]=4 220 B13R1.337 O=C(O)CNCCc1ccccc1 269956a_100016091260_100000765856 [1,0,0,0,0,0|2,0,0]=3 221 B13R1.337 O=C(O)CNCCc1ccccn1 269956a_100016091260_100015183660 [1,0,0,0,0,0|3,0,0]=4 222 B13R1.337 O=C(O)CNCCc1cccnc1 269956a_100016091260_200011713674 [1,0,0,0,0,0|3,0,0]=4 223 B13R1.337 O=C(O)CNCCc1ccncc1 269956a_100016091260_100000723409 [1,0,0,0,0,0|3,0,0]=4 224 B13R1.337 O=C(O)CNCSc1ccccc1 269956a_100016091260_100011218342 [1,0,0,0,0,0|3,0,0]=4 225 B13R1.337 O=C(O)CONCc1ccccc1 269956a_100000106656_100015291786 [1,0,0,0,0,0|2,0,0]=3 226 B13R1.337 O=C(O)CONCc1ccccn1 269956a_100000106656_100000721315 [1,0,0,0,0,0|3,0,0]=4 227 B13R1.337 O=C(O)CONCc1cccnc1 269956a_100000106656_100000733263 [1,0,0,0,0,0|3,0,0]=4 228 B13R1.337 O=C(O)CONCc1ccncc1 269956a_100000106656_100015193705 [1,0,0,0,0,0|3,0,0]=4 229 B13R1.337 O=C([O-])CNCCc1ccccc1 34a_100000106460_100020667443 [1,0,0,0,0,0|2,0,1]=4 230 B13R1.337 O=C([O-])COCCc1ccccc1 34a_100000210268_100020667443 [1,0,0,0,0,0|2,0,1]=4 231 B13R1.337 O=C([O-])CSCCc1ccccc1 62a_100000765856_100020667443 [1,0,0,0,0,0|2,0,1]=4 232 B13R1.337 O=C([O-])CSCCc1ccccc1 62a_100020667443_100011218657 [1,0,0,0,0,0|2,0,1]=4 233 B13R1.337 [13CH3]C(=O)CCCCc1ccccc1 1458a_100011215911_200025704644 [1,0,0,0,0,0|2,0,0]=3 234 B13R1.337 [13CH3]C(=O)CCCOc1ccccc1 1458a_100000212059_200025704644 [1,0,0,0,0,0|3,0,0]=4 235 B13R1.337 [13CH3]C(=O)CCCSc1ccccc1 1458a_100000182835_200025704644 [1,0,0,0,0,0|3,0,0]=4 236 B13R1.337 [13CH3]C(=O)CCOCc1ccccc1 1458a_100000743319_200025704644 [1,0,0,0,0,0|1,1,0]=3 237 B13R1.337 [13CH3]C(=O)CCSCc1ccccc1 1458a_100000173759_200025704644 [1,0,0,0,0,0|1,0,0]=2 238 B13R1.337 [13CH3]C(=O)CCSCc1ccccn1 1458a_100000742633_200025704644 [1,0,0,0,0,0|2,0,0]=3 239 B13R1.337 [13CH3]C(=O)CCSSc1ccccn1 1458a_100000068049_200025704644 [1,0,0,0,0,0|3,0,0]=4 240 B13R1.718 C=CC(=O)CSCc1ccccc1 1458a_100000185746_200011217039 [1,0,0,0,0,0|2,0,1]=4 241 B13R1.718 C=CC(C)COCc1ccccc1 34a_100011215527_100015291786 [1,0,0,0,0,0|2,1,0]=4 242 B13R1.718 C=CC(C)COCc1ccccc1 7a_100011215527_100000211182 [1,0,0,0,0,0|2,1,0]=4 243 B13R1.718 C=CC(O)CNCc1ccccc1 2230a_100015324214_100000730141 [1,0,0,0,0,0|3,0,0]=4 244 B13R1.718 C=CC(O)CNCc1ccccc1 34a_100015324214_100000730141 [1,0,0,0,0,0|3,0,0]=4 245 B13R1.718 C=CC(O)COCc1ccccc1 34a_100000210790_100000730141 [1,0,0,0,0,0|2,1,0]=4 246 B13R1.718 C=CC(O)COCc1ccccc1 7a_100000210790_100000730141 [1,0,0,0,0,0|2,1,0]=4 247 B13R1.718 C=CC(O)CSCc1ccccc1 62a_100000211182_100000730141 [1,0,0,0,0,0|2,0,0]=3 248 B13R1.718 C=CC(O)CSCc1ccccc1 62a_100000730141_100015291786 [1,0,0,0,0,0|2,0,0]=3 249 B13R1.718 C=CC(O)CSCc1ccccn1 62a_100000721315_100000730141 [1,0,0,0,0,0|3,0,0]=4 250 B13R1.718 C=CC(O)CSCc1ccccn1 62a_100000730141_100000721315 [1,0,0,0,0,0|3,0,0]=4 251 B13R1.718 C=CC(O)CSCc1cccnc1 62a_100000730141_100000741622 [1,0,0,0,0,0|3,0,0]=4 252 B13R1.718 C=CC(O)CSCc1cccnc1 62a_100000741622_100000730141 [1,0,0,0,0,0|3,0,0]=4 253 B13R1.718 C=CC(O)CSCc1ccncc1 62a_100000730141_100015193705 [1,0,0,0,0,0|3,0,0]=4 254 B13R1.718 C=CC(O)CSCc1ccncc1 62a_100015193705_100000730141 [1,0,0,0,0,0|3,0,0]=4 255 B13R1.718 C=C[C@H](N)COCc1ccccc1 34a_100016989147_100015291786 [1,0,0,0,0,0|1,1,0]=3 256 B13R1.718 C=C[C@H](N)COCc1ccccn1 34a_100016989147_100000721315 [1,0,0,0,0,0|2,1,0]=4 257 B13R1.718 C=C[C@H](N)COCc1cccnc1 34a_100016989147_100000733263 [1,0,0,0,0,0|2,1,0]=4 258 B13R1.718 CC(CO)CNCc1ccccc1 207a_100000744482_100015611070 [1,0,0,0,0,0|2,0,1]=4 259 B13R1.718 CC(CO)CNCc1ccccc1 34a_100000744482_100015291786 [1,0,0,0,0,0|2,0,1]=4 260 B13R1.718 CCC(C)CSCc1ccccc1 62a_100000211182_100000748023 [1,0,0,0,0,0|2,0,1]=4 261 B13R1.718 CCC(C)CSCc1ccccc1 62a_100000748023_100015291786 [1,0,0,0,0,0|2,0,1]=4 262 B13R1.718 CCC(O)CSCc1ccccc1 62a_100000211182_100011218378 [1,0,0,0,0,0|2,0,1]=4 263 B13R1.718 CCC(O)CSCc1ccccc1 62a_100011218378_100015291786 [1,0,0,0,0,0|2,0,1]=4 264 B13R1.718 CC[C@H](C)CSCc1ccccc1 62a_100000211182_100009816398 [1,0,0,0,0,0|2,0,1]=4 265 B13R1.718 CC[C@H](C)CSCc1ccccc1 62a_100009816398_100015291786 [1,0,0,0,0,0|2,0,1]=4 266 B13R1.718 CNC(C)CSCc1ccccc1 270004a_106832991635_100000172147 [1,0,0,0,0,0|3,0,0]=4 267 B13R1.718 C[C@@H](CO)CNCc1ccccc1 2230a_100015324214_100000059175 [1,0,0,0,0,0|2,0,1]=4 268 B13R1.718 C[C@@H](CO)CNCc1ccccc1 34a_100015324214_100000059175 [1,0,0,0,0,0|2,0,1]=4 269 B13R1.718 C[C@@H](CO)COCc1ccccc1 34a_100000210790_100000059175 [1,0,0,0,0,0|1,1,1]=4 270 B13R1.718 C[C@@H](CO)COCc1ccccc1 7a_100000210790_100000059175 [1,0,0,0,0,0|1,1,1]=4 271 B13R1.718 C[C@@H](CO)CSCc1ccccc1 62a_100000059175_100015291786 [1,0,0,0,0,0|1,0,1]=3 272 B13R1.718 C[C@@H](CO)CSCc1ccccc1 62a_100000211182_100000059175 [1,0,0,0,0,0|1,0,1]=3 273 B13R1.718 C[C@@H](CO)CSCc1ccccn1 62a_100000059175_100000721315 [1,0,0,0,0,0|2,0,1]=4 274 B13R1.718 C[C@@H](CO)CSCc1ccccn1 62a_100000721315_100000059175 [1,0,0,0,0,0|2,0,1]=4 275 B13R1.718 C[C@@H](CO)CSCc1cccnc1 62a_100000059175_100000741622 [1,0,0,0,0,0|2,0,1]=4 276 B13R1.718 C[C@@H](CO)CSCc1cccnc1 62a_100000741622_100000059175 [1,0,0,0,0,0|2,0,1]=4 277 B13R1.718 C[C@@H](CO)CSCc1ccncc1 62a_100000059175_100015193705 [1,0,0,0,0,0|2,0,1]=4 278 B13R1.718 C[C@@H](CO)CSCc1ccncc1 62a_100015193705_100000059175 [1,0,0,0,0,0|2,0,1]=4 279 B13R1.718 O=C(CO)CSCc1ccccc1 1458a_100000210174_200011217039 [1,0,0,0,0,0|1,0,2]=4 280 B13R1.718 OCC(O)CNCc1ccccc1 2230a_100015324214_100011219619 [1,0,0,0,0,0|2,0,1]=4 281 B13R1.718 OCC(O)CNCc1ccccc1 34a_100015324214_100011219619 [1,0,0,0,0,0|2,0,1]=4 282 B13R1.718 OCC(O)COCc1ccccc1 34a_100000210790_100011219619 [1,0,0,0,0,0|1,1,1]=4 283 B13R1.718 OCC(O)COCc1ccccc1 7a_100000210790_100011219619 [1,0,0,0,0,0|1,1,1]=4 284 B13R1.718 OCC(O)CSCc1ccccc1 62a_100000211182_100011219619 [1,0,0,0,0,0|1,0,1]=3 285 B13R1.718 OCC(O)CSCc1ccccc1 62a_100011219619_100015291786 [1,0,0,0,0,0|1,0,1]=3 286 B13R1.718 OCC(O)CSCc1ccccn1 62a_100000721315_100011219619 [1,0,0,0,0,0|2,0,1]=4 287 B13R1.718 OCC(O)CSCc1ccccn1 62a_100011219619_100000721315 [1,0,0,0,0,0|2,0,1]=4 288 B13R1.718 OCC(O)CSCc1cccnc1 62a_100000741622_100011219619 [1,0,0,0,0,0|2,0,1]=4 289 B13R1.718 OCC(O)CSCc1cccnc1 62a_100011219619_100000741622 [1,0,0,0,0,0|2,0,1]=4 290 B13R1.718 OCC(O)CSCc1ccncc1 62a_100011219619_100015193705 [1,0,0,0,0,0|2,0,1]=4 291 B13R1.718 OCC(O)CSCc1ccncc1 62a_100015193705_100011219619 [1,0,0,0,0,0|2,0,1]=4 292 B13R1.718 OC[C@@H](O)CNCc1ccccc1 207a_100020644852_100015611070 [1,0,0,0,0,0|2,0,1]=4 293 B13R1.718 OC[C@@H](O)CNCc1ccccc1 2230a_100020644852_100015291786 [1,0,0,0,0,0|2,0,1]=4 294 B13R1.718 OC[C@H](F)CNCc1ccccc1 207a_100015665980_100015611070 [1,0,0,0,0,0|2,0,1]=4 295 B13R1.718 OC[C@H](F)CNCc1ccccc1 270004a_100015665980_100015611070 [1,0,0,0,0,0|2,0,1]=4 296 B13R1.718 OC[C@H](F)CNCc1ccccc1 34a_100015665980_100015291786 [1,0,0,0,0,0|2,0,1]=4 297 B13R1.718 OC[C@H](O)CNCc1ccccc1 2230a_100015324214_100009815848 [1,0,0,0,0,0|2,0,1]=4 298 B13R1.718 OC[C@H](O)CNCc1ccccc1 34a_100015324214_100009815848 [1,0,0,0,0,0|2,0,1]=4 299 B13R1.718 OC[C@H](O)COCc1ccccc1 34a_100000210790_100009815848 [1,0,0,0,0,0|1,1,1]=4 300 B13R1.718 OC[C@H](O)COCc1ccccc1 7a_100000210790_100009815848 [1,0,0,0,0,0|1,1,1]=4 301 B13R1.718 OC[C@H](O)CSCc1ccccc1 62a_100000211182_100009815848 [1,0,0,0,0,0|1,0,1]=3 302 B13R1.718 OC[C@H](O)CSCc1ccccc1 62a_100009815848_100015291786 [1,0,0,0,0,0|1,0,1]=3 303 B13R1.718 OC[C@H](O)CSCc1ccccn1 62a_100000721315_100009815848 [1,0,0,0,0,0|2,0,1]=4 304 B13R1.718 OC[C@H](O)CSCc1ccccn1 62a_100009815848_100000721315 [1,0,0,0,0,0|2,0,1]=4 305 B13R1.718 OC[C@H](O)CSCc1cccnc1 62a_100000741622_100009815848 [1,0,0,0,0,0|2,0,1]=4 306 B13R1.718 OC[C@H](O)CSCc1cccnc1 62a_100009815848_100000741622 [1,0,0,0,0,0|2,0,1]=4 307 B13R1.718 OC[C@H](O)CSCc1ccncc1 62a_100009815848_100015193705 [1,0,0,0,0,0|2,0,1]=4 308 B13R1.718 OC[C@H](O)CSCc1ccncc1 62a_100015193705_100009815848 [1,0,0,0,0,0|2,0,1]=4 309 B13R1.718 O[C@@H](CF)CSCc1ccccc1 62a_100000211182_100015614560 [1,0,0,0,0,0|2,0,1]=4 310 B13R1.718 O[C@@H](CF)CSCc1ccccc1 62a_100015614560_100015291786 [1,0,0,0,0,0|2,0,1]=4 311 B15R1.112 CC(=O)C(=O)CSCc1ccc(cc1)Br 62a_100000189115_100011261029 [0,1,0,0,0,0|2,0,1]=4 312 B15R1.112 CC(=O)C(=O)CSCc1ccc(cc1)Br 62a_100011261029_100000189115 [0,1,0,0,0,0|2,0,1]=4 313 B15R1.112 CC(=O)C(=O)CSCc1ccc(cc1)C 62a_100000210814_100011261029 [0,1,0,0,0,0|2,0,1]=4 314 B15R1.112 CC(=O)C(=O)CSCc1ccc(cc1)C 62a_100011261029_100000210814 [0,1,0,0,0,0|2,0,1]=4 315 B15R1.112 CC(=O)C(=O)CSCc1ccc(cc1)Cl 62a_100000187161_100011261029 [0,1,0,0,0,0|2,0,1]=4 316 B15R1.112 CC(=O)C(=O)CSCc1ccc(cc1)Cl 62a_100011261029_100000187161 [0,1,0,0,0,0|2,0,1]=4 317 B15R1.112 CC(=O)C(=O)CSCc1ccc(cc1)F 62a_100000198546_100011261029 [0,1,0,0,0,0|2,0,1]=4 318 B15R1.112 CC(=O)C(=O)CSCc1ccc(cc1)F 62a_100011261029_100000187164 [0,1,0,0,0,0|2,0,1]=4 319 B15R1.112 CC(=O)C(=O)CSCc1ccc(cc1)I 62a_100000189116_100011261029 [0,1,0,0,0,0|2,0,1]=4 320 B15R1.112 CC(=O)C(=O)CSCc1ccc(cc1)I 62a_100011261029_100000189116 [0,1,0,0,0,0|2,0,1]=4 321 B15R1.112 CC(=O)C(C)COCc1ccc(cc1)Br 34a_100000032740_100000189115 [0,1,0,0,0,0|2,1,0]=4 322 B15R1.112 CC(=O)C(C)COCc1ccc(cc1)Br 7a_100000032740_100011217064 [0,1,0,0,0,0|2,1,0]=4 323 B15R1.112 CC(=O)C(C)COCc1ccc(cc1)C 34a_100000032740_100000210814 [0,1,0,0,0,0|2,1,0]=4 324 B15R1.112 CC(=O)C(C)COCc1ccc(cc1)C 7a_100000032740_100000210814 [0,1,0,0,0,0|2,1,0]=4 325 B15R1.112 CC(=O)C(C)COCc1ccc(cc1)Cl 34a_100000032740_100000694040 [0,1,0,0,0,0|2,1,0]=4 326 B15R1.112 CC(=O)C(C)COCc1ccc(cc1)Cl 7a_100000032740_100000187161 [0,1,0,0,0,0|2,1,0]=4 327 B15R1.112 CC(=O)C(C)COCc1ccc(cc1)F 34a_100000032740_100000198546 [0,1,0,0,0,0|2,1,0]=4 328 B15R1.112 CC(=O)C(C)COCc1ccc(cc1)F 7a_100000032740_100000198546 [0,1,0,0,0,0|2,1,0]=4 329 B15R1.112 CC(=O)C(C)COCc1ccc(cc1)I 34a_100000032740_100000189116 [0,1,0,0,0,0|2,1,0]=4 330 B15R1.112 CC(=O)C(C)COCc1ccc(cc1)I 7a_100000032740_100000189116 [0,1,0,0,0,0|2,1,0]=4 331 B15R1.112 CC(CNCc1ccc(cc1)Br)C(=O)O 269956a_100000749485_100011217064 [0,1,0,0,0,0|2,0,0]=3 332 B15R1.112 CC(CNCc1ccc(cc1)Cl)C(=O)O 269956a_100000749485_100000187161 [0,1,0,0,0,0|2,0,0]=3 333 B15R1.112 CC(CNCc1ccc(cc1)F)C(=O)O 269956a_100000749485_100000198546 [0,1,0,0,0,0|2,0,0]=3 334 B15R1.112 CC(CNCc1ccc(cc1)I)C(=O)O 269956a_100000749485_100000189116 [0,1,0,0,0,0|2,0,0]=3 335 B15R1.112 CC(CNCc1ccc(cn1)Br)C(=O)O 269956a_100000749485_100000702658 [0,1,0,0,0,0|3,0,0]=4 336 B15R1.112 CC(CNCc1ccc(cn1)Cl)C(=O)O 269956a_100000749485_100012066911 [0,1,0,0,0,0|3,0,0]=4 337 B15R1.112 CC(CNCc1ccc(cn1)F)C(=O)O 269956a_100000749485_100000703193 [0,1,0,0,0,0|3,0,0]=4 338 B15R1.112 CC(CNCc1ccc(nc1)Br)C(=O)O 269956a_100000749485_100009831999 [0,1,0,0,0,0|3,0,0]=4 339 B15R1.112 CC(CNCc1ccc(nc1)Cl)C(=O)O 269956a_100000749485_100000735431 [0,1,0,0,0,0|3,0,0]=4 340 B15R1.112 CC(CNCc1ccc(nc1)F)C(=O)O 269956a_100000749485_100009820150 [0,1,0,0,0,0|3,0,0]=4 341 B15R1.112 C[C@H](NCCc1ccc(cc1)Br)C(=O)O 269956a_100000743915_100011740612 [0,1,0,0,0,0|3,0,0]=4 342 B15R1.112 C[C@H](NCCc1ccc(cc1)Cl)C(=O)O 269956a_100000743915_100011713675 [0,1,0,0,0,0|3,0,0]=4 343 B15R1.112 C[C@H](NCCc1ccc(cc1)F)C(=O)O 269956a_100000743915_100011217392 [0,1,0,0,0,0|3,0,0]=4 344 B15R1.112 C[C@H](NCCc1ccc(cc1)O)C(=O)O 269956a_100000743915_100009816426 [0,1,0,0,0,0|3,0,0]=4 345 B15R1.112 Cc1ccc(cc1)CCN[C@@H](C)C(=O)O 269956a_100000743915_100011713686 [0,1,0,0,0,0|3,0,0]=4 346 B15R1.112 Cc1ccc(cc1)CNCC(C)C(=O)O 269956a_100000749485_100000210814 [0,1,0,0,0,0|2,0,0]=3 347 B15R1.112 Cc1ccc(cc1)CNCC(F)C(=O)O 269956a_100000084737_100000210814 [0,1,0,0,0,0|2,0,0]=3 348 B15R1.112 Cc1ccc(cc1)COC[C@H](N)C(=O)N 34a_100000729942_100000210814 [0,1,0,0,0,0|1,1,0]=3 349 B15R1.112 Cc1ccc(cn1)CNCC(C)C(=O)O 269956a_100000749485_100016987292 [0,1,0,0,0,0|3,0,0]=4 350 B15R1.112 Cc1ccc(cn1)CNCC(F)C(=O)O 269956a_100000084737_100016987292 [0,1,0,0,0,0|3,0,0]=4 351 B15R1.112 Cc1ccc(cn1)COC[C@H](N)C(=O)N 34a_100000729942_100016987292 [0,1,0,0,0,0|2,1,0]=4 352 B15R1.112 Cc1ccc(nc1)CNCC(C)C(=O)O 269956a_100000749485_100000691093 [0,1,0,0,0,0|3,0,0]=4 353 B15R1.112 Cc1ccc(nc1)CNCC(F)C(=O)O 269956a_100000084737_100000691093 [0,1,0,0,0,0|3,0,0]=4 354 B15R1.112 Cc1ccc(nc1)COC[C@H](N)C(=O)N 34a_100000729942_100000691093 [0,1,0,0,0,0|2,1,0]=4 355 B15R1.112 NC(=O)[C@@H](N)COCc1ccc(cc1)Br 34a_100000729942_100000189115 [0,1,0,0,0,0|1,1,0]=3 356 B15R1.112 NC(=O)[C@@H](N)COCc1ccc(cc1)Cl 34a_100000729942_100000694040 [0,1,0,0,0,0|1,1,0]=3 357 B15R1.112 NC(=O)[C@@H](N)COCc1ccc(cc1)F 34a_100000729942_100000198546 [0,1,0,0,0,0|1,1,0]=3 358 B15R1.112 NC(=O)[C@@H](N)COCc1ccc(cc1)I 34a_100000729942_100000189116 [0,1,0,0,0,0|1,1,0]=3 359 B15R1.112 NC(=O)[C@@H](N)COCc1ccc(cn1)Br 34a_100000729942_100000702658 [0,1,0,0,0,0|2,1,0]=4 360 B15R1.112 NC(=O)[C@@H](N)COCc1ccc(cn1)Cl 34a_100000729942_100012066911 [0,1,0,0,0,0|2,1,0]=4 361 B15R1.112 NC(=O)[C@@H](N)COCc1ccc(cn1)F 34a_100000729942_100000703193 [0,1,0,0,0,0|2,1,0]=4 362 B15R1.112 NC(=O)[C@@H](N)COCc1ccc(nc1)Br 34a_100000729942_100009831999 [0,1,0,0,0,0|2,1,0]=4 363 B15R1.112 NC(=O)[C@@H](N)COCc1ccc(nc1)Cl 34a_100000729942_100000735431 [0,1,0,0,0,0|2,1,0]=4 364 B15R1.112 NC(=O)[C@@H](N)COCc1ccc(nc1)F 34a_100000729942_100000099788 [0,1,0,0,0,0|2,1,0]=4 365 B15R1.112 O=C(O)C(F)CNCc1ccc(cc1)Br 269956a_100000084737_100011217064 [0,1,0,0,0,0|2,0,0]=3 366 B15R1.112 O=C(O)C(F)CNCc1ccc(cc1)Cl 269956a_100000084737_100000187161 [0,1,0,0,0,0|2,0,0]=3 367 B15R1.112 O=C(O)C(F)CNCc1ccc(cc1)F 269956a_100000084737_100000198546 [0,1,0,0,0,0|2,0,0]=3 368 B15R1.112 O=C(O)C(F)CNCc1ccc(cc1)I 269956a_100000084737_100000189116 [0,1,0,0,0,0|2,0,0]=3 369 B15R1.112 O=C(O)C(F)CNCc1ccc(cn1)Br 269956a_100000084737_100000702658 [0,1,0,0,0,0|3,0,0]=4 370 B15R1.112 O=C(O)C(F)CNCc1ccc(cn1)Cl 269956a_100000084737_100012066911 [0,1,0,0,0,0|3,0,0]=4 371 B15R1.112 O=C(O)C(F)CNCc1ccc(cn1)F 269956a_100000084737_100000703193 [0,1,0,0,0,0|3,0,0]=4 372 B15R1.112 O=C(O)C(F)CNCc1ccc(nc1)Br 269956a_100000084737_100009831999 [0,1,0,0,0,0|3,0,0]=4 373 B15R1.112 O=C(O)C(F)CNCc1ccc(nc1)Cl 269956a_100000084737_100000735431 [0,1,0,0,0,0|3,0,0]=4 374 B15R1.112 O=C(O)C(F)CNCc1ccc(nc1)F 269956a_100000084737_100009820150 [0,1,0,0,0,0|3,0,0]=4 375 B15R1.121 CC(=O)C(=O)CSCc1cccc(c1)Br 62a_100000211773_100011261029 [0,1,0,0,0,0|2,0,1]=4 376 B15R1.121 CC(=O)C(=O)CSCc1cccc(c1)Br 62a_100011261029_100000211773 [0,1,0,0,0,0|2,0,1]=4 377 B15R1.121 CC(=O)C(=O)CSCc1cccc(c1)C 62a_100000211840_100011261029 [0,1,0,0,0,0|2,0,1]=4 378 B15R1.121 CC(=O)C(=O)CSCc1cccc(c1)C 62a_100011261029_100000211840 [0,1,0,0,0,0|2,0,1]=4 379 B15R1.121 CC(=O)C(=O)CSCc1cccc(c1)Cl 62a_100000187163_100011261029 [0,1,0,0,0,0|2,0,1]=4 380 B15R1.121 CC(=O)C(=O)CSCc1cccc(c1)Cl 62a_100011261029_100000187163 [0,1,0,0,0,0|2,0,1]=4 381 B15R1.121 CC(=O)C(=O)CSCc1cccc(c1)F 62a_100000230114_100011261029 [0,1,0,0,0,0|2,0,1]=4 382 B15R1.121 CC(=O)C(=O)CSCc1cccc(c1)F 62a_100011261029_100000230114 [0,1,0,0,0,0|2,0,1]=4 383 B15R1.121 CC(=O)C(=O)CSCc1cccc(c1)I 62a_100011218688_100011261029 [0,1,0,0,0,0|2,0,1]=4 384 B15R1.121 CC(=O)C(=O)CSCc1cccc(c1)I 62a_100011261029_100011218688 [0,1,0,0,0,0|2,0,1]=4 385 B15R1.121 CC(=O)C(=O)CSCc1cccc(c1)O 62a_100011261029_100011660834 [0,1,0,0,0,0|2,0,1]=4 386 B15R1.121 CC(=O)C(=O)CSCc1cccc(c1)O 62a_100011660834_100011261029 [0,1,0,0,0,0|2,0,1]=4 387 B15R1.121 CC(=O)C(C)COCc1cccc(c1)Br 34a_100000032740_100000698116 [0,1,0,0,0,0|2,1,0]=4 388 B15R1.121 CC(=O)C(C)COCc1cccc(c1)Br 7a_100000032740_100000211773 [0,1,0,0,0,0|2,1,0]=4 389 B15R1.121 CC(=O)C(C)COCc1cccc(c1)C 34a_100000032740_100000211840 [0,1,0,0,0,0|2,1,0]=4 390 B15R1.121 CC(=O)C(C)COCc1cccc(c1)C 7a_100000032740_100000211840 [0,1,0,0,0,0|2,1,0]=4 391 B15R1.121 CC(=O)C(C)COCc1cccc(c1)Cl 34a_100000032740_100000187163 [0,1,0,0,0,0|2,1,0]=4 392 B15R1.121 CC(=O)C(C)COCc1cccc(c1)Cl 7a_100000032740_100000187163 [0,1,0,0,0,0|2,1,0]=4 393 B15R1.121 CC(=O)C(C)COCc1cccc(c1)F 34a_100000032740_100000187166 [0,1,0,0,0,0|2,1,0]=4 394 B15R1.121 CC(=O)C(C)COCc1cccc(c1)F 7a_100000032740_100000230114 [0,1,0,0,0,0|2,1,0]=4 395 B15R1.121 CC(=O)C(C)COCc1cccc(c1)I 34a_100000032740_100011218688 [0,1,0,0,0,0|2,1,0]=4 396 B15R1.121 CC(=O)C(C)COCc1cccc(c1)I 7a_100000032740_100011218688 [0,1,0,0,0,0|2,1,0]=4 397 B15R1.121 CC(=O)C(C)COCc1cccc(c1)O 34a_100000032740_100011660834 [0,1,0,0,0,0|2,1,0]=4 398 B15R1.121 CC(=O)C(C)COCc1cccc(c1)O 7a_100000032740_100000084143 [0,1,0,0,0,0|2,1,0]=4 399 B15R1.121 CC(CNCc1cc(ccn1)Br)C(=O)O 269956a_100000749485_100010173614 [0,1,0,0,0,0|3,0,0]=4 400 B15R1.121 CC(CNCc1cc(ccn1)Cl)C(=O)O 269956a_100000749485_100016988179 [0,1,0,0,0,0|3,0,0]=4 401 B15R1.121 CC(CNCc1cccc(c1)Br)C(=O)O 269956a_100000749485_100000211773 [0,1,0,0,0,0|2,0,0]=3 402 B15R1.121 CC(CNCc1cccc(c1)Cl)C(=O)O 269956a_100000749485_100000187163 [0,1,0,0,0,0|2,0,0]=3 403 B15R1.121 CC(CNCc1cccc(c1)F)C(=O)O 269956a_100000749485_100000230114 [0,1,0,0,0,0|2,0,0]=3 404 B15R1.121 CC(CNCc1cccc(c1)I)C(=O)O 269956a_100000749485_100011218688 [0,1,0,0,0,0|2,0,0]=3 405 B15R1.121 CC(CNCc1cccc(c1)O)C(=O)O 269956a_100000749485_100011660834 [0,1,0,0,0,0|2,0,0]=3 406 B15R1.121 CC(CNCc1cccc(n1)Br)C(=O)O 269956a_100000749485_100009889011 [0,1,0,0,0,0|3,0,0]=4 407 B15R1.121 CC(CNCc1cccc(n1)Cl)C(=O)O 269956a_100000749485_100000086093 [0,1,0,0,0,0|3,0,0]=4 408 B15R1.121 CC(CNCc1cccc(n1)F)C(=O)O 269956a_100000749485_100009819644 [0,1,0,0,0,0|3,0,0]=4 409 B15R1.121 CC(CNCc1ccnc(c1)Br)C(=O)O 269956a_100000749485_100010254460 [0,1,0,0,0,0|3,0,0]=4 410 B15R1.121 CC(CNCc1ccnc(c1)Cl)C(=O)O 269956a_100000749485_100000764220 [0,1,0,0,0,0|3,0,0]=4 411 B15R1.121 CC(CNCc1cncc(c1)Br)C(=O)O 269956a_100000749485_100000738771 [0,1,0,0,0,0|3,0,0]=4 412 B15R1.121 CC(CNCc1cncc(c1)Cl)C(=O)O 269956a_100000749485_100016992070 [0,1,0,0,0,0|3,0,0]=4 413 B15R1.121 CC(CNCc1cncc(c1)F)C(=O)O 269956a_100000749485_100000725299 [0,1,0,0,0,0|3,0,0]=4 414 B15R1.121 C[C@H](NCCc1cccc(c1)Br)C(=O)O 269956a_100000743915_100011740638 [0,1,0,0,0,0|3,0,0]=4 415 B15R1.121 C[C@H](NCCc1cccc(c1)Cl)C(=O)O 269956a_100000743915_100011713710 [0,1,0,0,0,0|3,0,0]=4 416 B15R1.121 C[C@H](NCCc1cccc(c1)F)C(=O)O 269956a_100000743915_100011217235 [0,1,0,0,0,0|3,0,0]=4 417 B15R1.121 Cc1cc(ccn1)CNCC(C)C(=O)O 269956a_100000749485_200020672517 [0,1,0,0,0,0|3,0,0]=4 418 B15R1.121 Cc1cc(ccn1)CNCC(F)C(=O)O 269956a_100000084737_200020672517 [0,1,0,0,0,0|3,0,0]=4 419 B15R1.121 Cc1cc(ccn1)COC[C@H](N)C(=O)N 34a_100000729942_200020672517 [0,1,0,0,0,0|2,1,0]=4 420 B15R1.121 Cc1cccc(c1)CCN[C@@H](C)C(=O)O 269956a_100000743915_100011713685 [0,1,0,0,0,0|3,0,0]=4 421 B15R1.121 Cc1cccc(c1)CNCC(C)C(=O)O 269956a_100000749485_100000005736 [0,1,0,0,0,0|2,0,0]=3 422 B15R1.121 Cc1cccc(c1)CNCC(F)C(=O)O 269956a_100000084737_100000005736 [0,1,0,0,0,0|2,0,0]=3 423 B15R1.121 Cc1cccc(c1)COC[C@H](N)C(=O)N 34a_100000729942_100000211840 [0,1,0,0,0,0|1,1,0]=3 424 B15R1.121 Cc1cccc(n1)CNCC(C)C(=O)O 269956a_100000749485_100000757606 [0,1,0,0,0,0|3,0,0]=4 425 B15R1.121 Cc1cccc(n1)CNCC(F)C(=O)O 269956a_100000084737_100000757606 [0,1,0,0,0,0|3,0,0]=4 426 B15R1.121 Cc1cccc(n1)COC[C@H](N)C(=O)N 34a_100000729942_100000757606 [0,1,0,0,0,0|2,1,0]=4 427 B15R1.121 Cc1ccnc(c1)CNCC(C)C(=O)O 269956a_100000749485_100000718516 [0,1,0,0,0,0|3,0,0]=4 428 B15R1.121 Cc1ccnc(c1)CNCC(F)C(=O)O 269956a_100000084737_100000718516 [0,1,0,0,0,0|3,0,0]=4 429 B15R1.121 Cc1ccnc(c1)COC[C@H](N)C(=O)N 34a_100000729942_100000718516 [0,1,0,0,0,0|2,1,0]=4 430 B15R1.121 Cc1cncc(c1)CNCC(C)C(=O)O 269956a_100000749485_100016988603 [0,1,0,0,0,0|3,0,0]=4 431 B15R1.121 Cc1cncc(c1)CNCC(F)C(=O)O 269956a_100000084737_100016988603 [0,1,0,0,0,0|3,0,0]=4 432 B15R1.121 Cc1cncc(c1)COC[C@H](N)C(=O)N 34a_100000729942_100000716715 [0,1,0,0,0,0|2,1,0]=4 433 B15R1.121 NC(=O)[C@@H](N)COCc1cc(ccn1)Br 34a_100000729942_100010173614 [0,1,0,0,0,0|2,1,0]=4 434 B15R1.121 NC(=O)[C@@H](N)COCc1cc(ccn1)Cl 34a_100000729942_100016988179 [0,1,0,0,0,0|2,1,0]=4 435 B15R1.121 NC(=O)[C@@H](N)COCc1cccc(c1)Br 34a_100000729942_100000698116 [0,1,0,0,0,0|1,1,0]=3 436 B15R1.121 NC(=O)[C@@H](N)COCc1cccc(c1)Cl 34a_100000729942_100000187163 [0,1,0,0,0,0|1,1,0]=3 437 B15R1.121 NC(=O)[C@@H](N)COCc1cccc(c1)F 34a_100000729942_100000187166 [0,1,0,0,0,0|1,1,0]=3 438 B15R1.121 NC(=O)[C@@H](N)COCc1cccc(c1)I 34a_100000729942_100011218688 [0,1,0,0,0,0|1,1,0]=3 439 B15R1.121 NC(=O)[C@@H](N)COCc1cccc(c1)O 34a_100000729942_100011660834 [0,1,0,0,0,0|1,1,0]=3 440 B15R1.121 NC(=O)[C@@H](N)COCc1cccc(n1)Br 34a_100000729942_100009889011 [0,1,0,0,0,0|2,1,0]=4 441 B15R1.121 NC(=O)[C@@H](N)COCc1cccc(n1)Cl 34a_100000729942_100000086093 [0,1,0,0,0,0|2,1,0]=4 442 B15R1.121 NC(=O)[C@@H](N)COCc1cccc(n1)F 34a_100000729942_100009819644 [0,1,0,0,0,0|2,1,0]=4 443 B15R1.121 NC(=O)[C@@H](N)COCc1ccnc(c1)Br 34a_100000729942_100010243470 [0,1,0,0,0,0|2,1,0]=4 444 B15R1.121 NC(=O)[C@@H](N)COCc1ccnc(c1)Cl 34a_100000729942_100000764220 [0,1,0,0,0,0|2,1,0]=4 445 B15R1.121 NC(=O)[C@@H](N)COCc1cncc(c1)Br 34a_100000729942_100000738771 [0,1,0,0,0,0|2,1,0]=4 446 B15R1.121 NC(=O)[C@@H](N)COCc1cncc(c1)Cl 34a_100000729942_100016992070 [0,1,0,0,0,0|2,1,0]=4 447 B15R1.121 NC(=O)[C@@H](N)COCc1cncc(c1)F 34a_100000729942_100000725299 [0,1,0,0,0,0|2,1,0]=4 448 B15R1.121 O=C(O)C(F)CNCc1cc(ccn1)Br 269956a_100000084737_100010173614 [0,1,0,0,0,0|3,0,0]=4 449 B15R1.121 O=C(O)C(F)CNCc1cc(ccn1)Cl 269956a_100000084737_100016988179 [0,1,0,0,0,0|3,0,0]=4 450 B15R1.121 O=C(O)C(F)CNCc1cccc(c1)Br 269956a_100000084737_100000211773 [0,1,0,0,0,0|2,0,0]=3 451 B15R1.121 O=C(O)C(F)CNCc1cccc(c1)Cl 269956a_100000084737_100000187163 [0,1,0,0,0,0|2,0,0]=3 452 B15R1.121 O=C(O)C(F)CNCc1cccc(c1)F 269956a_100000084737_100000230114 [0,1,0,0,0,0|2,0,0]=3 453 B15R1.121 O=C(O)C(F)CNCc1cccc(c1)I 269956a_100000084737_100011218688 [0,1,0,0,0,0|2,0,0]=3 454 B15R1.121 O=C(O)C(F)CNCc1cccc(c1)O 269956a_100000084737_100011660834 [0,1,0,0,0,0|2,0,0]=3 455 B15R1.121 O=C(O)C(F)CNCc1cccc(n1)Br 269956a_100000084737_100009889011 [0,1,0,0,0,0|3,0,0]=4 456 B15R1.121 O=C(O)C(F)CNCc1cccc(n1)Cl 269956a_100000084737_100000086093 [0,1,0,0,0,0|3,0,0]=4 457 B15R1.121 O=C(O)C(F)CNCc1cccc(n1)F 269956a_100000084737_100009819644 [0,1,0,0,0,0|3,0,0]=4 458 B15R1.121 O=C(O)C(F)CNCc1ccnc(c1)Br 269956a_100000084737_100010254460 [0,1,0,0,0,0|3,0,0]=4 459 B15R1.121 O=C(O)C(F)CNCc1ccnc(c1)Cl 269956a_100000084737_100000764220 [0,1,0,0,0,0|3,0,0]=4 460 B15R1.121 O=C(O)C(F)CNCc1cncc(c1)Br 269956a_100000084737_100000738771 [0,1,0,0,0,0|3,0,0]=4 461 B15R1.121 O=C(O)C(F)CNCc1cncc(c1)Cl 269956a_100000084737_100016992070 [0,1,0,0,0,0|3,0,0]=4 462 B15R1.121 O=C(O)C(F)CNCc1cncc(c1)F 269956a_100000084737_100000725299 [0,1,0,0,0,0|3,0,0]=4 463 B15R1.257 CC(=O)C(=O)CSCc1ccccc1Br 62a_100000184730_100011261029 [0,1,0,0,0,0|2,0,1]=4 464 B15R1.257 CC(=O)C(=O)CSCc1ccccc1Br 62a_100011261029_100000184730 [0,1,0,0,0,0|2,0,1]=4 465 B15R1.257 CC(=O)C(=O)CSCc1ccccc1C 62a_100000211839_100011261029 [0,1,0,0,0,0|2,0,1]=4 466 B15R1.257 CC(=O)C(=O)CSCc1ccccc1C 62a_100011261029_100000211839 [0,1,0,0,0,0|2,0,1]=4 467 B15R1.257 CC(=O)C(=O)CSCc1ccccc1Cl 62a_100000187162_100011261029 [0,1,0,0,0,0|2,0,1]=4 468 B15R1.257 CC(=O)C(=O)CSCc1ccccc1Cl 62a_100011261029_100000187162 [0,1,0,0,0,0|2,0,1]=4 469 B15R1.257 CC(=O)C(=O)CSCc1ccccc1F 62a_100000211605_100011261029 [0,1,0,0,0,0|2,0,1]=4 470 B15R1.257 CC(=O)C(=O)CSCc1ccccc1F 62a_100011261029_100000211605 [0,1,0,0,0,0|2,0,1]=4 471 B15R1.257 CC(=O)C(=O)CSCc1ccccc1I 62a_100011216222_100011261029 [0,1,0,0,0,0|2,0,1]=4 472 B15R1.257 CC(=O)C(=O)CSCc1ccccc1I 62a_100011261029_100011216222 [0,1,0,0,0,0|2,0,1]=4 473 B15R1.257 CC(=O)C(C)COCc1ccccc1Br 34a_100000032740_100000184730 [0,1,0,0,0,0|2,1,0]=4 474 B15R1.257 CC(=O)C(C)COCc1ccccc1Br 7a_100000032740_100000184730 [0,1,0,0,0,0|2,1,0]=4 475 B15R1.257 CC(=O)C(C)COCc1ccccc1C 34a_100000032740_100000211839 [0,1,0,0,0,0|2,1,0]=4 476 B15R1.257 CC(=O)C(C)COCc1ccccc1C 7a_100000032740_100000211839 [0,1,0,0,0,0|2,1,0]=4 477 B15R1.257 CC(=O)C(C)COCc1ccccc1Cl 34a_100000032740_100000187162 [0,1,0,0,0,0|2,1,0]=4 478 B15R1.257 CC(=O)C(C)COCc1ccccc1Cl 7a_100000032740_100000187162 [0,1,0,0,0,0|2,1,0]=4 479 B15R1.257 CC(=O)C(C)COCc1ccccc1F 34a_100000032740_100000211605 [0,1,0,0,0,0|2,1,0]=4 480 B15R1.257 CC(=O)C(C)COCc1ccccc1F 7a_100000032740_100000211605 [0,1,0,0,0,0|2,1,0]=4 481 B15R1.257 CC(=O)C(C)COCc1ccccc1I 34a_100000032740_100011215278 [0,1,0,0,0,0|2,1,0]=4 482 B15R1.257 CC(=O)C(C)COCc1ccccc1I 7a_100000032740_100011215278 [0,1,0,0,0,0|2,1,0]=4 483 B15R1.257 CC(CNCc1ccccc1Br)C(=O)O 269956a_100000749485_100000184730 [0,1,0,0,0,0|2,0,0]=3 484 B15R1.257 CC(CNCc1ccccc1Cl)C(=O)O 269956a_100000749485_100000187162 [0,1,0,0,0,0|2,0,0]=3 485 B15R1.257 CC(CNCc1ccccc1F)C(=O)O 269956a_100000749485_100000187165 [0,1,0,0,0,0|2,0,0]=3 486 B15R1.257 CC(CNCc1ccccc1I)C(=O)O 269956a_100000749485_100011216222 [0,1,0,0,0,0|2,0,0]=3 487 B15R1.257 CC(CNCc1cccnc1Br)C(=O)O 269956a_100000749485_100010140945 [0,1,0,0,0,0|3,0,0]=4 488 B15R1.257 CC(CNCc1cccnc1Cl)C(=O)O 269956a_100000749485_100000045678 [0,1,0,0,0,0|3,0,0]=4 489 B15R1.257 CC(CNCc1cccnc1F)C(=O)O 269956a_100000749485_100000099810 [0,1,0,0,0,0|3,0,0]=4 490 B15R1.257 CC(CNCc1ccncc1Cl)C(=O)O 269956a_100000749485_100000763264 [0,1,0,0,0,0|3,0,0]=4 491 B15R1.257 CC(CNCc1ncccc1Br)C(=O)O 269956a_100000749485_100025702911 [0,1,0,0,0,0|3,0,0]=4 492 B15R1.257 CC(CNCc1ncccc1Cl)C(=O)O 269956a_100000749485_100000099807 [0,1,0,0,0,0|3,0,0]=4 493 B15R1.257 CC(CNCc1ncccc1F)C(=O)O 269956a_100000749485_100000104219 [0,1,0,0,0,0|3,0,0]=4 494 B15R1.257 CC(CNCc1ncccc1O)C(=O)O 269956a_100000749485_200020655725 [0,1,0,0,0,0|3,0,0]=4 495 B15R1.257 C[C@H](NCCc1ccccc1Br)C(=O)O 269956a_100000743915_100012161201 [0,1,0,0,0,0|3,0,0]=4 496 B15R1.257 C[C@H](NCCc1ccccc1Cl)C(=O)O 269956a_100000743915_100011713703 [0,1,0,0,0,0|3,0,0]=4 497 B15R1.257 C[C@H](NCCc1ccccc1F)C(=O)O 269956a_100000743915_100011713696 [0,1,0,0,0,0|3,0,0]=4 498 B15R1.257 C[C@H](NCCc1ccccc1O)C(=O)O 269956a_100000743915_100000722297 [0,1,0,0,0,0|3,0,0]=4 499 B15R1.257 Cc1ccccc1CCN[C@@H](C)C(=O)O 269956a_100000743915_100011713688 [0,1,0,0,0,0|3,0,0]=4 500 B15R1.257 Cc1ccccc1CNCC(C)C(=O)O 269956a_100000749485_100000211750 [0,1,0,0,0,0|2,0,0]=3 501 B15R1.257 Cc1ccccc1CNCC(F)C(=O)O 269956a_100000084737_100000211750 [0,1,0,0,0,0|2,0,0]=3 502 B15R1.257 Cc1ccccc1COC[C@H](N)C(=O)N 34a_100000729942_100000211839 [0,1,0,0,0,0|1,1,0]=3 503 B15R1.257 Cc1cccnc1CNCC(C)C(=O)O 269956a_100000749485_100000696600 [0,1,0,0,0,0|3,0,0]=4 504 B15R1.257 Cc1cccnc1CNCC(F)C(=O)O 269956a_100000084737_100000696600 [0,1,0,0,0,0|3,0,0]=4 505 B15R1.257 Cc1cccnc1COC[C@H](N)C(=O)N 34a_100000729942_100000696600 [0,1,0,0,0,0|2,1,0]=4 506 B15R1.257 Cc1ccncc1CNCC(C)C(=O)O 269956a_100000749485_100000690890 [0,1,0,0,0,0|3,0,0]=4 507 B15R1.257 Cc1ccncc1CNCC(F)C(=O)O 269956a_100000084737_100000690890 [0,1,0,0,0,0|3,0,0]=4 508 B15R1.257 Cc1ccncc1COC[C@H](N)C(=O)N 34a_100000729942_100000690890 [0,1,0,0,0,0|2,1,0]=4 509 B15R1.257 Cc1cnccc1CNCC(C)C(=O)O 269956a_100000749485_100020672808 [0,1,0,0,0,0|3,0,0]=4 510 B15R1.257 Cc1cnccc1CNCC(F)C(=O)O 269956a_100000084737_100020672808 [0,1,0,0,0,0|3,0,0]=4 511 B15R1.257 Cc1cnccc1COC[C@H](N)C(=O)N 34a_100000729942_100020672809 [0,1,0,0,0,0|2,1,0]=4 512 B15R1.257 Cc1ncccc1CNCC(C)C(=O)O 269956a_100000749485_100000732876 [0,1,0,0,0,0|3,0,0]=4 513 B15R1.257 Cc1ncccc1CNCC(F)C(=O)O 269956a_100000084737_100000732876 [0,1,0,0,0,0|3,0,0]=4 514 B15R1.257 Cc1ncccc1COC[C@H](N)C(=O)N 34a_100000729942_100000732876 [0,1,0,0,0,0|2,1,0]=4 515 B15R1.257 NC(=O)[C@@H](N)COCc1ccccc1Br 34a_100000729942_100000184730 [0,1,0,0,0,0|1,1,0]=3 516 B15R1.257 NC(=O)[C@@H](N)COCc1ccccc1Cl 34a_100000729942_100000187162 [0,1,0,0,0,0|1,1,0]=3 517 B15R1.257 NC(=O)[C@@H](N)COCc1ccccc1F 34a_100000729942_100000211605 [0,1,0,0,0,0|1,1,0]=3 518 B15R1.257 NC(=O)[C@@H](N)COCc1ccccc1I 34a_100000729942_100011215278 [0,1,0,0,0,0|1,1,0]=3 519 B15R1.257 NC(=O)[C@@H](N)COCc1cccnc1Br 34a_100000729942_100010140945 [0,1,0,0,0,0|2,1,0]=4 520 B15R1.257 NC(=O)[C@@H](N)COCc1cccnc1Cl 34a_100000729942_100000045678 [0,1,0,0,0,0|2,1,0]=4 521 B15R1.257 NC(=O)[C@@H](N)COCc1cccnc1F 34a_100000729942_100000099810 [0,1,0,0,0,0|2,1,0]=4 522 B15R1.257 NC(=O)[C@@H](N)COCc1ncccc1Br 34a_100000729942_100025702911 [0,1,0,0,0,0|2,1,0]=4 523 B15R1.257 NC(=O)[C@@H](N)COCc1ncccc1F 34a_100000729942_100000104219 [0,1,0,0,0,0|2,1,0]=4 524 B15R1.257 NC(=O)[C@@H](N)COCc1ncccc1O 34a_100000729942_200020655725 [0,1,0,0,0,0|2,1,0]=4 525 B15R1.257 O=C(O)C(F)CNCc1ccccc1Br 269956a_100000084737_100000184730 [0,1,0,0,0,0|2,0,0]=3 526 B15R1.257 O=C(O)C(F)CNCc1ccccc1Cl 269956a_100000084737_100000187162 [0,1,0,0,0,0|2,0,0]=3 527 B15R1.257 O=C(O)C(F)CNCc1ccccc1F 269956a_100000084737_100000187165 [0,1,0,0,0,0|2,0,0]=3 528 B15R1.257 O=C(O)C(F)CNCc1ccccc1I 269956a_100000084737_100011216222 [0,1,0,0,0,0|2,0,0]=3 529 B15R1.257 O=C(O)C(F)CNCc1cccnc1Br 269956a_100000084737_100010140945 [0,1,0,0,0,0|3,0,0]=4 530 B15R1.257 O=C(O)C(F)CNCc1cccnc1Cl 269956a_100000084737_100000045678 [0,1,0,0,0,0|3,0,0]=4 531 B15R1.257 O=C(O)C(F)CNCc1cccnc1F 269956a_100000084737_100000099810 [0,1,0,0,0,0|3,0,0]=4 532 B15R1.257 O=C(O)C(F)CNCc1ccncc1Cl 269956a_100000084737_100000763264 [0,1,0,0,0,0|3,0,0]=4 533 B15R1.257 O=C(O)C(F)CNCc1ncccc1Br 269956a_100000084737_100025702911 [0,1,0,0,0,0|3,0,0]=4 534 B15R1.257 O=C(O)C(F)CNCc1ncccc1Cl 269956a_100000084737_100000099807 [0,1,0,0,0,0|3,0,0]=4 535 B15R1.257 O=C(O)C(F)CNCc1ncccc1F 269956a_100000084737_100000104219 [0,1,0,0,0,0|3,0,0]=4 536 B15R1.257 O=C(O)C(F)CNCc1ncccc1O 269956a_100000084737_200020655725 [0,1,0,0,0,0|3,0,0]=4 537 B15R1.500 CC(=O)C(=O)CSC(C)c1ccccc1 62a_100000230085_100011261029 [0,1,0,0,0,0|2,0,1]=4 538 B15R1.500 CC(=O)C(=O)CSC(C)c1ccccc1 62a_100011261029_100000230085 [0,1,0,0,0,0|2,0,1]=4 539 B15R1.500 CC(=O)C(C)COC(C)c1ccccc1 34a_100000032740_100000211855 [0,1,0,0,0,0|2,1,0]=4 540 B15R1.500 CC(=O)C(C)COC(C)c1ccccc1 7a_100000032740_100000230085 [0,1,0,0,0,0|2,1,0]=4 541 B15R1.500 CC(=O)[C@H](C)CSC(=O)c1ccccc1 1458a_100016998329_200000210301 [0,1,0,0,0,0|2,0,1]=4 542 B15R1.500 CC(CNC(C)c1ccccc1)C(=O)O 269956a_100000749485_100000211855 [0,1,0,0,0,0|2,0,0]=3 543 B15R1.500 CC(CN[C@@H](C)C(=O)O)c1ccccc1 269956a_100000743915_100000756946 [0,1,0,0,0,0|3,0,0]=4 544 B15R1.500 CC(NCC(F)C(=O)O)c1ccccc1 269956a_100000084737_100000211855 [0,1,0,0,0,0|2,0,0]=3 545 B15R1.500 CC(OC[C@H](N)C(=O)N)c1ccccc1 34a_100000729942_100000211855 [0,1,0,0,0,0|1,1,0]=3 546 B15R1.500 C[C@H](CSC(=O)c1ccccc1)C(=O)[13CH3] 1458a_100016998329_200025704644 [0,1,0,0,0,0|2,0,1]=4 547 B15R1.500 C[C@H](NCC(O)c1ccccc1)C(=O)O 269956a_100000743915_100000185958 [0,1,0,0,0,0|3,0,0]=4 548 B15R1.500 C[C@H](NC[C@@H](O)c1ccccc1)C(=O)O 269956a_100000743915_100011933945 [0,1,0,0,0,0|3,0,0]=4 549 B15R1.1321 C#CC(=O)C(C)CCCc1ccccc1 1458a_100000211873_200010759516 [0,1,0,0,0,0|3,0,0]=4 550 B15R1.1321 C=C(CNCc1ccccc1)C(=O)OC 34a_100015324214_100009813391 [0,1,0,0,0,0|2,0,1]=4 551 B15R1.1321 C=C(COCc1ccccc1)C(=O)OC 34a_100000210790_100009813391 [0,1,0,0,0,0|1,1,1]=4 552 B15R1.1321 C=C(CSCc1ccccc1)C(=O)OC 62a_100000211182_100009813391 [0,1,0,0,0,0|1,0,1]=3 553 B15R1.1321 C=C(CSCc1ccccc1)C(=O)OC 62a_100009813391_100015291786 [0,1,0,0,0,0|1,0,1]=3 554 B15R1.1321 C=C(CSCc1ccccn1)C(=O)OC 62a_100000721315_100009813391 [0,1,0,0,0,0|2,0,1]=4 555 B15R1.1321 C=C(CSCc1ccccn1)C(=O)OC 62a_100009813391_100000721315 [0,1,0,0,0,0|2,0,1]=4 556 B15R1.1321 C=C(CSCc1cccnc1)C(=O)OC 62a_100000741622_100009813391 [0,1,0,0,0,0|2,0,1]=4 557 B15R1.1321 C=C(CSCc1cccnc1)C(=O)OC 62a_100009813391_100000741622 [0,1,0,0,0,0|2,0,1]=4 558 B15R1.1321 C=C(CSCc1ccncc1)C(=O)OC 62a_100009813391_100015193705 [0,1,0,0,0,0|2,0,1]=4 559 B15R1.1321 C=C(CSCc1ccncc1)C(=O)OC 62a_100015193705_100009813391 [0,1,0,0,0,0|2,0,1]=4 560 B15R1.1321 C=CC(=O)C(C)CCCc1ccccc1 1458a_100000185746_200010759516 [0,1,0,0,0,0|3,0,0]=4 561 B15R1.1321 CC(CCCc1ccccc1)C(=O)CO 1458a_100000210174_200010759516 [0,1,0,0,0,0|2,0,0]=3 562 B15R1.1321 CCC(=O)C(C)CCCc1ccccc1 1458a_100000210414_200010759516 [0,1,0,0,0,0|3,0,0]=4 563 B15R1.1321 CN(CCCc1ccccc1)C(=O)CO 240690a_100000693637_100000210174 [0,1,0,0,0,0|3,0,0]=4 564 B15R1.1321 CN(CCCc1ccccc1)C(=O)CO 527a_100000693637_100000210174 [0,1,0,0,0,0|3,0,0]=4 565 B15R1.1321 CNC(=O)C(=O)CSCc1ccccc1 1458a_100011218921_200011217039 [0,1,0,0,0,0|2,0,1]=4 566 B15R1.1321 CNC(=O)C(C)CNCc1ccccc1 207a_100015187722_100015611070 [0,1,0,0,0,0|3,0,0]=4 567 B15R1.1321 CNC(=O)C(C)CNCc1ccccc1 2230a_100015187722_100015291786 [0,1,0,0,0,0|3,0,0]=4 568 B15R1.1321 CNC(=O)C(C)CNCc1ccccc1 270004a_100015187722_100015611070 [0,1,0,0,0,0|3,0,0]=4 569 B15R1.1321 CNC(=O)C(C)CNCc1ccccc1 34a_100015187722_100015291786 [0,1,0,0,0,0|3,0,0]=4 570 B15R1.1321 COC(=O)C(=O)CNCc1ccccc1 34a_100015324214_100011610305 [0,1,0,0,0,0|2,0,1]=4 571 B15R1.1321 COC(=O)C(=O)COCc1ccccc1 34a_100000210790_100011610305 [0,1,0,0,0,0|1,1,1]=4 572 B15R1.1321 COC(=O)C(=O)CSCc1ccccc1 62a_100000211182_100011610305 [0,1,0,0,0,0|1,0,1]=3 573 B15R1.1321 COC(=O)C(=O)CSCc1ccccc1 62a_100011610305_100015291786 [0,1,0,0,0,0|1,0,1]=3 574 B15R1.1321 COC(=O)C(=O)CSCc1ccccn1 62a_100000721315_100011610305 [0,1,0,0,0,0|2,0,1]=4 575 B15R1.1321 COC(=O)C(=O)CSCc1ccccn1 62a_100011610305_100000721315 [0,1,0,0,0,0|2,0,1]=4 576 B15R1.1321 COC(=O)C(=O)CSCc1cccnc1 62a_100000741622_100011610305 [0,1,0,0,0,0|2,0,1]=4 577 B15R1.1321 COC(=O)C(=O)CSCc1cccnc1 62a_100011610305_100000741622 [0,1,0,0,0,0|2,0,1]=4 578 B15R1.1321 COC(=O)C(=O)CSCc1ccncc1 62a_100011610305_100015193705 [0,1,0,0,0,0|2,0,1]=4 579 B15R1.1321 COC(=O)C(=O)CSCc1ccncc1 62a_100015193705_100011610305 [0,1,0,0,0,0|2,0,1]=4 580 B15R1.1321 COC(=O)C(C)CCNc1ccccc1 34a_100000106764_100000034942 [0,1,0,0,0,0|3,0,0]=4 581 B15R1.1321 COC(=O)C(C)CCOc1ccccc1 34a_100000210340_100000034942 [0,1,0,0,0,0|3,0,0]=4 582 B15R1.1321 COC(=O)C(C)CCOc1ccccc1 7a_100000210340_100000034942 [0,1,0,0,0,0|3,0,0]=4 583 B15R1.1321 COC(=O)C(C)CCSc1ccccc1 62a_100000034942_100000041952 [0,1,0,0,0,0|3,0,0]=4 584 B15R1.1321 COC(=O)C(C)CCSc1ccccc1 62a_100000719477_100000034942 [0,1,0,0,0,0|3,0,0]=4 585 B15R1.1321 COC(=O)C(C)CNCc1ccccc1 34a_100015324214_100000698445 [0,1,0,0,0,0|2,0,0]=3 586 B15R1.1321 COC(=O)C(C)COCc1ccccc1 34a_100000210790_100000698445 [0,1,0,0,0,0|1,1,0]=3 587 B15R1.1321 COC(=O)C(C)COCc1ccccc1 34a_100000749362_100015291786 [0,1,0,0,0,0|1,1,0]=3 588 B15R1.1321 COC(=O)C(C)COCc1ccccc1 7a_100000749362_100000211182 [0,1,0,0,0,0|1,1,0]=3 589 B15R1.1321 COC(=O)C(C)COCc1ccccn1 34a_100000749362_100000721315 [0,1,0,0,0,0|2,1,0]=4 590 B15R1.1321 COC(=O)C(C)COCc1ccccn1 7a_100000749362_100000721315 [0,1,0,0,0,0|2,1,0]=4 591 B15R1.1321 COC(=O)C(C)COCc1cccnc1 34a_100000749362_100000733263 [0,1,0,0,0,0|2,1,0]=4 592 B15R1.1321 COC(=O)C(C)COCc1cccnc1 7a_100000749362_100000741622 [0,1,0,0,0,0|2,1,0]=4 593 B15R1.1321 COC(=O)C(C)COCc1ccncc1 7a_100000749362_100015193705 [0,1,0,0,0,0|2,1,0]=4 594 B15R1.1321 COC(=O)C(C)CSCc1ccccc1 62a_100000211182_100000698445 [0,1,0,0,0,0|1,0,0]=2 595 B15R1.1321 COC(=O)C(C)CSCc1ccccc1 62a_100000698445_100015291786 [0,1,0,0,0,0|1,0,0]=2 596 B15R1.1321 COC(=O)C(C)CSCc1ccccn1 62a_100000698445_100000721315 [0,1,0,0,0,0|2,0,0]=3 597 B15R1.1321 COC(=O)C(C)CSCc1ccccn1 62a_100000721315_100000698445 [0,1,0,0,0,0|2,0,0]=3 598 B15R1.1321 COC(=O)C(C)CSCc1cccnc1 62a_100000698445_100000741622 [0,1,0,0,0,0|2,0,0]=3 599 B15R1.1321 COC(=O)C(C)CSCc1cccnc1 62a_100000741622_100000698445 [0,1,0,0,0,0|2,0,0]=3 600 B15R1.1321 COC(=O)C(C)CSCc1cccnn1 62a_100000698445_100016990269 [0,1,0,0,0,0|3,0,0]=4 601 B15R1.1321 COC(=O)C(C)CSCc1cccnn1 62a_100016990269_100000698445 [0,1,0,0,0,0|3,0,0]=4 602 B15R1.1321 COC(=O)C(C)CSCc1ccncc1 62a_100000698445_100015193705 [0,1,0,0,0,0|2,0,0]=3 603 B15R1.1321 COC(=O)C(C)CSCc1ccncc1 62a_100015193705_100000698445 [0,1,0,0,0,0|2,0,0]=3 604 B15R1.1321 COC(=O)C(C)CSCc1cnccn1 62a_100000698445_100016995436 [0,1,0,0,0,0|3,0,0]=4 605 B15R1.1321 COC(=O)C(C)CSCc1cnccn1 62a_100016995436_100000698445 [0,1,0,0,0,0|3,0,0]=4 606 B15R1.1321 COC(=O)C(C)CSCc1cncnc1 62a_100000698445_100015196519 [0,1,0,0,0,0|3,0,0]=4 607 B15R1.1321 COC(=O)C(C)CSCc1cncnc1 62a_100015196519_100000698445 [0,1,0,0,0,0|3,0,0]=4 608 B15R1.1321 COC(=O)C(C)CSCc1ncccn1 62a_100000698445_100000703007 [0,1,0,0,0,0|3,0,0]=4 609 B15R1.1321 COC(=O)C(C)CSCc1ncccn1 62a_100000703007_100000698445 [0,1,0,0,0,0|3,0,0]=4 610 B15R1.1321 COC(=O)C(C)NCCc1ccccc1 2230a_100000106460_100000211248 [0,1,0,0,0,0|3,0,0]=4 611 B15R1.1321 COC(=O)C(C)NCCc1ccccc1 34a_100000106460_100000211248 [0,1,0,0,0,0|3,0,0]=4 612 B15R1.1321 COC(=O)C(C)OCCc1ccccc1 34a_100000210268_100000211248 [0,1,0,0,0,0|3,0,0]=4 613 B15R1.1321 COC(=O)C(C)OCCc1ccccc1 34a_100011215400_100000765856 [0,1,0,0,0,0|3,0,0]=4 614 B15R1.1321 COC(=O)C(C)OCCc1ccccc1 7a_100000210268_100000211248 [0,1,0,0,0,0|3,0,0]=4 615 B15R1.1321 COC(=O)C(C)SCCc1ccccc1 62a_100000211248_100011218657 [0,1,0,0,0,0|3,0,0]=4 616 B15R1.1321 COC(=O)C(C)SCCc1ccccc1 62a_100000765856_100000211248 [0,1,0,0,0,0|3,0,0]=4 617 B15R1.1321 COC(=O)C(F)COCc1ccccc1 34a_200009849844_100015291786 [0,1,0,0,0,0|1,1,0]=3 618 B15R1.1321 COC(=O)C(F)COCc1ccccn1 34a_200009849844_100000721315 [0,1,0,0,0,0|2,1,0]=4 619 B15R1.1321 COC(=O)C(F)COCc1cccnc1 34a_200009849844_100000733263 [0,1,0,0,0,0|2,1,0]=4 620 B15R1.1321 COC(=O)[C@H](N)COCc1ccccc1 34a_100000003586_100015291786 [0,1,0,0,0,0|0,1,0]=2 621 B15R1.1321 COC(=O)[C@H](N)COCc1ccccn1 34a_100000003586_100000721315 [0,1,0,0,0,0|1,1,0]=3 622 B15R1.1321 COC(=O)[C@H](N)COCc1cccnc1 34a_100000003586_100000733263 [0,1,0,0,0,0|1,1,0]=3 623 B15R1.1321 COC(=O)[C@H](N)COCc1cccnn1 34a_100000003586_100016990269 [0,1,0,0,0,0|2,1,0]=4 624 B15R1.1321 COC(=O)[C@H](N)COCc1cnccn1 34a_100000003586_100016995436 [0,1,0,0,0,0|2,1,0]=4 625 B15R1.1321 COC(=O)[C@H](N)COCc1cncnc1 34a_100000003586_100015196519 [0,1,0,0,0,0|2,1,0]=4 626 B15R1.1321 COC(=O)[C@H](N)COCc1ncccn1 34a_100000003586_100000703007 [0,1,0,0,0,0|2,1,0]=4 627 B15R1.1321 NNC(=O)C(N)COCc1ccccc1 34a_100016989258_100015291786 [0,1,0,0,0,0|1,1,0]=3 628 B15R1.1321 NNC(=O)C(N)COCc1ccccn1 34a_100016989258_100000721315 [0,1,0,0,0,0|2,1,0]=4 629 B15R1.1321 NNC(=O)C(N)COCc1cccnc1 34a_100016989258_100000733263 [0,1,0,0,0,0|2,1,0]=4 630 B15R1.3010 C=C[C@H](NCCc1ccccc1)C(=O)O 269956a_100016992060_100000765856 [0,1,0,0,0,0|3,0,0]=4 631 B15R1.3010 CC[C@@H](NCCc1ccccc1)C(=O)O 269956a_100000747097_100000765856 [0,1,0,0,0,0|3,0,0]=4 632 B15R1.3010 CN[C@@H](COCc1ccccc1)C(=O)O 269956a_100011417569_200000210301 [0,1,0,0,0,0|0,1,0]=2 633 B15R1.3010 CN[C@@H](CSCc1ccccc1)C(=O)O 269956a_100011418422_200000210301 [0,1,0,0,0,0|0,0,0]=1 634 B15R1.3010 CN[C@H](C/C=C/c1ccccc1)C(=O)O 269956a_200011934175_200000210301 [0,1,0,0,0,0|1,0,1]=3 635 B15R1.3010 O=C(O)C(CO)NCCc1ccccc1 269956a_100000187304_100000765856 [0,1,0,0,0,0|3,0,0]=4 636 B15R1.3010 [13CH3]N[C@@H](COCc1ccccc1)C(=O)O 269956a_100011417569_200025704644 [0,1,0,0,0,0|0,1,0]=2 637 B15R1.3010 [13CH3]N[C@@H](CSCc1ccccc1)C(=O)O 269956a_100011418422_200025704644 [0,1,0,0,0,0|0,0,0]=1 638 B15R1.3010 [13CH3]N[C@H](C/C=C/c1ccccc1)C(=O)O 269956a_200011934175_200025704644 [0,1,0,0,0,0|1,0,1]=3 639 B15R1.3675 CC(Cc1ccccc1)N[C@@H](C)C(=O)O 269956a_100000743915_200011218536 [0,1,0,0,0,0|3,0,0]=4 640 B15R1.3678 CC(C(=O)O)N(C)CCc1ccccc1 269956a_100000749554_100000765856 [0,1,0,0,0,0|3,0,0]=4 641 B15R1.3678 C[C@@H](OCc1ccccc1)[C@H](N)C(=O)N 34a_100000003557_100015291786 [0,1,0,0,0,0|1,1,0]=3 642 B15R1.3678 C[C@@H](OCc1ccccn1)[C@H](N)C(=O)N 34a_100000003557_100000721315 [0,1,0,0,0,0|2,1,0]=4 643 B15R1.3678 C[C@@H](OCc1cccnc1)[C@H](N)C(=O)N 34a_100000003557_100000733263 [0,1,0,0,0,0|2,1,0]=4 644 B15R1.9012 CC(C)(CNCc1ccccc1)C(=O)N 207a_100000740840_100015611070 [0,1,0,0,0,0|3,0,0]=4 645 B15R1.9012 CC(C)(CNCc1ccccc1)C(=O)N 2230a_100000740840_100015291786 [0,1,0,0,0,0|3,0,0]=4 646 B15R1.9012 CC(C)(CNCc1ccccc1)C(=O)N 270004a_100000740840_100015611070 [0,1,0,0,0,0|3,0,0]=4 647 B15R1.9012 CC(C)(CNCc1ccccc1)C(=O)N 34a_100000740840_100015291786 [0,1,0,0,0,0|3,0,0]=4 648 B15R1.9012 CC(C)(CNCc1ccccc1)C(=O)N 34a_100015324214_200009895572 [0,1,0,0,0,0|3,0,0]=4 649 B15R1.9012 CC(C)(CNCc1ccccc1)C(=O)O 269956a_100000693527_100015291786 [0,1,0,0,0,0|2,0,0]=3 650 B15R1.9012 CC(C)(CNCc1ccccn1)C(=O)O 269956a_100000693527_100000721315 [0,1,0,0,0,0|3,0,0]=4 651 B15R1.9012 CC(C)(CNCc1cccnc1)C(=O)O 269956a_100000693527_100000733263 [0,1,0,0,0,0|3,0,0]=4 652 B15R1.9012 CC(C)(CNCc1ccncc1)C(=O)O 269956a_100000693527_100015193705 [0,1,0,0,0,0|3,0,0]=4 653 B15R1.9012 CC(C)(COCc1ccccc1)C(=O)N 34a_100000210790_200009895572 [0,1,0,0,0,0|2,1,0]=4 654 B15R1.9012 CC(C)(CSCc1ccccc1)C(=O)N 62a_100000211182_200009895572 [0,1,0,0,0,0|2,0,0]=3 655 B15R1.9012 CC(C)(CSCc1ccccc1)C(=O)N 62a_200009895572_100015291786 [0,1,0,0,0,0|2,0,0]=3 656 B15R1.9012 CC(C)(CSCc1ccccn1)C(=O)N 62a_100000721315_200009895572 [0,1,0,0,0,0|3,0,0]=4 657 B15R1.9012 CC(C)(CSCc1ccccn1)C(=O)N 62a_200009895572_100000721315 [0,1,0,0,0,0|3,0,0]=4 658 B15R1.9012 CC(C)(CSCc1cccnc1)C(=O)N 62a_100000741622_200009895572 [0,1,0,0,0,0|3,0,0]=4 659 B15R1.9012 CC(C)(CSCc1cccnc1)C(=O)N 62a_200009895572_100000741622 [0,1,0,0,0,0|3,0,0]=4 660 B15R1.9012 CC(C)(CSCc1ccncc1)C(=O)N 62a_100015193705_200009895572 [0,1,0,0,0,0|3,0,0]=4 661 B15R1.9012 CC(C)(CSCc1ccncc1)C(=O)N 62a_200009895572_100015193705 [0,1,0,0,0,0|3,0,0]=4 662 B15R1.9012 CC(C)(ONCc1ccccc1)C(=O)O 269956a_100016989451_100015291786 [0,1,0,0,0,0|3,0,0]=4 663 B15R1.9012 O=C(O)C(F)(F)CNCc1ccccc1 269956a_100000734215_100015291786 [0,1,0,0,0,0|2,0,0]=3 664 B15R1.9012 O=C(O)C(F)(F)CNCc1ccccn1 269956a_100000734215_100000721315 [0,1,0,0,0,0|3,0,0]=4 665 B15R1.9012 O=C(O)C(F)(F)CNCc1cccnc1 269956a_100000734215_100000733263 [0,1,0,0,0,0|3,0,0]=4 666 B15R1.9012 O=C(O)C(F)(F)CNCc1ccncc1 269956a_100000734215_100015193705 [0,1,0,0,0,0|3,0,0]=4 667 B15R1.9095 O=S(=O)([O-])C(O)CSCc1ccccc1 62a_100000211182_200000035551 [0,1,0,0,0,0|2,0,1]=4 668 B15R1.9095 O=S(=O)([O-])C(O)CSCc1ccccc1 62a_200000035551_100015291786 [0,1,0,0,0,0|2,0,1]=4 669 B15R2.1244 NC(=O)C1CN(C1)Cc2ccccc2 270004a_100025753142_100015611070 [0,0,0,1,0,0|3,0,0]=4 670 B15R2.1244 NC(=O)C1CN(C1)Cc2ccccc2 34a_100025753142_100015291786 [0,0,0,1,0,0|3,0,0]=4 671 B15R2.107888 C[C@H](NC1Cc2c1cccc2)C(=O)O 269956a_100000743915_100009813401 [0,0,0,1,0,0|3,0,0]=4 672 B13R1.351 CC(=O)C(=O)CSc1ccccc1 62a_100000719477_100011261029 [0,0,0,0,1,0|2,0,1]=4 673 B13R1.351 CC(=O)C(=O)CSc1ccccc1 62a_100011261029_100000041952 [0,0,0,0,1,0|2,0,1]=4 674 B13R1.351 CC(=O)C(C)CCc1ccccc1 1458a_100011435293_200000210301 [0,0,0,0,1,0|2,0,0]=3 675 B13R1.351 CC(=O)C(C)NCc1ccccc1 2230a_100015324214_100009814033 [0,0,0,0,1,0|3,0,0]=4 676 B13R1.351 CC(=O)C(C)OCc1ccccc1 34a_100000212229_100015291786 [0,0,0,0,1,0|2,1,0]=4 677 B13R1.351 CC(=O)C(C)OCc1ccccc1 7a_100000210790_100000179758 [0,0,0,0,1,0|2,1,0]=4 678 B13R1.351 CC(=O)C(C)SCc1ccccc1 1458a_100000149570_200000210301 [0,0,0,0,1,0|2,0,0]=3 679 B13R1.351 CC(=O)C(C)SCc1ccccc1 62a_100000211182_100009814033 [0,0,0,0,1,0|2,0,0]=3 680 B13R1.351 CC(=O)C(C)SCc1ccccc1 62a_100009814033_100015291786 [0,0,0,0,1,0|2,0,0]=3 681 B13R1.351 CC(=O)C(C)SCc1ccccn1 62a_100000721315_100009814033 [0,0,0,0,1,0|3,0,0]=4 682 B13R1.351 CC(=O)C(C)SCc1ccccn1 62a_100009814033_100000721315 [0,0,0,0,1,0|3,0,0]=4 683 B13R1.351 CC(=O)C(C)SCc1cccnc1 62a_100000741622_100009814033 [0,0,0,0,1,0|3,0,0]=4 684 B13R1.351 CC(=O)C(C)SCc1cccnc1 62a_100009814033_100000741622 [0,0,0,0,1,0|3,0,0]=4 685 B13R1.351 CC(=O)C(C)SCc1ccncc1 62a_100009814033_100015193705 [0,0,0,0,1,0|3,0,0]=4 686 B13R1.351 CC(=O)C(C)SCc1ccncc1 62a_100015193705_100009814033 [0,0,0,0,1,0|3,0,0]=4 687 B13R1.351 CC(=O)C(O)CCc1ccccc1 1458a_100000242596_200000210301 [0,0,0,0,1,0|2,0,0]=3 688 B13R1.351 CC(=O)N(C)CCc1ccccc1 11a_100000207497_100015343762 [0,0,0,0,1,0|3,0,0]=4 689 B13R1.351 CC(=O)N(C)CCc1ccccc1 1626a_100000207497_100015343762 [0,0,0,0,1,0|3,0,0]=4 690 B13R1.351 CC(=O)N(C)CCc1ccccc1 240690a_100000207497_100015343762 [0,0,0,0,1,0|3,0,0]=4 691 B13R1.351 CC(=O)N(C)CCc1ccccc1 527a_100000207497_100103153847 [0,0,0,0,1,0|3,0,0]=4 692 B13R1.351 CC(=O)[C@H](C)OCc1ccccc1 1458a_100000703211_200000210301 [0,0,0,0,1,0|2,1,0]=4 693 B13R1.351 CC(CCc1ccccc1)C(=O)[13CH3] 1458a_100011435293_200025704644 [0,0,0,0,1,0|2,0,0]=3 694 B13R1.351 CC(NCc1ccccc1)C(=O)N 2230a_100015324214_100000702099 [0,0,0,0,1,0|3,0,0]=4 695 B13R1.351 CC(NCc1ccccc1)C(=O)N 34a_100015324214_100000702099 [0,0,0,0,1,0|3,0,0]=4 696 B13R1.351 CC(OCc1ccccc1)C(=O)N 34a_100000210790_100000702099 [0,0,0,0,1,0|2,1,0]=4 697 B13R1.351 CC(OCc1ccccc1)C(=O)N 7a_100000210790_100000702099 [0,0,0,0,1,0|2,1,0]=4 698 B13R1.351 CC(SCc1ccccc1)C(=O)N 62a_100000211182_100000702099 [0,0,0,0,1,0|2,0,0]=3 699 B13R1.351 CC(SCc1ccccc1)C(=O)N 62a_100000702099_100015291786 [0,0,0,0,1,0|2,0,0]=3 700 B13R1.351 CC(SCc1ccccc1)C(=O)[13CH3] 1458a_100000149570_200025704644 [0,0,0,0,1,0|2,0,0]=3 701 B13R1.351 CC(SCc1ccccn1)C(=O)N 62a_100000702099_100000721315 [0,0,0,0,1,0|3,0,0]=4 702 B13R1.351 CC(SCc1ccccn1)C(=O)N 62a_100000721315_100000702099 [0,0,0,0,1,0|3,0,0]=4 703 B13R1.351 CC(SCc1cccnc1)C(=O)N 62a_100000702099_100000741622 [0,0,0,0,1,0|3,0,0]=4 704 B13R1.351 CC(SCc1cccnc1)C(=O)N 62a_100000741622_100000702099 [0,0,0,0,1,0|3,0,0]=4 705 B13R1.351 CC(SCc1ccncc1)C(=O)N 62a_100000702099_100015193705 [0,0,0,0,1,0|3,0,0]=4 706 B13R1.351 CC(SCc1ccncc1)C(=O)N 62a_100015193705_100000702099 [0,0,0,0,1,0|3,0,0]=4 707 B13R1.351 C[C@@H](NCc1ccccc1)C(=O)N 2230a_100000119354_100015291786 [0,0,0,0,1,0|3,0,0]=4 708 B13R1.351 C[C@@H](NCc1ccccc1)C(=O)N 270004a_100000119354_100015611070 [0,0,0,0,1,0|3,0,0]=4 709 B13R1.351 C[C@@H](NCc1ccccc1)C(=O)N 34a_100000119354_100015291786 [0,0,0,0,1,0|3,0,0]=4 710 B13R1.351 C[C@@H](OCc1ccccc1)C(=O)N 34a_100000731257_100015291786 [0,0,0,0,1,0|2,1,0]=4 711 B13R1.351 C[C@@H](OCc1ccccc1)C(=O)N 7a_100000731257_100000211182 [0,0,0,0,1,0|2,1,0]=4 712 B13R1.351 C[C@H](NCc1ccccc1)C(=O)O 269956a_100000743915_100015291786 [0,0,0,0,1,0|2,0,0]=3 713 B13R1.351 C[C@H](NCc1ccccn1)C(=O)O 269956a_100000743915_100000721315 [0,0,0,0,1,0|3,0,0]=4 714 B13R1.351 C[C@H](NCc1cccnc1)C(=O)O 269956a_100000743915_100000733263 [0,0,0,0,1,0|3,0,0]=4 715 B13R1.351 C[C@H](NCc1ccncc1)C(=O)O 269956a_100000743915_100015193705 [0,0,0,0,1,0|3,0,0]=4 716 B13R1.351 C[C@H](OCc1ccccc1)C(=O)[13CH3] 1458a_100000703211_200025704644 [0,0,0,0,1,0|2,1,0]=4 717 B13R1.351 C[C@H](OCc1ccccc1)C(=O)[O-] 7a_217856618621_100000211182 [0,0,0,0,1,0|1,1,1]=4 718 B13R1.351 NC(=O)C(F)NCc1ccccc1 2230a_100015324214_100009813875 [0,0,0,0,1,0|3,0,0]=4 719 B13R1.351 NC(=O)C(F)NCc1ccccc1 34a_100015324214_100009813875 [0,0,0,0,1,0|3,0,0]=4 720 B13R1.351 NC(=O)C(F)OCc1ccccc1 34a_100000210790_100009813875 [0,0,0,0,1,0|2,1,0]=4 721 B13R1.351 NC(=O)C(F)OCc1ccccc1 7a_100000210790_100009813875 [0,0,0,0,1,0|2,1,0]=4 722 B13R1.351 NC(=O)C(F)SCc1ccccc1 62a_100000211182_100009813875 [0,0,0,0,1,0|2,0,0]=3 723 B13R1.351 NC(=O)C(F)SCc1ccccc1 62a_100009813875_100015291786 [0,0,0,0,1,0|2,0,0]=3 724 B13R1.351 NC(=O)C(F)SCc1ccccn1 62a_100000721315_100009813875 [0,0,0,0,1,0|3,0,0]=4 725 B13R1.351 NC(=O)C(F)SCc1ccccn1 62a_100009813875_100000721315 [0,0,0,0,1,0|3,0,0]=4 726 B13R1.351 NC(=O)C(F)SCc1cccnc1 62a_100000741622_100009813875 [0,0,0,0,1,0|3,0,0]=4 727 B13R1.351 NC(=O)C(F)SCc1cccnc1 62a_100009813875_100000741622 [0,0,0,0,1,0|3,0,0]=4 728 B13R1.351 NC(=O)C(F)SCc1ccncc1 62a_100009813875_100015193705 [0,0,0,0,1,0|3,0,0]=4 729 B13R1.351 NC(=O)C(F)SCc1ccncc1 62a_100015193705_100009813875 [0,0,0,0,1,0|3,0,0]=4 730 B13R1.351 O=C([O-])C(F)NCc1ccccc1 34a_100015324214_100020610796 [0,0,0,0,1,0|2,0,1]=4 731 B13R1.351 O=C([O-])C(F)OCc1ccccc1 34a_100000210790_100020610796 [0,0,0,0,1,0|1,1,1]=4 732 B13R1.351 O=C([O-])C(F)SCc1ccccc1 62a_100000211182_100020610796 [0,0,0,0,1,0|1,0,1]=3 733 B13R1.351 O=C([O-])C(F)SCc1ccccc1 62a_100020610796_100015291786 [0,0,0,0,1,0|1,0,1]=3 734 B13R1.351 O=C([O-])C(F)SCc1ccccn1 62a_100000721315_100020610796 [0,0,0,0,1,0|2,0,1]=4 735 B13R1.351 O=C([O-])C(F)SCc1ccccn1 62a_100020610796_100000721315 [0,0,0,0,1,0|2,0,1]=4 736 B13R1.351 O=C([O-])C(F)SCc1cccnc1 62a_100000741622_100020610796 [0,0,0,0,1,0|2,0,1]=4 737 B13R1.351 O=C([O-])C(F)SCc1cccnc1 62a_100020610796_100000741622 [0,0,0,0,1,0|2,0,1]=4 738 B13R1.351 O=C([O-])C(F)SCc1ccncc1 62a_100015193705_100020610796 [0,0,0,0,1,0|2,0,1]=4 739 B13R1.351 O=C([O-])C(F)SCc1ccncc1 62a_100020610796_100015193705 [0,0,0,0,1,0|2,0,1]=4 740 B13R1.351 [13CH3]C(=O)C(O)CCc1ccccc1 1458a_100000242596_200025704644 [0,0,0,0,1,0|2,0,0]=3 741 B13R1.1110 CC(CNCc1ccsc1)C(=O)O 269956a_100000749485_100011261437 [0,0,0,0,1,0|3,0,0]=4 742 B13R1.1110 NC(=O)[C@@H](N)COCc1ccsc1 34a_100000729942_100011261437 [0,0,0,0,1,0|2,1,0]=4 743 B13R1.1110 O=C(O)C(F)CNCc1ccsc1 269956a_100000084737_100011261437 [0,0,0,0,1,0|3,0,0]=4 744 B15R1.3664 CC(=O)C(=O)CSCCc1ccccc1 62a_100000765856_100011261029 [0,0,0,0,0,1|2,0,1]=4 745 B15R1.3664 CC(=O)C(=O)CSCCc1ccccc1 62a_100011261029_100011218657 [0,0,0,0,0,1|2,0,1]=4 746 B15R1.3664 CC(=O)C(=O)CSCSc1ccccc1 62a_100011218342_100011261029 [0,0,0,0,0,1|2,0,1]=4 747 B15R1.3664 CC(=O)C(=O)CSCSc1ccccc1 62a_100011261029_100011218342 [0,0,0,0,0,1|2,0,1]=4 748 B15R1.3664 CC(=O)C(C)COCCc1ccccc1 34a_100000032740_100000765856 [0,0,0,0,0,1|2,1,0]=4 749 B15R1.3664 CC(=O)C(C)COCCc1ccccc1 7a_100000032740_100000765856 [0,0,0,0,0,1|2,1,0]=4 750 B15R1.3664 CC(=O)C(C)NCCCc1ccccc1 2230a_100000211184_100009814033 [0,0,0,0,0,1|3,0,0]=4 751 B15R1.3664 CC(=O)C(C)OCCCc1ccccc1 34a_100000212229_100000211621 [0,0,0,0,0,1|3,0,0]=4 752 B15R1.3664 CC(=O)C(C)OCCCc1ccccc1 7a_100000210828_100000179758 [0,0,0,0,0,1|3,0,0]=4 753 B15R1.3664 CC(=O)C(C)OCOCc1ccccc1 34a_100000212229_100000763385 [0,0,0,0,0,1|2,1,0]=4 754 B15R1.3664 CC(=O)C(C)OCSCc1ccccc1 34a_100000212229_200011217039 [0,0,0,0,0,1|2,0,0]=3 755 B15R1.3664 CC(=O)C(C)SCCCc1ccccc1 62a_100000211621_100009814033 [0,0,0,0,0,1|3,0,0]=4 756 B15R1.3664 CC(=O)C(C)SCCCc1ccccc1 62a_100009814033_100000211621 [0,0,0,0,0,1|3,0,0]=4 757 B15R1.3664 CC(=O)C(C)SCOCc1ccccc1 62a_100000763385_100009814033 [0,0,0,0,0,1|2,1,0]=4 758 B15R1.3664 CC(=O)C(C)SCOCc1ccccc1 62a_100009814033_100000763385 [0,0,0,0,0,1|2,1,0]=4 759 B15R1.3664 CC(=O)C(C)SCSCc1ccccc1 62a_100009814033_200011217039 [0,0,0,0,0,1|2,0,0]=3 760 B15R1.3664 CC(=O)C(C)SCSCc1ccccc1 62a_200011217039_100009814033 [0,0,0,0,0,1|2,0,0]=3 761 B15R1.3664 CC(CNCCc1ccccc1)C(=O)O 269956a_100000749485_100000765856 [0,0,0,0,0,1|2,0,0]=3 762 B15R1.3664 CC(CNCCc1ccccn1)C(=O)O 269956a_100000749485_100015183660 [0,0,0,0,0,1|3,0,0]=4 763 B15R1.3664 CC(CNCCc1cccnc1)C(=O)O 269956a_100000749485_200011713674 [0,0,0,0,0,1|3,0,0]=4 764 B15R1.3664 CC(CNCCc1ccncc1)C(=O)O 269956a_100000749485_100000723409 [0,0,0,0,0,1|3,0,0]=4 765 B15R1.3664 CC(CNCSc1ccccc1)C(=O)O 269956a_100000749485_100011218342 [0,0,0,0,0,1|2,0,0]=3 766 B15R1.3664 CC(NCCCc1ccccc1)C(=O)N 2230a_100000211184_100000702099 [0,0,0,0,0,1|3,0,0]=4 767 B15R1.3664 CC(NCCCc1ccccc1)C(=O)N 34a_100000211184_100000702099 [0,0,0,0,0,1|3,0,0]=4 768 B15R1.3664 CC(OCCCc1ccccc1)C(=O)N 34a_100000210828_100000702099 [0,0,0,0,0,1|3,0,0]=4 769 B15R1.3664 CC(OCCCc1ccccc1)C(=O)N 7a_100000210828_100000702099 [0,0,0,0,0,1|3,0,0]=4 770 B15R1.3664 CC(SCCCc1ccccc1)C(=O)N 62a_100000211621_100000702099 [0,0,0,0,0,1|3,0,0]=4 771 B15R1.3664 CC(SCCCc1ccccc1)C(=O)N 62a_100000702099_100000211621 [0,0,0,0,0,1|3,0,0]=4 772 B15R1.3664 CC(SCOCc1ccccc1)C(=O)N 62a_100000702099_100000763385 [0,0,0,0,0,1|2,1,0]=4 773 B15R1.3664 CC(SCOCc1ccccc1)C(=O)N 62a_100000763385_100000702099 [0,0,0,0,0,1|2,1,0]=4 774 B15R1.3664 CC(SCSCc1ccccc1)C(=O)N 62a_100000702099_200011217039 [0,0,0,0,0,1|2,0,0]=3 775 B15R1.3664 CC(SCSCc1ccccc1)C(=O)N 62a_200011217039_100000702099 [0,0,0,0,0,1|2,0,0]=3 776 B15R1.3664 C[C@@H](NCCCc1ccccc1)C(=O)N 2230a_100000119354_100000211621 [0,0,0,0,0,1|3,0,0]=4 777 B15R1.3664 C[C@@H](NCCCc1ccccc1)C(=O)N 34a_100000119354_100000211621 [0,0,0,0,0,1|3,0,0]=4 778 B15R1.3664 C[C@@H](NCOCc1ccccc1)C(=O)N 2230a_100000119354_100000763385 [0,0,0,0,0,1|2,1,0]=4 779 B15R1.3664 C[C@@H](NCOCc1ccccc1)C(=O)N 34a_100000119354_100000763385 [0,0,0,0,0,1|2,1,0]=4 780 B15R1.3664 C[C@@H](NCSCc1ccccc1)C(=O)N 2230a_100000119354_200011217039 [0,0,0,0,0,1|2,0,0]=3 781 B15R1.3664 C[C@@H](NCSCc1ccccc1)C(=O)N 34a_100000119354_200011217039 [0,0,0,0,0,1|2,0,0]=3 782 B15R1.3664 C[C@@H](OCCCc1ccccc1)C(=O)N 34a_100000731257_100000211621 [0,0,0,0,0,1|3,0,0]=4 783 B15R1.3664 C[C@@H](OCCCc1ccccc1)C(=O)N 7a_100000731257_100000211621 [0,0,0,0,0,1|3,0,0]=4 784 B15R1.3664 C[C@@H](OCOCc1ccccc1)C(=O)N 34a_100000731257_100000763385 [0,0,0,0,0,1|2,1,0]=4 785 B15R1.3664 C[C@@H](OCSCc1ccccc1)C(=O)N 34a_100000731257_200011217039 [0,0,0,0,0,1|2,0,0]=3 786 B15R1.3664 C[C@H](NC/C=C/c1ccccc1)C(=O)O 269956a_100000743915_100016265936 [0,0,0,0,0,1|2,0,1]=4 787 B15R1.3664 C[C@H](NCC#Cc1ccccc1)C(=O)O 269956a_100000743915_100011352542 [0,0,0,0,0,1|2,0,1]=4 788 B15R1.3664 C[C@H](NCCCc1ccccc1)C(=O)O 269956a_100000743915_100000211621 [0,0,0,0,0,1|2,0,0]=3 789 B15R1.3664 C[C@H](NCCOc1ccccc1)C(=O)O 269956a_100000743915_100000184471 [0,0,0,0,0,1|3,0,0]=4 790 B15R1.3664 C[C@H](NCCSc1ccccc1)C(=O)O 269956a_100000743915_100000246102 [0,0,0,0,0,1|3,0,0]=4 791 B15R1.3664 C[C@H](NCOCc1ccccc1)C(=O)O 269956a_100000743915_100000763385 [0,0,0,0,0,1|1,1,0]=3 792 B15R1.3664 C[C@H](NCSCc1ccccc1)C(=O)O 269956a_100000743915_200011217039 [0,0,0,0,0,1|1,0,0]=2 793 B15R1.3664 C[C@H](OCCCc1ccccc1)C(=O)[O-] 7a_217856618621_100000211621 [0,0,0,0,0,1|2,0,1]=4 794 B15R1.3664 NC(=O)C(F)NCCCc1ccccc1 2230a_100000211184_100009813875 [0,0,0,0,0,1|3,0,0]=4 795 B15R1.3664 NC(=O)C(F)NCCCc1ccccc1 34a_100000211184_100009813875 [0,0,0,0,0,1|3,0,0]=4 796 B15R1.3664 NC(=O)C(F)OCCCc1ccccc1 34a_100000210828_100009813875 [0,0,0,0,0,1|3,0,0]=4 797 B15R1.3664 NC(=O)C(F)OCCCc1ccccc1 7a_100000210828_100009813875 [0,0,0,0,0,1|3,0,0]=4 798 B15R1.3664 NC(=O)C(F)SCCCc1ccccc1 62a_100000211621_100009813875 [0,0,0,0,0,1|3,0,0]=4 799 B15R1.3664 NC(=O)C(F)SCCCc1ccccc1 62a_100009813875_100000211621 [0,0,0,0,0,1|3,0,0]=4 800 B15R1.3664 NC(=O)C(F)SCOCc1ccccc1 62a_100000763385_100009813875 [0,0,0,0,0,1|2,1,0]=4 801 B15R1.3664 NC(=O)C(F)SCOCc1ccccc1 62a_100009813875_100000763385 [0,0,0,0,0,1|2,1,0]=4 802 B15R1.3664 NC(=O)C(F)SCSCc1ccccc1 62a_100009813875_200011217039 [0,0,0,0,0,1|2,0,0]=3 803 B15R1.3664 NC(=O)C(F)SCSCc1ccccc1 62a_200011217039_100009813875 [0,0,0,0,0,1|2,0,0]=3 804 B15R1.3664 NC(=O)[C@@H](N)COCCc1ccccc1 34a_100000729942_100000765856 [0,0,0,0,0,1|1,1,0]=3 805 B15R1.3664 O=C(O)C(F)CNCCc1ccccc1 269956a_100000084737_100000765856 [0,0,0,0,0,1|2,0,0]=3 806 B15R1.3664 O=C(O)C(F)CNCCc1ccccn1 269956a_100000084737_100015183660 [0,0,0,0,0,1|3,0,0]=4 807 B15R1.3664 O=C(O)C(F)CNCCc1cccnc1 269956a_100000084737_200011713674 [0,0,0,0,0,1|3,0,0]=4 808 B15R1.3664 O=C(O)C(F)CNCCc1ccncc1 269956a_100000084737_100000723409 [0,0,0,0,0,1|3,0,0]=4 809 B15R1.3664 O=C(O)C(F)CNCSc1ccccc1 269956a_100000084737_100011218342 [0,0,0,0,0,1|2,0,0]=3 810 B15R1.3664 O=C([O-])C(F)NCCCc1ccccc1 34a_100000211184_100020610796 [0,0,0,0,0,1|2,0,1]=4 811 B15R1.3664 O=C([O-])C(F)OCCCc1ccccc1 34a_100000210828_100020610796 [0,0,0,0,0,1|2,0,1]=4 812 B15R1.3664 O=C([O-])C(F)SCCCc1ccccc1 62a_100000211621_100020610796 [0,0,0,0,0,1|2,0,1]=4 813 B15R1.3664 O=C([O-])C(F)SCCCc1ccccc1 62a_100020610796_100000211621 [0,0,0,0,0,1|2,0,1]=4 814 B15R1.3664 O=C([O-])C(F)SCOCc1ccccc1 62a_100000763385_100020610796 [0,0,0,0,0,1|1,1,1]=4 815 B15R1.3664 O=C([O-])C(F)SCOCc1ccccc1 62a_100020610796_100000763385 [0,0,0,0,0,1|1,1,1]=4 816 B15R1.3664 O=C([O-])C(F)SCSCc1ccccc1 62a_100020610796_200011217039 [0,0,0,0,0,1|1,0,1]=3 817 B15R1.3664 O=C([O-])C(F)SCSCc1ccccc1 62a_200011217039_100020610796 [0,0,0,0,0,1|1,0,1]=3 818 B15R1.9084 CC(=O)CC(C)COCc1ccccc1 1458a_100000070787_100011216253 [0,0,0,0,0,1|2,1,0]=4 819 B15R1.9084 CC(=O)NC(=O)CSCc1ccccc1 62a_100000211182_100000183797 [0,0,0,0,0,1|2,0,1]=4 820 B15R1.9084 CN(CCCc1ccccc1)CC(=O)O 269956a_100000746989_100000211621 [0,0,0,0,0,1|3,0,0]=4 821 B15R1.9084 CN(COCc1ccccc1)CC(=O)O 269956a_100000746989_100000763385 [0,0,0,0,0,1|2,1,0]=4 822 B15R1.9084 CN(CSCc1ccccc1)CC(=O)N 2230a_100000739694_200011217039 [0,0,0,0,0,1|3,0,0]=4 823 B15R1.9084 CN(CSCc1ccccc1)CC(=O)O 269956a_100000746989_200011217039 [0,0,0,0,0,1|2,0,0]=3 824 B15R1.9084 NC(=O)CC(=O)CSCc1ccccc1 1458a_100000150264_100000187820 [0,0,0,0,0,1|2,0,1]=4 825 B15R1.9084 NC(=O)CC(=O)CSCc1ccccc1 1458a_100134613110_200011217039 [0,0,0,0,0,1|2,0,1]=4 826 B15R1.9084 NC(=O)NC(=O)CSCc1ccccc1 62a_100000211182_100000182717 [0,0,0,0,0,1|2,0,1]=4 827 B15R1.9084 O=C(O)CC(O)CNCc1ccccc1 269956a_100011218706_100015291786 [0,0,0,0,0,1|2,0,0]=3 828 B15R1.9084 O=C(O)CC(O)CNCc1ccccn1 269956a_100011218706_100000721315 [0,0,0,0,0,1|3,0,0]=4 829 B15R1.9084 O=C(O)CC(O)CNCc1cccnc1 269956a_100011218706_100000733263 [0,0,0,0,0,1|3,0,0]=4 830 B15R1.9084 O=C(O)CC(O)CNCc1ccncc1 269956a_100011218706_100015193705 [0,0,0,0,0,1|3,0,0]=4 831 B15R1.9084 O=C([O-])CC(=O)CSCc1ccccc1 1458a_100000150264_100020667443 [0,0,0,0,0,1|1,0,2]=4 832 B12R1.8 C#CCCSCc1ccccc1 62a_100000211182_100000688953 [2,0,0,0,0,0|1,0,1]=4 833 B12R1.8 C#CCCSCc1ccccc1 62a_100000688953_100015291786 [2,0,0,0,0,0|1,0,1]=4 834 B12R1.8 C/C=C/CSCc1ccccc1 62a_100000211182_100102629194 [2,0,0,0,0,0|1,0,1]=4 835 B12R1.8 C/C=C/CSCc1ccccc1 62a_100102629194_100015291786 [2,0,0,0,0,0|1,0,1]=4 836 B12R1.8 C=CCCNCc1ccccc1 207a_100015191253_100015611070 [2,0,0,0,0,0|2,0,0]=4 837 B12R1.8 C=CCCNCc1ccccc1 2230a_100015191253_100015291786 [2,0,0,0,0,0|2,0,0]=4 838 B12R1.8 C=CCCNCc1ccccc1 2230a_100015324214_100000754431 [2,0,0,0,0,0|2,0,0]=4 839 B12R1.8 C=CCCNCc1ccccc1 270004a_100015191253_100015611070 [2,0,0,0,0,0|2,0,0]=4 840 B12R1.8 C=CCCNCc1ccccc1 34a_100015324214_100000754431 [2,0,0,0,0,0|2,0,0]=4 841 B12R1.8 C=CCCOCc1ccccc1 34a_100000210790_100000754431 [2,0,0,0,0,0|1,1,0]=4 842 B12R1.8 C=CCCOCc1ccccc1 34a_100011205117_100015291786 [2,0,0,0,0,0|1,1,0]=4 843 B12R1.8 C=CCCOCc1ccccc1 7a_100000210790_100000754431 [2,0,0,0,0,0|1,1,0]=4 844 B12R1.8 C=CCCSCc1ccccc1 62a_100000211182_100000754431 [2,0,0,0,0,0|1,0,0]=3 845 B12R1.8 C=CCCSCc1ccccc1 62a_100000754431_100015291786 [2,0,0,0,0,0|1,0,0]=3 846 B12R1.8 C=CCCSCc1ccccn1 62a_100000721315_100000754431 [2,0,0,0,0,0|2,0,0]=4 847 B12R1.8 C=CCCSCc1ccccn1 62a_100000754431_100000721315 [2,0,0,0,0,0|2,0,0]=4 848 B12R1.8 C=CCCSCc1cccnc1 62a_100000741622_100000754431 [2,0,0,0,0,0|2,0,0]=4 849 B12R1.8 C=CCCSCc1cccnc1 62a_100000754431_100000741622 [2,0,0,0,0,0|2,0,0]=4 850 B12R1.8 C=CCCSCc1ccncc1 62a_100000754431_100015193705 [2,0,0,0,0,0|2,0,0]=4 851 B12R1.8 C=CCCSCc1ccncc1 62a_100015193705_100000754431 [2,0,0,0,0,0|2,0,0]=4 852 B12R1.8 CC=CCSCc1ccccc1 62a_100000070051_100015291786 [2,0,0,0,0,0|1,0,1]=4 853 B12R1.8 CC=CCSCc1ccccc1 62a_100000211182_100000070051 [2,0,0,0,0,0|1,0,1]=4 854 B12R1.8 CCCCSCc1ccccc1 62a_100000210211_100015291786 [2,0,0,0,0,0|1,0,1]=4 855 B12R1.8 CCCCSCc1ccccc1 62a_100000211182_100000210210 [2,0,0,0,0,0|1,0,1]=4 856 B12R1.8 CNCCSCc1ccccc1 2230a_100000189534_200000210301 [2,0,0,0,0,0|2,0,0]=4 857 B12R1.8 CNCCSCc1ccccc1 2230a_106832991635_200011297719 [2,0,0,0,0,0|2,0,0]=4 858 B12R1.8 CNCCSCc1ccccc1 34a_100000189534_200000210301 [2,0,0,0,0,0|2,0,0]=4 859 B12R1.8 CNCCSCc1ccccc1 34a_100102657272_200011297719 [2,0,0,0,0,0|2,0,0]=4 860 B12R1.8 CNCCSCc1ccccc1 7a_100000189534_200000210301 [2,0,0,0,0,0|2,0,0]=4 861 B12R1.8 COCCSCc1ccccc1 34a_100011205989_200000210301 [2,0,0,0,0,0|2,0,0]=4 862 B12R1.8 COCCSCc1ccccc1 34a_100138415774_200011297719 [2,0,0,0,0,0|2,0,0]=4 863 B12R1.8 COCCSCc1ccccc1 62a_100000211182_100000233755 [2,0,0,0,0,0|2,0,0]=4 864 B12R1.8 COCCSCc1ccccc1 62a_100000233755_100015291786 [2,0,0,0,0,0|2,0,0]=4 865 B12R1.8 COCCSCc1ccccc1 7a_100011205989_200000210301 [2,0,0,0,0,0|2,0,0]=4 866 B12R1.8 CSCCSCc1ccccc1 62a_100000211182_100000751147 [2,0,0,0,0,0|2,0,0]=4 867 B12R1.8 CSCCSCc1ccccc1 62a_100000212216_100015291786 [2,0,0,0,0,0|2,0,0]=4 868 B12R1.8 CSCCSCc1ccccc1 62a_200000210301_200011297719 [2,0,0,0,0,0|2,0,0]=4 869 B12R1.8 CSCCSCc1ccccc1 62a_200011297719_200000210301 [2,0,0,0,0,0|2,0,0]=4 870 B12R1.8 FCCCSCc1ccccc1 62a_100000211182_100011934791 [2,0,0,0,0,0|1,0,1]=4 871 B12R1.8 FCCCSCc1ccccc1 62a_100011934791_100015291786 [2,0,0,0,0,0|1,0,1]=4 872 B12R1.8 N#CCCSCc1ccccc1 62a_100000211182_100011215226 [2,0,0,0,0,0|1,0,1]=4 873 B12R1.8 N#CCCSCc1ccccc1 62a_100011215226_100015291786 [2,0,0,0,0,0|1,0,1]=4 874 B12R1.8 O=CCCCOc1ccccc1 7a_100000210340_200011292268 [2,0,0,0,0,0|2,0,0]=4 875 B12R1.8 O=CCCCSc1ccccc1 62a_100000719477_200011292268 [2,0,0,0,0,0|2,0,0]=4 876 B12R1.8 O=CCCCSc1ccccc1 62a_200011292268_100000041952 [2,0,0,0,0,0|2,0,0]=4 877 B12R1.8 O=CCNCCc1ccccc1 2230a_100000106460_200015260668 [2,0,0,0,0,0|2,0,0]=4 878 B12R1.8 O=CCNCCc1ccccc1 34a_100000106460_200009817547 [2,0,0,0,0,0|2,0,0]=4 879 B12R1.8 O=CCOCCc1ccccc1 34a_100000210268_200009817547 [2,0,0,0,0,0|2,0,0]=4 880 B12R1.8 O=CCOCCc1ccccc1 7a_100000210268_200015260668 [2,0,0,0,0,0|2,0,0]=4 881 B12R1.8 O=CCSCCc1ccccc1 62a_100000765856_200015260668 [2,0,0,0,0,0|2,0,0]=4 882 B12R1.8 O=CCSCCc1ccccc1 62a_200015260668_100011218657 [2,0,0,0,0,0|2,0,0]=4 883 B12R1.8 OCCCNCc1ccccc1 207a_100000182051_100015611070 [2,0,0,0,0,0|1,0,1]=4 884 B12R1.8 OCCCNCc1ccccc1 2230a_100015324214_100000230001 [2,0,0,0,0,0|1,0,1]=4 885 B12R1.8 OCCCNCc1ccccc1 270004a_100000182051_100015611070 [2,0,0,0,0,0|1,0,1]=4 886 B12R1.8 OCCCNCc1ccccc1 34a_100015324214_100000230001 [2,0,0,0,0,0|1,0,1]=4 887 B12R1.8 OCCCOCc1ccccc1 34a_100000210790_100000230001 [2,0,0,0,0,0|0,1,1]=4 888 B12R1.8 OCCCOCc1ccccc1 7a_100000210790_100011215043 [2,0,0,0,0,0|0,1,1]=4 889 B12R1.8 OCCCSCc1ccccc1 62a_100000211182_100011215043 [2,0,0,0,0,0|0,0,1]=3 890 B12R1.8 OCCCSCc1ccccc1 62a_100011215043_100015291786 [2,0,0,0,0,0|0,0,1]=3 891 B12R1.8 OCCCSCc1ccccn1 62a_100000721315_100011215043 [2,0,0,0,0,0|1,0,1]=4 892 B12R1.8 OCCCSCc1ccccn1 62a_100011215043_100000721315 [2,0,0,0,0,0|1,0,1]=4 893 B12R1.8 OCCCSCc1cccnc1 62a_100000741622_100011215043 [2,0,0,0,0,0|1,0,1]=4 894 B12R1.8 OCCCSCc1cccnc1 62a_100011215043_100000741622 [2,0,0,0,0,0|1,0,1]=4 895 B12R1.8 OCCCSCc1ccncc1 62a_100011215043_100015193705 [2,0,0,0,0,0|1,0,1]=4 896 B12R1.8 OCCCSCc1ccncc1 62a_100015193705_100011215043 [2,0,0,0,0,0|1,0,1]=4 897 B12R1.8 [13CH3]NCCSCc1ccccc1 2230a_100000189534_200025704644 [2,0,0,0,0,0|2,0,0]=4 898 B12R1.8 [13CH3]NCCSCc1ccccc1 34a_100000189534_200025704644 [2,0,0,0,0,0|2,0,0]=4 899 B12R1.8 [13CH3]NCCSCc1ccccc1 7a_100000189534_200025704644 [2,0,0,0,0,0|2,0,0]=4 900 B12R1.8 [13CH3]OCCSCc1ccccc1 34a_100011205989_200025704644 [2,0,0,0,0,0|2,0,0]=4 901 B12R1.8 [13CH3]OCCSCc1ccccc1 7a_100011205989_200025704644 [2,0,0,0,0,0|2,0,0]=4 902 B12R1.8 [13CH3]SCCSCc1ccccc1 62a_200011297719_200025704644 [2,0,0,0,0,0|2,0,0]=4 903 B12R1.8 [13CH3]SCCSCc1ccccc1 62a_200025704644_200011297719 [2,0,0,0,0,0|2,0,0]=4 904 B12R1.252 C=C(C)CSCc1ccccc1 62a_100000211182_100000211660 [2,0,0,0,0,0|1,0,1]=4 905 B12R1.252 C=C(C)CSCc1ccccc1 62a_100000748629_100015291786 [2,0,0,0,0,0|1,0,1]=4 906 B12R1.252 C=C(F)CSCc1ccccc1 62a_100000042424_100015291786 [2,0,0,0,0,0|1,0,1]=4 907 B12R1.252 C=C(F)CSCc1ccccc1 62a_100000211182_100000042424 [2,0,0,0,0,0|1,0,1]=4 908 B12R1.252 CC(=O)CSCc1ccccc1 1458a_100000070787_200011217039 [2,0,0,0,0,0|1,0,1]=4 909 B12R1.252 CC(=O)CSCc1ccccc1 1458a_100000150264_200000210301 [2,0,0,0,0,0|1,0,1]=4 910 B12R1.252 CC(C)CSCc1ccccc1 62a_100000210624_100015291786 [2,0,0,0,0,0|1,0,1]=4 911 B12R1.252 CC(C)CSCc1ccccc1 62a_100000211182_100000210760 [2,0,0,0,0,0|1,0,1]=4 912 B12R1.252 CC(O)CNCc1ccccc1 207a_100000210904_100015611070 [2,0,0,0,0,0|2,0,0]=4 913 B12R1.252 CC(O)CNCc1ccccc1 2230a_100000210904_100015291786 [2,0,0,0,0,0|2,0,0]=4 914 B12R1.252 CC(O)CNCc1ccccc1 2230a_100015324214_100011218427 [2,0,0,0,0,0|2,0,0]=4 915 B12R1.252 CC(O)CNCc1ccccc1 270004a_100000210904_100015611070 [2,0,0,0,0,0|2,0,0]=4 916 B12R1.252 CC(O)CNCc1ccccc1 34a_100000210904_100015291786 [2,0,0,0,0,0|2,0,0]=4 917 B12R1.252 CC(O)CNCc1ccccc1 34a_100015324214_100011218427 [2,0,0,0,0,0|2,0,0]=4 918 B12R1.252 CC(O)COCc1ccccc1 34a_100000210790_100011218427 [2,0,0,0,0,0|1,1,0]=4 919 B12R1.252 CC(O)COCc1ccccc1 7a_100000210790_100011218427 [2,0,0,0,0,0|1,1,0]=4 920 B12R1.252 CC(O)CSCc1ccccc1 62a_100000211182_100011218427 [2,0,0,0,0,0|1,0,0]=3 921 B12R1.252 CC(O)CSCc1ccccc1 62a_100011218427_100015291786 [2,0,0,0,0,0|1,0,0]=3 922 B12R1.252 CC(O)CSCc1ccccn1 62a_100000721315_100011218427 [2,0,0,0,0,0|2,0,0]=4 923 B12R1.252 CC(O)CSCc1ccccn1 62a_100011218427_100000721315 [2,0,0,0,0,0|2,0,0]=4 924 B12R1.252 CC(O)CSCc1cccnc1 62a_100000741622_100011218427 [2,0,0,0,0,0|2,0,0]=4 925 B12R1.252 CC(O)CSCc1cccnc1 62a_100011218427_100000741622 [2,0,0,0,0,0|2,0,0]=4 926 B12R1.252 CC(O)CSCc1ccncc1 62a_100011218427_100015193705 [2,0,0,0,0,0|2,0,0]=4 927 B12R1.252 CC(O)CSCc1ccncc1 62a_100015193705_100011218427 [2,0,0,0,0,0|2,0,0]=4 928 B12R1.252 C[C@@H](N)COCc1ccccc1 34a_100000737577_100015291786 [2,0,0,0,0,0|0,1,1]=4 929 B12R1.252 C[C@@H](O)CNCc1ccccc1 2230a_100015324214_100009817552 [2,0,0,0,0,0|2,0,0]=4 930 B12R1.252 C[C@@H](O)CNCc1ccccc1 34a_100015324214_100009817552 [2,0,0,0,0,0|2,0,0]=4 931 B12R1.252 C[C@@H](O)COCc1ccccc1 34a_100000210790_100009817552 [2,0,0,0,0,0|1,1,0]=4 932 B12R1.252 C[C@@H](O)COCc1ccccc1 7a_100000210790_100009817552 [2,0,0,0,0,0|1,1,0]=4 933 B12R1.252 C[C@@H](O)CSCc1ccccc1 62a_100000211182_100009817552 [2,0,0,0,0,0|1,0,0]=3 934 B12R1.252 C[C@@H](O)CSCc1ccccc1 62a_100009817552_100015291786 [2,0,0,0,0,0|1,0,0]=3 935 B12R1.252 C[C@@H](O)CSCc1ccccn1 62a_100000721315_100009817552 [2,0,0,0,0,0|2,0,0]=4 936 B12R1.252 C[C@@H](O)CSCc1ccccn1 62a_100009817552_100000721315 [2,0,0,0,0,0|2,0,0]=4 937 B12R1.252 C[C@@H](O)CSCc1cccnc1 62a_100000741622_100009817552 [2,0,0,0,0,0|2,0,0]=4 938 B12R1.252 C[C@@H](O)CSCc1cccnc1 62a_100009817552_100000741622 [2,0,0,0,0,0|2,0,0]=4 939 B12R1.252 C[C@@H](O)CSCc1ccncc1 62a_100009817552_100015193705 [2,0,0,0,0,0|2,0,0]=4 940 B12R1.252 C[C@@H](O)CSCc1ccncc1 62a_100015193705_100009817552 [2,0,0,0,0,0|2,0,0]=4 941 B12R1.252 FC(F)CSCc1ccccc1 62a_100000211182_100011934356 [2,0,0,0,0,0|2,0,0]=4 942 B12R1.252 FC(F)CSCc1ccccc1 62a_100011934356_100015291786 [2,0,0,0,0,0|2,0,0]=4 943 B12R1.252 NC(=O)CNCc1ccccc1 2230a_100000711301_100015291786 [2,0,0,0,0,0|1,0,1]=4 944 B12R1.252 NC(=O)CNCc1ccccc1 2230a_100015324214_100000747473 [2,0,0,0,0,0|1,0,1]=4 945 B12R1.252 NC(=O)CNCc1ccccc1 34a_100015324214_100000187820 [2,0,0,0,0,0|1,0,1]=4 946 B12R1.252 NC(=O)COCc1ccccc1 34a_100000210790_100000187820 [2,0,0,0,0,0|0,1,1]=4 947 B12R1.252 NC(=O)COCc1ccccc1 7a_100000210790_100000187820 [2,0,0,0,0,0|0,1,1]=4 948 B12R1.252 NC(=O)CSCc1ccccc1 62a_100000211182_100000747473 [2,0,0,0,0,0|0,0,1]=3 949 B12R1.252 NC(=O)CSCc1ccccc1 62a_100000747473_100015291786 [2,0,0,0,0,0|0,0,1]=3 950 B12R1.252 NC(=O)CSCc1ccccn1 62a_100000721315_100000747473 [2,0,0,0,0,0|1,0,1]=4 951 B12R1.252 NC(=O)CSCc1ccccn1 62a_100000747473_100000721315 [2,0,0,0,0,0|1,0,1]=4 952 B12R1.252 NC(=O)CSCc1cccnc1 62a_100000741622_100000747473 [2,0,0,0,0,0|1,0,1]=4 953 B12R1.252 NC(=O)CSCc1cccnc1 62a_100000747473_100000741622 [2,0,0,0,0,0|1,0,1]=4 954 B12R1.252 NC(=O)CSCc1ccncc1 62a_100000747473_100015193705 [2,0,0,0,0,0|1,0,1]=4 955 B12R1.252 NC(=O)CSCc1ccncc1 62a_100015193705_100000747473 [2,0,0,0,0,0|1,0,1]=4 956 B12R1.252 O=C([O-])CSCc1ccccc1 62a_100000211182_100020667443 [2,0,0,0,0,0|1,0,1]=4 957 B12R1.252 O=C([O-])CSCc1ccccc1 62a_100020667443_100015291786 [2,0,0,0,0,0|1,0,1]=4 958 B12R1.252 O=[N+]([O-])CSCc1ccccc1 62a_100000211182_100000761209 [2,0,0,0,0,0|2,0,0]=4 959 B12R1.252 [13CH3]C(=O)CSCc1ccccc1 1458a_100000150264_200025704644 [2,0,0,0,0,0|1,0,1]=4 960 B14R1.148 C=C(C)CCSCc1cccc(c1)Br 62a_100000211773_100000730704 [1,1,0,0,0,0|2,0,0]=4 961 B14R1.148 C=C(C)CCSCc1cccc(c1)Br 62a_100000730704_100000211773 [1,1,0,0,0,0|2,0,0]=4 962 B14R1.148 C=C(C)CCSCc1cccc(c1)C 62a_100000211840_100000730704 [1,1,0,0,0,0|2,0,0]=4 963 B14R1.148 C=C(C)CCSCc1cccc(c1)C 62a_100000730704_100000211840 [1,1,0,0,0,0|2,0,0]=4 964 B14R1.148 C=C(C)CCSCc1cccc(c1)Cl 62a_100000187163_100000730704 [1,1,0,0,0,0|2,0,0]=4 965 B14R1.148 C=C(C)CCSCc1cccc(c1)Cl 62a_100000730704_100000187163 [1,1,0,0,0,0|2,0,0]=4 966 B14R1.148 C=C(C)CCSCc1cccc(c1)F 62a_100000230114_100000730704 [1,1,0,0,0,0|2,0,0]=4 967 B14R1.148 C=C(C)CCSCc1cccc(c1)F 62a_100000730704_100000230114 [1,1,0,0,0,0|2,0,0]=4 968 B14R1.148 C=C(C)CCSCc1cccc(c1)I 62a_100000730704_100011218688 [1,1,0,0,0,0|2,0,0]=4 969 B14R1.148 C=C(C)CCSCc1cccc(c1)I 62a_100011218688_100000730704 [1,1,0,0,0,0|2,0,0]=4 970 B14R1.148 C=C(C)CCSCc1cccc(c1)O 62a_100000730704_100011660834 [1,1,0,0,0,0|2,0,0]=4 971 B14R1.148 C=C(C)CCSCc1cccc(c1)O 62a_100011660834_100000730704 [1,1,0,0,0,0|2,0,0]=4 972 B14R1.148 CC(=O)CCCCc1cccc(c1)Br 1458a_200010160685_200000210301 [1,1,0,0,0,0|2,0,0]=4 973 B14R1.148 CC(=O)CCOCc1cccc(c1)Br 34a_100000759926_100000698116 [1,1,0,0,0,0|1,1,0]=4 974 B14R1.148 CC(=O)CCOCc1cccc(c1)Br 7a_100000687537_100000053229 [1,1,0,0,0,0|1,1,0]=4 975 B14R1.148 CC(=O)CCOCc1cccc(c1)Br 7a_100000759926_100000211773 [1,1,0,0,0,0|1,1,0]=4 976 B14R1.148 CC(=O)CCOCc1cccc(c1)C 34a_100000759926_100000211840 [1,1,0,0,0,0|1,1,0]=4 977 B14R1.148 CC(=O)CCOCc1cccc(c1)C 7a_100000759926_100000211840 [1,1,0,0,0,0|1,1,0]=4 978 B14R1.148 CC(=O)CCOCc1cccc(c1)C 7a_100011217746_100000053229 [1,1,0,0,0,0|1,1,0]=4 979 B14R1.148 CC(=O)CCOCc1cccc(c1)Cl 34a_100000759926_100000187163 [1,1,0,0,0,0|1,1,0]=4 980 B14R1.148 CC(=O)CCOCc1cccc(c1)Cl 7a_100000241301_100000053229 [1,1,0,0,0,0|1,1,0]=4 981 B14R1.148 CC(=O)CCOCc1cccc(c1)Cl 7a_100000759926_100000187163 [1,1,0,0,0,0|1,1,0]=4 982 B14R1.148 CC(=O)CCOCc1cccc(c1)F 34a_100000759926_100000187166 [1,1,0,0,0,0|1,1,0]=4 983 B14R1.148 CC(=O)CCOCc1cccc(c1)F 7a_100000210976_100000053229 [1,1,0,0,0,0|1,1,0]=4 984 B14R1.148 CC(=O)CCOCc1cccc(c1)F 7a_100000759926_100000230114 [1,1,0,0,0,0|1,1,0]=4 985 B14R1.148 CC(=O)CCOCc1cccc(c1)I 34a_100000759926_100011218688 [1,1,0,0,0,0|1,1,0]=4 986 B14R1.148 CC(=O)CCOCc1cccc(c1)I 7a_100000759926_100011218688 [1,1,0,0,0,0|1,1,0]=4 987 B14R1.148 CC(=O)CCOCc1cccc(c1)I 7a_100011215336_100000053229 [1,1,0,0,0,0|1,1,0]=4 988 B14R1.148 CC(=O)CCOCc1cccc(c1)O 34a_100000759926_100011660834 [1,1,0,0,0,0|1,1,0]=4 989 B14R1.148 CC(=O)CCOCc1cccc(c1)O 7a_100000759926_100000084143 [1,1,0,0,0,0|1,1,0]=4 990 B14R1.148 CC(=O)CCSCc1cc(ccn1)Br 62a_100000053229_100010173614 [1,1,0,0,0,0|2,0,0]=4 991 B14R1.148 CC(=O)CCSCc1cc(ccn1)Br 62a_100010173614_100000053229 [1,1,0,0,0,0|2,0,0]=4 992 B14R1.148 CC(=O)CCSCc1cc(ccn1)C 62a_100000053229_100000718516 [1,1,0,0,0,0|2,0,0]=4 993 B14R1.148 CC(=O)CCSCc1cc(ccn1)C 62a_100000718516_100000053229 [1,1,0,0,0,0|2,0,0]=4 994 B14R1.148 CC(=O)CCSCc1cc(ccn1)Cl 62a_100000053229_100016988179 [1,1,0,0,0,0|2,0,0]=4 995 B14R1.148 CC(=O)CCSCc1cc(ccn1)Cl 62a_100016988179_100000053229 [1,1,0,0,0,0|2,0,0]=4 996 B14R1.148 CC(=O)CCSCc1cccc(c1)Br 62a_100000053229_100000211773 [1,1,0,0,0,0|1,0,0]=3 997 B14R1.148 CC(=O)CCSCc1cccc(c1)Br 62a_100000211773_100000053229 [1,1,0,0,0,0|1,0,0]=3 998 B14R1.148 CC(=O)CCSCc1cccc(c1)C 62a_100000053229_100000211840 [1,1,0,0,0,0|1,0,0]=3 999 B14R1.148 CC(=O)CCSCc1cccc(c1)C 62a_100000211840_100000053229 [1,1,0,0,0,0|1,0,0]=3 1000 B14R1.148 CC(=O)CCSCc1cccc(c1)Cl 62a_100000053229_100000187163 [1,1,0,0,0,0|1,0,0]=3 1001 B14R1.148 CC(=O)CCSCc1cccc(c1)Cl 62a_100000187163_100000053229 [1,1,0,0,0,0|1,0,0]=3 1002 B14R1.148 CC(=O)CCSCc1cccc(c1)F 62a_100000053229_100000230114 [1,1,0,0,0,0|1,0,0]=3 1003 B14R1.148 CC(=O)CCSCc1cccc(c1)F 62a_100000230114_100000053229 [1,1,0,0,0,0|1,0,0]=3 1004 B14R1.148 CC(=O)CCSCc1cccc(c1)I 62a_100000053229_100011218688 [1,1,0,0,0,0|1,0,0]=3 1005 B14R1.148 CC(=O)CCSCc1cccc(c1)I 62a_100011218688_100000053229 [1,1,0,0,0,0|1,0,0]=3 1006 B14R1.148 CC(=O)CCSCc1cccc(c1)O 62a_100000053229_100011660834 [1,1,0,0,0,0|1,0,0]=3 1007 B14R1.148 CC(=O)CCSCc1cccc(c1)O 62a_100011660834_100000053229 [1,1,0,0,0,0|1,0,0]=3 1008 B14R1.148 CC(=O)CCSCc1cccc(n1)Br 62a_100000053229_100009889011 [1,1,0,0,0,0|2,0,0]=4 1009 B14R1.148 CC(=O)CCSCc1cccc(n1)Br 62a_100009889011_100000053229 [1,1,0,0,0,0|2,0,0]=4 1010 B14R1.148 CC(=O)CCSCc1cccc(n1)C 62a_100000053229_100000757606 [1,1,0,0,0,0|2,0,0]=4 1011 B14R1.148 CC(=O)CCSCc1cccc(n1)C 62a_100000757606_100000053229 [1,1,0,0,0,0|2,0,0]=4 1012 B14R1.148 CC(=O)CCSCc1cccc(n1)Cl 62a_100000053229_100000086093 [1,1,0,0,0,0|2,0,0]=4 1013 B14R1.148 CC(=O)CCSCc1cccc(n1)Cl 62a_100000086093_100000053229 [1,1,0,0,0,0|2,0,0]=4 1014 B14R1.148 CC(=O)CCSCc1cccc(n1)F 62a_100000053229_100009819644 [1,1,0,0,0,0|2,0,0]=4 1015 B14R1.148 CC(=O)CCSCc1cccc(n1)F 62a_100009819644_100000053229 [1,1,0,0,0,0|2,0,0]=4 1016 B14R1.148 CC(=O)CCSCc1ccnc(c1)Br 62a_100000053229_100010243470 [1,1,0,0,0,0|2,0,0]=4 1017 B14R1.148 CC(=O)CCSCc1ccnc(c1)Br 62a_100010254460_100000053229 [1,1,0,0,0,0|2,0,0]=4 1018 B14R1.148 CC(=O)CCSCc1ccnc(c1)C 62a_100000053229_200020672517 [1,1,0,0,0,0|2,0,0]=4 1019 B14R1.148 CC(=O)CCSCc1ccnc(c1)C 62a_200020672517_100000053229 [1,1,0,0,0,0|2,0,0]=4 1020 B14R1.148 CC(=O)CCSCc1ccnc(c1)Cl 62a_100000053229_100000764220 [1,1,0,0,0,0|2,0,0]=4 1021 B14R1.148 CC(=O)CCSCc1ccnc(c1)Cl 62a_100000764220_100000053229 [1,1,0,0,0,0|2,0,0]=4 1022 B14R1.148 CC(=O)CCSCc1cncc(c1)Br 62a_100000053229_100000738771 [1,1,0,0,0,0|2,0,0]=4 1023 B14R1.148 CC(=O)CCSCc1cncc(c1)Br 62a_100000738771_100000053229 [1,1,0,0,0,0|2,0,0]=4 1024 B14R1.148 CC(=O)CCSCc1cncc(c1)C 62a_100000053229_100000716715 [1,1,0,0,0,0|2,0,0]=4 1025 B14R1.148 CC(=O)CCSCc1cncc(c1)C 62a_100000716715_100000053229 [1,1,0,0,0,0|2,0,0]=4 1026 B14R1.148 CC(=O)CCSCc1cncc(c1)Cl 62a_100000053229_100016992070 [1,1,0,0,0,0|2,0,0]=4 1027 B14R1.148 CC(=O)CCSCc1cncc(c1)Cl 62a_100016992070_100000053229 [1,1,0,0,0,0|2,0,0]=4 1028 B14R1.148 CC(=O)CCSCc1cncc(c1)F 62a_100000053229_100000725299 [1,1,0,0,0,0|2,0,0]=4 1029 B14R1.148 CC(=O)CCSCc1cncc(c1)F 62a_100000725299_100000053229 [1,1,0,0,0,0|2,0,0]=4 1030 B14R1.148 CC(=O)OCSCc1cccc(c1)Br 62a_100000076356_100000211773 [1,1,0,0,0,0|2,0,0]=4 1031 B14R1.148 CC(=O)OCSCc1cccc(c1)Br 62a_100000211773_100000076356 [1,1,0,0,0,0|2,0,0]=4 1032 B14R1.148 CC(=O)OCSCc1cccc(c1)C 62a_100000076356_100000211840 [1,1,0,0,0,0|2,0,0]=4 1033 B14R1.148 CC(=O)OCSCc1cccc(c1)C 62a_100000211840_100000076356 [1,1,0,0,0,0|2,0,0]=4 1034 B14R1.148 CC(=O)OCSCc1cccc(c1)Cl 62a_100000076356_100000187163 [1,1,0,0,0,0|2,0,0]=4 1035 B14R1.148 CC(=O)OCSCc1cccc(c1)Cl 62a_100000187163_100000076356 [1,1,0,0,0,0|2,0,0]=4 1036 B14R1.148 CC(=O)OCSCc1cccc(c1)F 62a_100000076356_100000230114 [1,1,0,0,0,0|2,0,0]=4 1037 B14R1.148 CC(=O)OCSCc1cccc(c1)F 62a_100000230114_100000076356 [1,1,0,0,0,0|2,0,0]=4 1038 B14R1.148 CC(=O)OCSCc1cccc(c1)I 62a_100000076356_100011218688 [1,1,0,0,0,0|2,0,0]=4 1039 B14R1.148 CC(=O)OCSCc1cccc(c1)I 62a_100011218688_100000076356 [1,1,0,0,0,0|2,0,0]=4 1040 B14R1.148 CC(=O)OCSCc1cccc(c1)O 62a_100000076356_100011660834 [1,1,0,0,0,0|2,0,0]=4 1041 B14R1.148 CC(=O)OCSCc1cccc(c1)O 62a_100011660834_100000076356 [1,1,0,0,0,0|2,0,0]=4 1042 B14R1.148 CC(O)CCSCc1cccc(c1)Br 62a_100000211773_100012276601 [1,1,0,0,0,0|1,0,1]=4 1043 B14R1.148 CC(O)CCSCc1cccc(c1)Br 62a_100012276601_100000211773 [1,1,0,0,0,0|1,0,1]=4 1044 B14R1.148 CC(O)CCSCc1cccc(c1)Cl 62a_100000187163_100012276601 [1,1,0,0,0,0|1,0,1]=4 1045 B14R1.148 CC(O)CCSCc1cccc(c1)Cl 62a_100012276601_100000187163 [1,1,0,0,0,0|1,0,1]=4 1046 B14R1.148 CC(O)CCSCc1cccc(c1)F 62a_100000230114_100012276601 [1,1,0,0,0,0|1,0,1]=4 1047 B14R1.148 CC(O)CCSCc1cccc(c1)F 62a_100012276601_100000230114 [1,1,0,0,0,0|1,0,1]=4 1048 B14R1.148 CC(O)CCSCc1cccc(c1)I 62a_100011218688_100012276601 [1,1,0,0,0,0|1,0,1]=4 1049 B14R1.148 CC(O)CCSCc1cccc(c1)I 62a_100012276601_100011218688 [1,1,0,0,0,0|1,0,1]=4 1050 B14R1.148 CC(O)CCSCc1cccc(c1)O 62a_100011660834_100012276601 [1,1,0,0,0,0|1,0,1]=4 1051 B14R1.148 CC(O)CCSCc1cccc(c1)O 62a_100012276601_100011660834 [1,1,0,0,0,0|1,0,1]=4 1052 B14R1.148 Cc1cc(ccn1)CSCCC(=O)N 62a_100000744528_200020672517 [1,1,0,0,0,0|2,0,0]=4 1053 B14R1.148 Cc1cc(ccn1)CSCCC(=O)N 62a_200020672517_100000744528 [1,1,0,0,0,0|2,0,0]=4 1054 B14R1.148 Cc1cccc(c1)CCNCC(=O)O 269956a_100016091260_100011713685 [1,1,0,0,0,0|2,0,0]=4 1055 B14R1.148 Cc1cccc(c1)CNCCC(=O)N 207a_100000740010_100000211157 [1,1,0,0,0,0|2,0,0]=4 1056 B14R1.148 Cc1cccc(c1)CNCCC(=O)N 2230a_100000185548_100000744528 [1,1,0,0,0,0|2,0,0]=4 1057 B14R1.148 Cc1cccc(c1)CNCCC(=O)N 34a_100000185548_100000731001 [1,1,0,0,0,0|2,0,0]=4 1058 B14R1.148 Cc1cccc(c1)CNOCC(=O)O 269956a_100000106656_100000005736 [1,1,0,0,0,0|2,0,0]=4 1059 B14R1.148 Cc1cccc(c1)COCCC(=O)N 34a_100000757172_100000211840 [1,1,0,0,0,0|1,1,0]=4 1060 B14R1.148 Cc1cccc(c1)COCCC(=O)N 34a_100011217746_100000731001 [1,1,0,0,0,0|1,1,0]=4 1061 B14R1.148 Cc1cccc(c1)COCCC(=O)N 7a_100000757172_100000211840 [1,1,0,0,0,0|1,1,0]=4 1062 B14R1.148 Cc1cccc(c1)COCCC(=O)N 7a_100011217746_100000744528 [1,1,0,0,0,0|1,1,0]=4 1063 B14R1.148 Cc1cccc(c1)CSCCC(=O)N 62a_100000211840_100000744528 [1,1,0,0,0,0|1,0,0]=3 1064 B14R1.148 Cc1cccc(c1)CSCCC(=O)N 62a_100000744528_100000211840 [1,1,0,0,0,0|1,0,0]=3 1065 B14R1.148 Cc1cccc(c1)CSCCC(C)O 62a_100000211840_100012276601 [1,1,0,0,0,0|1,0,1]=4 1066 B14R1.148 Cc1cccc(c1)CSCCC(C)O 62a_100012276601_100000211840 [1,1,0,0,0,0|1,0,1]=4 1067 B14R1.148 Cc1cccc(n1)CSCCC(=O)N 62a_100000744528_100000757606 [1,1,0,0,0,0|2,0,0]=4 1068 B14R1.148 Cc1cccc(n1)CSCCC(=O)N 62a_100000757606_100000744528 [1,1,0,0,0,0|2,0,0]=4 1069 B14R1.148 Cc1ccnc(c1)CSCCC(=O)N 62a_100000718516_100000744528 [1,1,0,0,0,0|2,0,0]=4 1070 B14R1.148 Cc1ccnc(c1)CSCCC(=O)N 62a_100000744528_100000718516 [1,1,0,0,0,0|2,0,0]=4 1071 B14R1.148 Cc1cncc(c1)CSCCC(=O)N 62a_100000716715_100000744528 [1,1,0,0,0,0|2,0,0]=4 1072 B14R1.148 Cc1cncc(c1)CSCCC(=O)N 62a_100000744528_100000716715 [1,1,0,0,0,0|2,0,0]=4 1073 B14R1.148 NC(=O)CCNCc1cccc(c1)Br 207a_100000740010_100000210085 [1,1,0,0,0,0|2,0,0]=4 1074 B14R1.148 NC(=O)CCNCc1cccc(c1)Br 2230a_100000174977_100000744528 [1,1,0,0,0,0|2,0,0]=4 1075 B14R1.148 NC(=O)CCNCc1cccc(c1)Br 34a_100000174977_100000731001 [1,1,0,0,0,0|2,0,0]=4 1076 B14R1.148 NC(=O)CCNCc1cccc(c1)Cl 207a_100000740010_100000210801 [1,1,0,0,0,0|2,0,0]=4 1077 B14R1.148 NC(=O)CCNCc1cccc(c1)Cl 2230a_100000174878_100000744528 [1,1,0,0,0,0|2,0,0]=4 1078 B14R1.148 NC(=O)CCNCc1cccc(c1)Cl 34a_100000174878_100000731001 [1,1,0,0,0,0|2,0,0]=4 1079 B14R1.148 NC(=O)CCNCc1cccc(c1)F 207a_100000740010_100000210812 [1,1,0,0,0,0|2,0,0]=4 1080 B14R1.148 NC(=O)CCNCc1cccc(c1)F 2230a_100000174948_100000744528 [1,1,0,0,0,0|2,0,0]=4 1081 B14R1.148 NC(=O)CCNCc1cccc(c1)F 34a_100000174948_100000731001 [1,1,0,0,0,0|2,0,0]=4 1082 B14R1.148 NC(=O)CCNCc1cccc(c1)I 207a_100000740010_100000014684 [1,1,0,0,0,0|2,0,0]=4 1083 B14R1.148 NC(=O)CCNCc1cccc(c1)I 2230a_100000106179_100000744528 [1,1,0,0,0,0|2,0,0]=4 1084 B14R1.148 NC(=O)CCNCc1cccc(c1)I 34a_100000106179_100000731001 [1,1,0,0,0,0|2,0,0]=4 1085 B14R1.148 NC(=O)CCNCc1cccc(c1)O 207a_100000740010_100000188321 [1,1,0,0,0,0|2,0,0]=4 1086 B14R1.148 NC(=O)CCNCc1cccc(c1)O 2230a_100000743036_100000744528 [1,1,0,0,0,0|2,0,0]=4 1087 B14R1.148 NC(=O)CCNCc1cccc(c1)O 34a_100000743036_100000731001 [1,1,0,0,0,0|2,0,0]=4 1088 B14R1.148 NC(=O)CCOCc1cccc(c1)Br 34a_100000687537_100000731001 [1,1,0,0,0,0|1,1,0]=4 1089 B14R1.148 NC(=O)CCOCc1cccc(c1)Br 34a_100000757172_100000698116 [1,1,0,0,0,0|1,1,0]=4 1090 B14R1.148 NC(=O)CCOCc1cccc(c1)Br 7a_100000687537_100000744528 [1,1,0,0,0,0|1,1,0]=4 1091 B14R1.148 NC(=O)CCOCc1cccc(c1)Br 7a_100000757172_100000211773 [1,1,0,0,0,0|1,1,0]=4 1092 B14R1.148 NC(=O)CCOCc1cccc(c1)Cl 34a_100000241301_100000731001 [1,1,0,0,0,0|1,1,0]=4 1093 B14R1.148 NC(=O)CCOCc1cccc(c1)Cl 34a_100000757172_100000187163 [1,1,0,0,0,0|1,1,0]=4 1094 B14R1.148 NC(=O)CCOCc1cccc(c1)Cl 7a_100000241301_100000744528 [1,1,0,0,0,0|1,1,0]=4 1095 B14R1.148 NC(=O)CCOCc1cccc(c1)Cl 7a_100000757172_100000187163 [1,1,0,0,0,0|1,1,0]=4 1096 B14R1.148 NC(=O)CCOCc1cccc(c1)F 34a_100000210976_100000731001 [1,1,0,0,0,0|1,1,0]=4 1097 B14R1.148 NC(=O)CCOCc1cccc(c1)F 34a_100000757172_100000187166 [1,1,0,0,0,0|1,1,0]=4 1098 B14R1.148 NC(=O)CCOCc1cccc(c1)F 7a_100000210976_100000744528 [1,1,0,0,0,0|1,1,0]=4 1099 B14R1.148 NC(=O)CCOCc1cccc(c1)F 7a_100000757172_100000230114 [1,1,0,0,0,0|1,1,0]=4 1100 B14R1.148 NC(=O)CCOCc1cccc(c1)I 34a_100000757172_100011218688 [1,1,0,0,0,0|1,1,0]=4 1101 B14R1.148 NC(=O)CCOCc1cccc(c1)I 34a_100011215336_100000731001 [1,1,0,0,0,0|1,1,0]=4 1102 B14R1.148 NC(=O)CCOCc1cccc(c1)I 7a_100000757172_100011218688 [1,1,0,0,0,0|1,1,0]=4 1103 B14R1.148 NC(=O)CCOCc1cccc(c1)I 7a_100011215336_100000744528 [1,1,0,0,0,0|1,1,0]=4 1104 B14R1.148 NC(=O)CCOCc1cccc(c1)N 34a_100000211919_100000731001 [1,1,0,0,0,0|1,1,0]=4 1105 B14R1.148 NC(=O)CCOCc1cccc(c1)O 34a_100000757172_100011660834 [1,1,0,0,0,0|1,1,0]=4 1106 B14R1.148 NC(=O)CCOCc1cccc(c1)O 7a_100000757172_100000084143 [1,1,0,0,0,0|1,1,0]=4 1107 B14R1.148 NC(=O)CCSCc1cc(ccn1)Br 62a_100000744528_100010173614 [1,1,0,0,0,0|2,0,0]=4 1108 B14R1.148 NC(=O)CCSCc1cc(ccn1)Br 62a_100010173614_100000744528 [1,1,0,0,0,0|2,0,0]=4 1109 B14R1.148 NC(=O)CCSCc1cc(ccn1)Cl 62a_100000744528_100016988179 [1,1,0,0,0,0|2,0,0]=4 1110 B14R1.148 NC(=O)CCSCc1cc(ccn1)Cl 62a_100016988179_100000744528 [1,1,0,0,0,0|2,0,0]=4 1111 B14R1.148 NC(=O)CCSCc1cccc(c1)Br 62a_100000211773_100000744528 [1,1,0,0,0,0|1,0,0]=3 1112 B14R1.148 NC(=O)CCSCc1cccc(c1)Br 62a_100000744528_100000211773 [1,1,0,0,0,0|1,0,0]=3 1113 B14R1.148 NC(=O)CCSCc1cccc(c1)Cl 62a_100000187163_100000744528 [1,1,0,0,0,0|1,0,0]=3 1114 B14R1.148 NC(=O)CCSCc1cccc(c1)Cl 62a_100000744528_100000187163 [1,1,0,0,0,0|1,0,0]=3 1115 B14R1.148 NC(=O)CCSCc1cccc(c1)F 62a_100000230114_100000744528 [1,1,0,0,0,0|1,0,0]=3 1116 B14R1.148 NC(=O)CCSCc1cccc(c1)F 62a_100000744528_100000230114 [1,1,0,0,0,0|1,0,0]=3 1117 B14R1.148 NC(=O)CCSCc1cccc(c1)I 62a_100000744528_100011218688 [1,1,0,0,0,0|1,0,0]=3 1118 B14R1.148 NC(=O)CCSCc1cccc(c1)I 62a_100011218688_100000744528 [1,1,0,0,0,0|1,0,0]=3 1119 B14R1.148 NC(=O)CCSCc1cccc(c1)O 62a_100000744528_100011660834 [1,1,0,0,0,0|1,0,0]=3 1120 B14R1.148 NC(=O)CCSCc1cccc(c1)O 62a_100011660834_100000744528 [1,1,0,0,0,0|1,0,0]=3 1121 B14R1.148 NC(=O)CCSCc1cccc(n1)Br 62a_100000744528_100009889011 [1,1,0,0,0,0|2,0,0]=4 1122 B14R1.148 NC(=O)CCSCc1cccc(n1)Br 62a_100009889011_100000744528 [1,1,0,0,0,0|2,0,0]=4 1123 B14R1.148 NC(=O)CCSCc1cccc(n1)Cl 62a_100000086093_100000744528 [1,1,0,0,0,0|2,0,0]=4 1124 B14R1.148 NC(=O)CCSCc1cccc(n1)Cl 62a_100000744528_100000086093 [1,1,0,0,0,0|2,0,0]=4 1125 B14R1.148 NC(=O)CCSCc1cccc(n1)F 62a_100000744528_100009819644 [1,1,0,0,0,0|2,0,0]=4 1126 B14R1.148 NC(=O)CCSCc1cccc(n1)F 62a_100009819644_100000744528 [1,1,0,0,0,0|2,0,0]=4 1127 B14R1.148 NC(=O)CCSCc1ccnc(c1)Br 62a_100000744528_100010243470 [1,1,0,0,0,0|2,0,0]=4 1128 B14R1.148 NC(=O)CCSCc1ccnc(c1)Br 62a_100010254460_100000744528 [1,1,0,0,0,0|2,0,0]=4 1129 B14R1.148 NC(=O)CCSCc1ccnc(c1)Cl 62a_100000744528_100000764220 [1,1,0,0,0,0|2,0,0]=4 1130 B14R1.148 NC(=O)CCSCc1ccnc(c1)Cl 62a_100000764220_100000744528 [1,1,0,0,0,0|2,0,0]=4 1131 B14R1.148 NC(=O)CCSCc1cncc(c1)Br 62a_100000738771_100000744528 [1,1,0,0,0,0|2,0,0]=4 1132 B14R1.148 NC(=O)CCSCc1cncc(c1)Br 62a_100000744528_100000738771 [1,1,0,0,0,0|2,0,0]=4 1133 B14R1.148 NC(=O)CCSCc1cncc(c1)Cl 62a_100000744528_100016992070 [1,1,0,0,0,0|2,0,0]=4 1134 B14R1.148 NC(=O)CCSCc1cncc(c1)Cl 62a_100016992070_100000744528 [1,1,0,0,0,0|2,0,0]=4 1135 B14R1.148 NC(=O)CCSCc1cncc(c1)F 62a_100000725299_100000744528 [1,1,0,0,0,0|2,0,0]=4 1136 B14R1.148 NC(=O)CCSCc1cncc(c1)F 62a_100000744528_100000725299 [1,1,0,0,0,0|2,0,0]=4 1137 B14R1.148 O=C(O)CNCCc1cccc(c1)Br 269956a_100016091260_100011740638 [1,1,0,0,0,0|2,0,0]=4 1138 B14R1.148 O=C(O)CNCCc1cccc(c1)Cl 269956a_100016091260_100011713710 [1,1,0,0,0,0|2,0,0]=4 1139 B14R1.148 O=C(O)CNCCc1cccc(c1)F 269956a_100016091260_100011217235 [1,1,0,0,0,0|2,0,0]=4 1140 B14R1.148 O=C(O)CONCc1cccc(c1)Br 269956a_100000106656_100000211773 [1,1,0,0,0,0|2,0,0]=4 1141 B14R1.148 O=C(O)CONCc1cccc(c1)Cl 269956a_100000106656_100000187163 [1,1,0,0,0,0|2,0,0]=4 1142 B14R1.148 O=C(O)CONCc1cccc(c1)F 269956a_100000106656_100000230114 [1,1,0,0,0,0|2,0,0]=4 1143 B14R1.148 O=C(O)CONCc1cccc(c1)I 269956a_100000106656_100011218688 [1,1,0,0,0,0|2,0,0]=4 1144 B14R1.148 O=C(O)CONCc1cccc(c1)O 269956a_100000106656_100011660834 [1,1,0,0,0,0|2,0,0]=4 1145 B14R1.148 [13CH3]C(=O)CCCCc1cccc(c1)Br 1458a_200010160685_200025704644 [1,1,0,0,0,0|2,0,0]=4 1146 B14R1.159 C=C(C)CCSCc1ccccc1Br 62a_100000184730_100000730704 [1,1,0,0,0,0|2,0,0]=4 1147 B14R1.159 C=C(C)CCSCc1ccccc1Br 62a_100000730704_100000184730 [1,1,0,0,0,0|2,0,0]=4 1148 B14R1.159 C=C(C)CCSCc1ccccc1C 62a_100000211839_100000730704 [1,1,0,0,0,0|2,0,0]=4 1149 B14R1.159 C=C(C)CCSCc1ccccc1C 62a_100000730704_100000211839 [1,1,0,0,0,0|2,0,0]=4 1150 B14R1.159 C=C(C)CCSCc1ccccc1Cl 62a_100000187162_100000730704 [1,1,0,0,0,0|2,0,0]=4 1151 B14R1.159 C=C(C)CCSCc1ccccc1Cl 62a_100000730704_100000187162 [1,1,0,0,0,0|2,0,0]=4 1152 B14R1.159 C=C(C)CCSCc1ccccc1F 62a_100000211605_100000730704 [1,1,0,0,0,0|2,0,0]=4 1153 B14R1.159 C=C(C)CCSCc1ccccc1F 62a_100000730704_100000211605 [1,1,0,0,0,0|2,0,0]=4 1154 B14R1.159 C=C(C)CCSCc1ccccc1I 62a_100000730704_100011216222 [1,1,0,0,0,0|2,0,0]=4 1155 B14R1.159 C=C(C)CCSCc1ccccc1I 62a_100011216222_100000730704 [1,1,0,0,0,0|2,0,0]=4 1156 B14R1.159 CC(=O)CCOCc1ccccc1Br 34a_100000759926_100000184730 [1,1,0,0,0,0|1,1,0]=4 1157 B14R1.159 CC(=O)CCOCc1ccccc1Br 7a_100000756307_100000053229 [1,1,0,0,0,0|1,1,0]=4 1158 B14R1.159 CC(=O)CCOCc1ccccc1Br 7a_100000759926_100000184730 [1,1,0,0,0,0|1,1,0]=4 1159 B14R1.159 CC(=O)CCOCc1ccccc1C 34a_100000759926_100000211839 [1,1,0,0,0,0|1,1,0]=4 1160 B14R1.159 CC(=O)CCOCc1ccccc1C 7a_100000698903_100000053229 [1,1,0,0,0,0|1,1,0]=4 1161 B14R1.159 CC(=O)CCOCc1ccccc1C 7a_100000759926_100000211839 [1,1,0,0,0,0|1,1,0]=4 1162 B14R1.159 CC(=O)CCOCc1ccccc1Cl 34a_100000759926_100000187162 [1,1,0,0,0,0|1,1,0]=4 1163 B14R1.159 CC(=O)CCOCc1ccccc1Cl 7a_100000210847_100000053229 [1,1,0,0,0,0|1,1,0]=4 1164 B14R1.159 CC(=O)CCOCc1ccccc1Cl 7a_100000759926_100000187162 [1,1,0,0,0,0|1,1,0]=4 1165 B14R1.159 CC(=O)CCOCc1ccccc1F 34a_100000759926_100000211605 [1,1,0,0,0,0|1,1,0]=4 1166 B14R1.159 CC(=O)CCOCc1ccccc1F 7a_100000211962_100000053229 [1,1,0,0,0,0|1,1,0]=4 1167 B14R1.159 CC(=O)CCOCc1ccccc1F 7a_100000759926_100000211605 [1,1,0,0,0,0|1,1,0]=4 1168 B14R1.159 CC(=O)CCOCc1ccccc1I 34a_100000759926_100011215278 [1,1,0,0,0,0|1,1,0]=4 1169 B14R1.159 CC(=O)CCOCc1ccccc1I 7a_100000187465_100000053229 [1,1,0,0,0,0|1,1,0]=4 1170 B14R1.159 CC(=O)CCOCc1ccccc1I 7a_100000759926_100011215278 [1,1,0,0,0,0|1,1,0]=4 1171 B14R1.159 CC(=O)CCSCc1ccccc1Br 62a_100000053229_100000184730 [1,1,0,0,0,0|1,0,0]=3 1172 B14R1.159 CC(=O)CCSCc1ccccc1Br 62a_100000184730_100000053229 [1,1,0,0,0,0|1,0,0]=3 1173 B14R1.159 CC(=O)CCSCc1ccccc1C 62a_100000053229_100000211839 [1,1,0,0,0,0|1,0,0]=3 1174 B14R1.159 CC(=O)CCSCc1ccccc1C 62a_100000211839_100000053229 [1,1,0,0,0,0|1,0,0]=3 1175 B14R1.159 CC(=O)CCSCc1ccccc1Cl 62a_100000053229_100000187162 [1,1,0,0,0,0|1,0,0]=3 1176 B14R1.159 CC(=O)CCSCc1ccccc1Cl 62a_100000187162_100000053229 [1,1,0,0,0,0|1,0,0]=3 1177 B14R1.159 CC(=O)CCSCc1ccccc1F 62a_100000053229_100000211605 [1,1,0,0,0,0|1,0,0]=3 1178 B14R1.159 CC(=O)CCSCc1ccccc1F 62a_100000211605_100000053229 [1,1,0,0,0,0|1,0,0]=3 1179 B14R1.159 CC(=O)CCSCc1ccccc1I 62a_100000053229_100011216222 [1,1,0,0,0,0|1,0,0]=3 1180 B14R1.159 CC(=O)CCSCc1ccccc1I 62a_100011216222_100000053229 [1,1,0,0,0,0|1,0,0]=3 1181 B14R1.159 CC(=O)CCSCc1cccnc1Br 62a_100000053229_100010140945 [1,1,0,0,0,0|2,0,0]=4 1182 B14R1.159 CC(=O)CCSCc1cccnc1Br 62a_100010140945_100000053229 [1,1,0,0,0,0|2,0,0]=4 1183 B14R1.159 CC(=O)CCSCc1cccnc1C 62a_100000053229_100000732876 [1,1,0,0,0,0|2,0,0]=4 1184 B14R1.159 CC(=O)CCSCc1cccnc1C 62a_100000732876_100000053229 [1,1,0,0,0,0|2,0,0]=4 1185 B14R1.159 CC(=O)CCSCc1cccnc1Cl 62a_100000045678_100000053229 [1,1,0,0,0,0|2,0,0]=4 1186 B14R1.159 CC(=O)CCSCc1cccnc1Cl 62a_100000053229_100000045678 [1,1,0,0,0,0|2,0,0]=4 1187 B14R1.159 CC(=O)CCSCc1cccnc1F 62a_100000053229_100000099810 [1,1,0,0,0,0|2,0,0]=4 1188 B14R1.159 CC(=O)CCSCc1cccnc1F 62a_100000099810_100000053229 [1,1,0,0,0,0|2,0,0]=4 1189 B14R1.159 CC(=O)CCSCc1ccncc1C 62a_100000053229_100020672808 [1,1,0,0,0,0|2,0,0]=4 1190 B14R1.159 CC(=O)CCSCc1ccncc1C 62a_100020672808_100000053229 [1,1,0,0,0,0|2,0,0]=4 1191 B14R1.159 CC(=O)CCSCc1ccncc1Cl 62a_100000053229_100000763264 [1,1,0,0,0,0|2,0,0]=4 1192 B14R1.159 CC(=O)CCSCc1ccncc1Cl 62a_100000763264_100000053229 [1,1,0,0,0,0|2,0,0]=4 1193 B14R1.159 CC(=O)CCSCc1cnccc1C 62a_100000053229_100000690890 [1,1,0,0,0,0|2,0,0]=4 1194 B14R1.159 CC(=O)CCSCc1cnccc1C 62a_100000690890_100000053229 [1,1,0,0,0,0|2,0,0]=4 1195 B14R1.159 CC(=O)CCSCc1ncccc1Br 62a_100000053229_100025702911 [1,1,0,0,0,0|2,0,0]=4 1196 B14R1.159 CC(=O)CCSCc1ncccc1Br 62a_100025702911_100000053229 [1,1,0,0,0,0|2,0,0]=4 1197 B14R1.159 CC(=O)CCSCc1ncccc1C 62a_100000053229_100000696600 [1,1,0,0,0,0|2,0,0]=4 1198 B14R1.159 CC(=O)CCSCc1ncccc1C 62a_100000696600_100000053229 [1,1,0,0,0,0|2,0,0]=4 1199 B14R1.159 CC(=O)CCSCc1ncccc1Cl 62a_100000053229_100000099807 [1,1,0,0,0,0|2,0,0]=4 1200 B14R1.159 CC(=O)CCSCc1ncccc1Cl 62a_100000099807_100000053229 [1,1,0,0,0,0|2,0,0]=4 1201 B14R1.159 CC(=O)CCSCc1ncccc1F 62a_100000053229_100000104219 [1,1,0,0,0,0|2,0,0]=4 1202 B14R1.159 CC(=O)CCSCc1ncccc1F 62a_100000104219_100000053229 [1,1,0,0,0,0|2,0,0]=4 1203 B14R1.159 CC(=O)CCSCc1ncccc1O 62a_100000053229_200020655725 [1,1,0,0,0,0|2,0,0]=4 1204 B14R1.159 CC(=O)CCSCc1ncccc1O 62a_200020655725_100000053229 [1,1,0,0,0,0|2,0,0]=4 1205 B14R1.159 CC(=O)OCSCc1ccccc1Br 62a_100000076356_100000184730 [1,1,0,0,0,0|2,0,0]=4 1206 B14R1.159 CC(=O)OCSCc1ccccc1Br 62a_100000184730_100000076356 [1,1,0,0,0,0|2,0,0]=4 1207 B14R1.159 CC(=O)OCSCc1ccccc1C 62a_100000076356_100000211839 [1,1,0,0,0,0|2,0,0]=4 1208 B14R1.159 CC(=O)OCSCc1ccccc1C 62a_100000211839_100000076356 [1,1,0,0,0,0|2,0,0]=4 1209 B14R1.159 CC(=O)OCSCc1ccccc1Cl 62a_100000076356_100000187162 [1,1,0,0,0,0|2,0,0]=4 1210 B14R1.159 CC(=O)OCSCc1ccccc1Cl 62a_100000187162_100000076356 [1,1,0,0,0,0|2,0,0]=4 1211 B14R1.159 CC(=O)OCSCc1ccccc1F 62a_100000076356_100000211605 [1,1,0,0,0,0|2,0,0]=4 1212 B14R1.159 CC(=O)OCSCc1ccccc1F 62a_100000211605_100000076356 [1,1,0,0,0,0|2,0,0]=4 1213 B14R1.159 CC(=O)OCSCc1ccccc1I 62a_100000076356_100011216222 [1,1,0,0,0,0|2,0,0]=4 1214 B14R1.159 CC(=O)OCSCc1ccccc1I 62a_100011216222_100000076356 [1,1,0,0,0,0|2,0,0]=4 1215 B14R1.159 CC(O)CCSCc1ccccc1Br 62a_100000184730_100012276601 [1,1,0,0,0,0|1,0,1]=4 1216 B14R1.159 CC(O)CCSCc1ccccc1Br 62a_100012276601_100000184730 [1,1,0,0,0,0|1,0,1]=4 1217 B14R1.159 CC(O)CCSCc1ccccc1Cl 62a_100000187162_100012276601 [1,1,0,0,0,0|1,0,1]=4 1218 B14R1.159 CC(O)CCSCc1ccccc1Cl 62a_100012276601_100000187162 [1,1,0,0,0,0|1,0,1]=4 1219 B14R1.159 CC(O)CCSCc1ccccc1F 62a_100000211605_100012276601 [1,1,0,0,0,0|1,0,1]=4 1220 B14R1.159 CC(O)CCSCc1ccccc1F 62a_100012276601_100000211605 [1,1,0,0,0,0|1,0,1]=4 1221 B14R1.159 CC(O)CCSCc1ccccc1I 62a_100011216222_100012276601 [1,1,0,0,0,0|1,0,1]=4 1222 B14R1.159 CC(O)CCSCc1ccccc1I 62a_100012276601_100011216222 [1,1,0,0,0,0|1,0,1]=4 1223 B14R1.159 Cc1ccccc1CCNCC(=O)O 269956a_100016091260_100011713688 [1,1,0,0,0,0|2,0,0]=4 1224 B14R1.159 Cc1ccccc1CNCCC(=O)N 207a_100000740010_100000211143 [1,1,0,0,0,0|2,0,0]=4 1225 B14R1.159 Cc1ccccc1CNCCC(=O)N 34a_100000174972_100000731001 [1,1,0,0,0,0|2,0,0]=4 1226 B14R1.159 Cc1ccccc1CNOCC(=O)O 269956a_100000106656_100000211750 [1,1,0,0,0,0|2,0,0]=4 1227 B14R1.159 Cc1ccccc1COCCC(=O)N 34a_100000698903_100000731001 [1,1,0,0,0,0|1,1,0]=4 1228 B14R1.159 Cc1ccccc1COCCC(=O)N 34a_100000757172_100000211839 [1,1,0,0,0,0|1,1,0]=4 1229 B14R1.159 Cc1ccccc1COCCC(=O)N 7a_100000698903_100000744528 [1,1,0,0,0,0|1,1,0]=4 1230 B14R1.159 Cc1ccccc1COCCC(=O)N 7a_100000757172_100000211839 [1,1,0,0,0,0|1,1,0]=4 1231 B14R1.159 Cc1ccccc1CSCCC(=O)N 62a_100000211839_100000744528 [1,1,0,0,0,0|1,0,0]=3 1232 B14R1.159 Cc1ccccc1CSCCC(=O)N 62a_100000744528_100000211839 [1,1,0,0,0,0|1,0,0]=3 1233 B14R1.159 Cc1ccccc1CSCCC(C)O 62a_100000211839_100012276601 [1,1,0,0,0,0|1,0,1]=4 1234 B14R1.159 Cc1ccccc1CSCCC(C)O 62a_100012276601_100000211839 [1,1,0,0,0,0|1,0,1]=4 1235 B14R1.159 Cc1cccnc1CSCCC(=O)N 62a_100000696600_100000744528 [1,1,0,0,0,0|2,0,0]=4 1236 B14R1.159 Cc1cccnc1CSCCC(=O)N 62a_100000744528_100000696600 [1,1,0,0,0,0|2,0,0]=4 1237 B14R1.159 Cc1ccncc1CSCCC(=O)N 62a_100000690890_100000744528 [1,1,0,0,0,0|2,0,0]=4 1238 B14R1.159 Cc1ccncc1CSCCC(=O)N 62a_100000744528_100000690890 [1,1,0,0,0,0|2,0,0]=4 1239 B14R1.159 Cc1cnccc1CSCCC(=O)N 62a_100000744528_100020672808 [1,1,0,0,0,0|2,0,0]=4 1240 B14R1.159 Cc1cnccc1CSCCC(=O)N 62a_100020672808_100000744528 [1,1,0,0,0,0|2,0,0]=4 1241 B14R1.159 Cc1ncccc1CSCCC(=O)N 62a_100000732876_100000744528 [1,1,0,0,0,0|2,0,0]=4 1242 B14R1.159 Cc1ncccc1CSCCC(=O)N 62a_100000744528_100000732876 [1,1,0,0,0,0|2,0,0]=4 1243 B14R1.159 NC(=O)CCNCc1ccccc1Br 207a_100000740010_100000211189 [1,1,0,0,0,0|2,0,0]=4 1244 B14R1.159 NC(=O)CCNCc1ccccc1Br 2230a_100000689332_100000744528 [1,1,0,0,0,0|2,0,0]=4 1245 B14R1.159 NC(=O)CCNCc1ccccc1Br 34a_100000689332_100000731001 [1,1,0,0,0,0|2,0,0]=4 1246 B14R1.159 NC(=O)CCNCc1ccccc1Cl 207a_100000740010_100000210073 [1,1,0,0,0,0|2,0,0]=4 1247 B14R1.159 NC(=O)CCNCc1ccccc1Cl 2230a_100000174879_100000744528 [1,1,0,0,0,0|2,0,0]=4 1248 B14R1.159 NC(=O)CCNCc1ccccc1Cl 34a_100000174879_100000731001 [1,1,0,0,0,0|2,0,0]=4 1249 B14R1.159 NC(=O)CCNCc1ccccc1F 207a_100000740010_100000210811 [1,1,0,0,0,0|2,0,0]=4 1250 B14R1.159 NC(=O)CCNCc1ccccc1F 34a_100000174869_100000731001 [1,1,0,0,0,0|2,0,0]=4 1251 B14R1.159 NC(=O)CCNCc1ccccc1I 207a_100000740010_100000010305 [1,1,0,0,0,0|2,0,0]=4 1252 B14R1.159 NC(=O)CCNCc1ccccc1O 34a_100000185550_100000731001 [1,1,0,0,0,0|2,0,0]=4 1253 B14R1.159 NC(=O)CCOCc1ccccc1Br 34a_100000756307_100000731001 [1,1,0,0,0,0|1,1,0]=4 1254 B14R1.159 NC(=O)CCOCc1ccccc1Br 34a_100000757172_100000184730 [1,1,0,0,0,0|1,1,0]=4 1255 B14R1.159 NC(=O)CCOCc1ccccc1Br 7a_100000756307_100000744528 [1,1,0,0,0,0|1,1,0]=4 1256 B14R1.159 NC(=O)CCOCc1ccccc1Br 7a_100000757172_100000184730 [1,1,0,0,0,0|1,1,0]=4 1257 B14R1.159 NC(=O)CCOCc1ccccc1Cl 34a_100000210847_100000731001 [1,1,0,0,0,0|1,1,0]=4 1258 B14R1.159 NC(=O)CCOCc1ccccc1Cl 34a_100000757172_100000187162 [1,1,0,0,0,0|1,1,0]=4 1259 B14R1.159 NC(=O)CCOCc1ccccc1Cl 7a_100000210847_100000744528 [1,1,0,0,0,0|1,1,0]=4 1260 B14R1.159 NC(=O)CCOCc1ccccc1Cl 7a_100000757172_100000187162 [1,1,0,0,0,0|1,1,0]=4 1261 B14R1.159 NC(=O)CCOCc1ccccc1F 34a_100000211962_100000731001 [1,1,0,0,0,0|1,1,0]=4 1262 B14R1.159 NC(=O)CCOCc1ccccc1F 34a_100000757172_100000211605 [1,1,0,0,0,0|1,1,0]=4 1263 B14R1.159 NC(=O)CCOCc1ccccc1F 7a_100000211962_100000744528 [1,1,0,0,0,0|1,1,0]=4 1264 B14R1.159 NC(=O)CCOCc1ccccc1F 7a_100000757172_100000211605 [1,1,0,0,0,0|1,1,0]=4 1265 B14R1.159 NC(=O)CCOCc1ccccc1I 34a_100000187465_100000731001 [1,1,0,0,0,0|1,1,0]=4 1266 B14R1.159 NC(=O)CCOCc1ccccc1I 34a_100000757172_100011215278 [1,1,0,0,0,0|1,1,0]=4 1267 B14R1.159 NC(=O)CCOCc1ccccc1I 7a_100000187465_100000744528 [1,1,0,0,0,0|1,1,0]=4 1268 B14R1.159 NC(=O)CCOCc1ccccc1I 7a_100000757172_100011215278 [1,1,0,0,0,0|1,1,0]=4 1269 B14R1.159 NC(=O)CCOCc1ccccc1N 34a_100000212039_100000731001 [1,1,0,0,0,0|1,1,0]=4 1270 B14R1.159 NC(=O)CCSCc1ccccc1Br 62a_100000184730_100000744528 [1,1,0,0,0,0|1,0,0]=3 1271 B14R1.159 NC(=O)CCSCc1ccccc1Br 62a_100000744528_100000184730 [1,1,0,0,0,0|1,0,0]=3 1272 B14R1.159 NC(=O)CCSCc1ccccc1Cl 62a_100000187162_100000744528 [1,1,0,0,0,0|1,0,0]=3 1273 B14R1.159 NC(=O)CCSCc1ccccc1Cl 62a_100000744528_100000187162 [1,1,0,0,0,0|1,0,0]=3 1274 B14R1.159 NC(=O)CCSCc1ccccc1F 62a_100000211605_100000744528 [1,1,0,0,0,0|1,0,0]=3 1275 B14R1.159 NC(=O)CCSCc1ccccc1F 62a_100000744528_100000211605 [1,1,0,0,0,0|1,0,0]=3 1276 B14R1.159 NC(=O)CCSCc1ccccc1I 62a_100000744528_100011216222 [1,1,0,0,0,0|1,0,0]=3 1277 B14R1.159 NC(=O)CCSCc1ccccc1I 62a_100011216222_100000744528 [1,1,0,0,0,0|1,0,0]=3 1278 B14R1.159 NC(=O)CCSCc1cccnc1Br 62a_100000744528_100010140945 [1,1,0,0,0,0|2,0,0]=4 1279 B14R1.159 NC(=O)CCSCc1cccnc1Br 62a_100010140945_100000744528 [1,1,0,0,0,0|2,0,0]=4 1280 B14R1.159 NC(=O)CCSCc1cccnc1Cl 62a_100000045678_100000744528 [1,1,0,0,0,0|2,0,0]=4 1281 B14R1.159 NC(=O)CCSCc1cccnc1Cl 62a_100000744528_100000045678 [1,1,0,0,0,0|2,0,0]=4 1282 B14R1.159 NC(=O)CCSCc1cccnc1F 62a_100000099810_100000744528 [1,1,0,0,0,0|2,0,0]=4 1283 B14R1.159 NC(=O)CCSCc1cccnc1F 62a_100000744528_100000099810 [1,1,0,0,0,0|2,0,0]=4 1284 B14R1.159 NC(=O)CCSCc1ccncc1Cl 62a_100000744528_100000763264 [1,1,0,0,0,0|2,0,0]=4 1285 B14R1.159 NC(=O)CCSCc1ccncc1Cl 62a_100000763264_100000744528 [1,1,0,0,0,0|2,0,0]=4 1286 B14R1.159 NC(=O)CCSCc1ncccc1Br 62a_100000744528_100025702911 [1,1,0,0,0,0|2,0,0]=4 1287 B14R1.159 NC(=O)CCSCc1ncccc1Br 62a_100025702911_100000744528 [1,1,0,0,0,0|2,0,0]=4 1288 B14R1.159 NC(=O)CCSCc1ncccc1Cl 62a_100000099807_100000744528 [1,1,0,0,0,0|2,0,0]=4 1289 B14R1.159 NC(=O)CCSCc1ncccc1Cl 62a_100000744528_100000099807 [1,1,0,0,0,0|2,0,0]=4 1290 B14R1.159 NC(=O)CCSCc1ncccc1F 62a_100000104219_100000744528 [1,1,0,0,0,0|2,0,0]=4 1291 B14R1.159 NC(=O)CCSCc1ncccc1F 62a_100000744528_100000104219 [1,1,0,0,0,0|2,0,0]=4 1292 B14R1.159 NC(=O)CCSCc1ncccc1O 62a_100000744528_200020655725 [1,1,0,0,0,0|2,0,0]=4 1293 B14R1.159 NC(=O)CCSCc1ncccc1O 62a_200020655725_100000744528 [1,1,0,0,0,0|2,0,0]=4 1294 B14R1.159 O=C(O)CNCCc1ccccc1Br 269956a_100016091260_100012161201 [1,1,0,0,0,0|2,0,0]=4 1295 B14R1.159 O=C(O)CNCCc1ccccc1Cl 269956a_100016091260_100011713703 [1,1,0,0,0,0|2,0,0]=4 1296 B14R1.159 O=C(O)CNCCc1ccccc1F 269956a_100016091260_100011713696 [1,1,0,0,0,0|2,0,0]=4 1297 B14R1.159 O=C(O)CNCCc1ccccc1O 269956a_100016091260_100000722297 [1,1,0,0,0,0|2,0,0]=4 1298 B14R1.159 O=C(O)CONCc1ccccc1Br 269956a_100000106656_100000184730 [1,1,0,0,0,0|2,0,0]=4 1299 B14R1.159 O=C(O)CONCc1ccccc1Cl 269956a_100000106656_100000187162 [1,1,0,0,0,0|2,0,0]=4 1300 B14R1.159 O=C(O)CONCc1ccccc1F 269956a_100000106656_100000187165 [1,1,0,0,0,0|2,0,0]=4 1301 B14R1.159 O=C(O)CONCc1ccccc1I 269956a_100000106656_100011216222 [1,1,0,0,0,0|2,0,0]=4 1302 B14R1.420 C=C(C)CCSC(C)c1ccccc1 62a_100000230085_100000730704 [1,1,0,0,0,0|2,0,0]=4 1303 B14R1.420 C=C(C)CCSC(C)c1ccccc1 62a_100000730704_100000230085 [1,1,0,0,0,0|2,0,0]=4 1304 B14R1.420 CC(=O)CCOC(C)c1ccccc1 34a_100000759926_100000211855 [1,1,0,0,0,0|1,1,0]=4 1305 B14R1.420 CC(=O)CCOC(C)c1ccccc1 7a_100000759926_100000230085 [1,1,0,0,0,0|1,1,0]=4 1306 B14R1.420 CC(=O)CCO[C@H](C)c1ccccc1 7a_100000761318_100000053229 [1,1,0,0,0,0|1,1,0]=4 1307 B14R1.420 CC(=O)CCSC(C)c1ccccc1 62a_100000053229_100000230085 [1,1,0,0,0,0|1,0,0]=3 1308 B14R1.420 CC(=O)CCSC(C)c1ccccc1 62a_100000230085_100000053229 [1,1,0,0,0,0|1,0,0]=3 1309 B14R1.420 CC(=O)OCSC(C)c1ccccc1 62a_100000076356_100000230085 [1,1,0,0,0,0|2,0,0]=4 1310 B14R1.420 CC(=O)OCSC(C)c1ccccc1 62a_100000230085_100000076356 [1,1,0,0,0,0|2,0,0]=4 1311 B14R1.420 CC(CNCC(=O)O)c1ccccc1 269956a_100016091260_100000756946 [1,1,0,0,0,0|2,0,0]=4 1312 B14R1.420 CC(NCCC(=O)N)c1ccccc1 269862a_100000740010_100000185851 [1,1,0,0,0,0|2,0,0]=4 1313 B14R1.420 CC(NOCC(=O)O)c1ccccc1 269956a_100000106656_100000211855 [1,1,0,0,0,0|2,0,0]=4 1314 B14R1.420 CC(O)CCSC(C)c1ccccc1 62a_100000230085_100012276601 [1,1,0,0,0,0|1,0,1]=4 1315 B14R1.420 CC(O)CCSC(C)c1ccccc1 62a_100012276601_100000230085 [1,1,0,0,0,0|1,0,1]=4 1316 B14R1.420 CC(OCCC(=O)N)c1ccccc1 34a_100000757172_100000211855 [1,1,0,0,0,0|1,1,0]=4 1317 B14R1.420 CC(OCCC(=O)N)c1ccccc1 7a_100000757172_100000230085 [1,1,0,0,0,0|1,1,0]=4 1318 B14R1.420 CC(SCCC(=O)N)c1ccccc1 62a_100000230085_100000744528 [1,1,0,0,0,0|1,0,0]=3 1319 B14R1.420 CC(SCCC(=O)N)c1ccccc1 62a_100000744528_100000230085 [1,1,0,0,0,0|1,0,0]=3 1320 B14R1.420 C[C@@H](NCCC(=O)N)c1ccccc1 2230a_100000751104_100000744528 [1,1,0,0,0,0|2,0,0]=4 1321 B14R1.420 C[C@@H](OCCC(=O)N)c1ccccc1 34a_100000761318_100000731001 [1,1,0,0,0,0|1,1,0]=4 1322 B14R1.420 C[C@@H](OCCC(=O)N)c1ccccc1 7a_100000761318_100000744528 [1,1,0,0,0,0|1,1,0]=4 1323 B14R1.420 O=C(O)CNCC(O)c1ccccc1 269956a_100016091260_100000185958 [1,1,0,0,0,0|2,0,0]=4 1324 B14R1.420 O=C(O)CNC[C@@H](O)c1ccccc1 269956a_100016091260_100011933945 [1,1,0,0,0,0|2,0,0]=4 1325 B14R1.423 CC(=O)CCN(C)Cc1ccccc1 1458a_100000070787_100015196923 [1,1,0,0,0,0|2,0,0]=4 1326 B14R1.423 CC(=O)CCN(C)Cc1ccccc1 1458a_100000177486_200000210301 [1,1,0,0,0,0|2,0,0]=4 1327 B14R1.423 CC(=O)CCN(C)Cc1ccccc1 269982a_100000186898_100000053229 [1,1,0,0,0,0|2,0,0]=4 1328 B14R1.423 CC(Cc1ccccc1)NCC(=O)O 269956a_100016091260_200011218536 [1,1,0,0,0,0|2,0,0]=4 1329 B14R1.423 CN(CCC(=O)N)Cc1ccccc1 2230a_100000177509_200000210301 [1,1,0,0,0,0|2,0,0]=4 1330 B14R1.423 CN(CCC(=O)N)Cc1ccccc1 2230a_100000186898_100000744528 [1,1,0,0,0,0|2,0,0]=4 1331 B14R1.423 CN(CCC(=O)N)Cc1ccccc1 2230a_100000730477_100015291786 [1,1,0,0,0,0|2,0,0]=4 1332 B14R1.423 CN(CCC(=O)N)Cc1ccccc1 269982a_100000177509_200000210301 [1,1,0,0,0,0|2,0,0]=4 1333 B14R1.423 CN(CCC(=O)N)Cc1ccccc1 269982a_100000186898_100000744528 [1,1,0,0,0,0|2,0,0]=4 1334 B14R1.423 CN(CCC(=O)N)Cc1ccccc1 270004a_100000730477_100015611070 [1,1,0,0,0,0|2,0,0]=4 1335 B14R1.423 CN(CCC(=O)[13CH3])Cc1ccccc1 1458a_100000177486_200025704644 [1,1,0,0,0,0|2,0,0]=4 1336 B14R1.423 NC(=O)CCC(=O)Cc1ccccc1 1458a_100011215257_100015291786 [1,1,0,0,0,0|2,0,0]=4 1337 B14R1.423 [13CH3]N(CCC(=O)N)Cc1ccccc1 2230a_100000177509_200025704644 [1,1,0,0,0,0|2,0,0]=4 1338 B14R1.423 [13CH3]N(CCC(=O)N)Cc1ccccc1 269982a_100000177509_200025704644 [1,1,0,0,0,0|2,0,0]=4 1339 B14R1.677 C=C(C)CCSCc1ccc(cc1)Br 62a_100000189115_100000730704 [1,1,0,0,0,0|2,0,0]=4 1340 B14R1.677 C=C(C)CCSCc1ccc(cc1)Br 62a_100000730704_100000189115 [1,1,0,0,0,0|2,0,0]=4 1341 B14R1.677 C=C(C)CCSCc1ccc(cc1)C 62a_100000210814_100000730704 [1,1,0,0,0,0|2,0,0]=4 1342 B14R1.677 C=C(C)CCSCc1ccc(cc1)C 62a_100000730704_100000210814 [1,1,0,0,0,0|2,0,0]=4 1343 B14R1.677 C=C(C)CCSCc1ccc(cc1)Cl 62a_100000187161_100000730704 [1,1,0,0,0,0|2,0,0]=4 1344 B14R1.677 C=C(C)CCSCc1ccc(cc1)Cl 62a_100000730704_100000187161 [1,1,0,0,0,0|2,0,0]=4 1345 B14R1.677 C=C(C)CCSCc1ccc(cc1)F 62a_100000198546_100000730704 [1,1,0,0,0,0|2,0,0]=4 1346 B14R1.677 C=C(C)CCSCc1ccc(cc1)F 62a_100000730704_100000187164 [1,1,0,0,0,0|2,0,0]=4 1347 B14R1.677 C=C(C)CCSCc1ccc(cc1)I 62a_100000189116_100000730704 [1,1,0,0,0,0|2,0,0]=4 1348 B14R1.677 C=C(C)CCSCc1ccc(cc1)I 62a_100000730704_100000189116 [1,1,0,0,0,0|2,0,0]=4 1349 B14R1.677 CC(=O)CCCCc1ccc(cc1)Br 1458a_100000070787_200012094861 [1,1,0,0,0,0|2,0,0]=4 1350 B14R1.677 CC(=O)CCCCc1ccc(cc1)Br 1458a_100000741018_200000210301 [1,1,0,0,0,0|2,0,0]=4 1351 B14R1.677 CC(=O)CCCCc1ccc(cc1)Cl 1458a_100000684701_200000210301 [1,1,0,0,0,0|2,0,0]=4 1352 B14R1.677 CC(=O)CCCCc1ccc(cc1)F 1458a_100000070787_100012093538 [1,1,0,0,0,0|2,0,0]=4 1353 B14R1.677 CC(=O)CCCCc1ccc(cc1)F 1458a_100000703604_200000210301 [1,1,0,0,0,0|2,0,0]=4 1354 B14R1.677 CC(=O)CCCCc1ccc(cc1)I 1458a_100000749853_200000210301 [1,1,0,0,0,0|2,0,0]=4 1355 B14R1.677 CC(=O)CCCCc1ccc(cc1)O 1458a_100000047048_200000210301 [1,1,0,0,0,0|2,0,0]=4 1356 B14R1.677 CC(=O)CCOCc1ccc(cc1)Br 34a_100000759926_100000189115 [1,1,0,0,0,0|1,1,0]=4 1357 B14R1.677 CC(=O)CCOCc1ccc(cc1)Br 7a_100000759926_100011217064 [1,1,0,0,0,0|1,1,0]=4 1358 B14R1.677 CC(=O)CCOCc1ccc(cc1)C 34a_100000759926_100000210814 [1,1,0,0,0,0|1,1,0]=4 1359 B14R1.677 CC(=O)CCOCc1ccc(cc1)C 7a_100000759926_100000210814 [1,1,0,0,0,0|1,1,0]=4 1360 B14R1.677 CC(=O)CCOCc1ccc(cc1)C 7a_100011215236_100000053229 [1,1,0,0,0,0|1,1,0]=4 1361 B14R1.677 CC(=O)CCOCc1ccc(cc1)Cl 34a_100000759926_100000694040 [1,1,0,0,0,0|1,1,0]=4 1362 B14R1.677 CC(=O)CCOCc1ccc(cc1)Cl 7a_100000211118_100000053229 [1,1,0,0,0,0|1,1,0]=4 1363 B14R1.677 CC(=O)CCOCc1ccc(cc1)Cl 7a_100000759926_100000187161 [1,1,0,0,0,0|1,1,0]=4 1364 B14R1.677 CC(=O)CCOCc1ccc(cc1)F 34a_100000759926_100000198546 [1,1,0,0,0,0|1,1,0]=4 1365 B14R1.677 CC(=O)CCOCc1ccc(cc1)F 7a_100000210977_100000053229 [1,1,0,0,0,0|1,1,0]=4 1366 B14R1.677 CC(=O)CCOCc1ccc(cc1)F 7a_100000759926_100000198546 [1,1,0,0,0,0|1,1,0]=4 1367 B14R1.677 CC(=O)CCOCc1ccc(cc1)I 34a_100000759926_100000189116 [1,1,0,0,0,0|1,1,0]=4 1368 B14R1.677 CC(=O)CCOCc1ccc(cc1)I 7a_100000690907_100000053229 [1,1,0,0,0,0|1,1,0]=4 1369 B14R1.677 CC(=O)CCOCc1ccc(cc1)I 7a_100000759926_100000189116 [1,1,0,0,0,0|1,1,0]=4 1370 B14R1.677 CC(=O)CCSCc1ccc(cc1)Br 62a_100000053229_100000189115 [1,1,0,0,0,0|1,0,0]=3 1371 B14R1.677 CC(=O)CCSCc1ccc(cc1)Br 62a_100000189115_100000053229 [1,1,0,0,0,0|1,0,0]=3 1372 B14R1.677 CC(=O)CCSCc1ccc(cc1)C 1458a_200000173737_200000210301 [1,1,0,0,0,0|1,0,0]=3 1373 B14R1.677 CC(=O)CCSCc1ccc(cc1)C 62a_100000053229_100000210814 [1,1,0,0,0,0|1,0,0]=3 1374 B14R1.677 CC(=O)CCSCc1ccc(cc1)C 62a_100000210814_100000053229 [1,1,0,0,0,0|1,0,0]=3 1375 B14R1.677 CC(=O)CCSCc1ccc(cc1)Cl 62a_100000053229_100000187161 [1,1,0,0,0,0|1,0,0]=3 1376 B14R1.677 CC(=O)CCSCc1ccc(cc1)Cl 62a_100000187161_100000053229 [1,1,0,0,0,0|1,0,0]=3 1377 B14R1.677 CC(=O)CCSCc1ccc(cc1)F 62a_100000053229_100000187164 [1,1,0,0,0,0|1,0,0]=3 1378 B14R1.677 CC(=O)CCSCc1ccc(cc1)F 62a_100000198546_100000053229 [1,1,0,0,0,0|1,0,0]=3 1379 B14R1.677 CC(=O)CCSCc1ccc(cc1)I 62a_100000053229_100000189116 [1,1,0,0,0,0|1,0,0]=3 1380 B14R1.677 CC(=O)CCSCc1ccc(cc1)I 62a_100000189116_100000053229 [1,1,0,0,0,0|1,0,0]=3 1381 B14R1.677 CC(=O)CCSCc1ccc(cn1)Br 62a_100000053229_100000702658 [1,1,0,0,0,0|2,0,0]=4 1382 B14R1.677 CC(=O)CCSCc1ccc(cn1)Br 62a_100000702658_100000053229 [1,1,0,0,0,0|2,0,0]=4 1383 B14R1.677 CC(=O)CCSCc1ccc(cn1)C 62a_100000053229_100000691093 [1,1,0,0,0,0|2,0,0]=4 1384 B14R1.677 CC(=O)CCSCc1ccc(cn1)C 62a_100000691093_100000053229 [1,1,0,0,0,0|2,0,0]=4 1385 B14R1.677 CC(=O)CCSCc1ccc(cn1)Cl 62a_100000053229_100000697101 [1,1,0,0,0,0|2,0,0]=4 1386 B14R1.677 CC(=O)CCSCc1ccc(cn1)Cl 62a_100012066911_100000053229 [1,1,0,0,0,0|2,0,0]=4 1387 B14R1.677 CC(=O)CCSCc1ccc(cn1)F 62a_100000053229_100000703193 [1,1,0,0,0,0|2,0,0]=4 1388 B14R1.677 CC(=O)CCSCc1ccc(cn1)F 62a_100000703193_100000053229 [1,1,0,0,0,0|2,0,0]=4 1389 B14R1.677 CC(=O)CCSCc1ccc(nc1)Br 62a_100000053229_100009831999 [1,1,0,0,0,0|2,0,0]=4 1390 B14R1.677 CC(=O)CCSCc1ccc(nc1)Br 62a_100009831999_100000053229 [1,1,0,0,0,0|2,0,0]=4 1391 B14R1.677 CC(=O)CCSCc1ccc(nc1)C 62a_100000053229_100016987292 [1,1,0,0,0,0|2,0,0]=4 1392 B14R1.677 CC(=O)CCSCc1ccc(nc1)C 62a_100016987292_100000053229 [1,1,0,0,0,0|2,0,0]=4 1393 B14R1.677 CC(=O)CCSCc1ccc(nc1)Cl 62a_100000053229_100000735431 [1,1,0,0,0,0|2,0,0]=4 1394 B14R1.677 CC(=O)CCSCc1ccc(nc1)Cl 62a_100000735431_100000053229 [1,1,0,0,0,0|2,0,0]=4 1395 B14R1.677 CC(=O)CCSCc1ccc(nc1)F 62a_100000053229_100000099788 [1,1,0,0,0,0|2,0,0]=4 1396 B14R1.677 CC(=O)CCSCc1ccc(nc1)F 62a_100009820150_100000053229 [1,1,0,0,0,0|2,0,0]=4 1397 B14R1.677 CC(=O)OCSCc1ccc(cc1)Br 62a_100000076356_100000189115 [1,1,0,0,0,0|2,0,0]=4 1398 B14R1.677 CC(=O)OCSCc1ccc(cc1)Br 62a_100000189115_100000076356 [1,1,0,0,0,0|2,0,0]=4 1399 B14R1.677 CC(=O)OCSCc1ccc(cc1)C 62a_100000076356_100000210814 [1,1,0,0,0,0|2,0,0]=4 1400 B14R1.677 CC(=O)OCSCc1ccc(cc1)C 62a_100000210814_100000076356 [1,1,0,0,0,0|2,0,0]=4 1401 B14R1.677 CC(=O)OCSCc1ccc(cc1)Cl 62a_100000076356_100000187161 [1,1,0,0,0,0|2,0,0]=4 1402 B14R1.677 CC(=O)OCSCc1ccc(cc1)Cl 62a_100000187161_100000076356 [1,1,0,0,0,0|2,0,0]=4 1403 B14R1.677 CC(=O)OCSCc1ccc(cc1)F 62a_100000076356_100000187164 [1,1,0,0,0,0|2,0,0]=4 1404 B14R1.677 CC(=O)OCSCc1ccc(cc1)F 62a_100000198546_100000076356 [1,1,0,0,0,0|2,0,0]=4 1405 B14R1.677 CC(=O)OCSCc1ccc(cc1)I 62a_100000076356_100000189116 [1,1,0,0,0,0|2,0,0]=4 1406 B14R1.677 CC(=O)OCSCc1ccc(cc1)I 62a_100000189116_100000076356 [1,1,0,0,0,0|2,0,0]=4 1407 B14R1.677 CC(O)CCSCc1ccc(cc1)Br 62a_100000189115_100012276601 [1,1,0,0,0,0|1,0,1]=4 1408 B14R1.677 CC(O)CCSCc1ccc(cc1)Br 62a_100012276601_100000189115 [1,1,0,0,0,0|1,0,1]=4 1409 B14R1.677 CC(O)CCSCc1ccc(cc1)Cl 62a_100000187161_100012276601 [1,1,0,0,0,0|1,0,1]=4 1410 B14R1.677 CC(O)CCSCc1ccc(cc1)Cl 62a_100012276601_100000187161 [1,1,0,0,0,0|1,0,1]=4 1411 B14R1.677 CC(O)CCSCc1ccc(cc1)F 62a_100000198546_100012276601 [1,1,0,0,0,0|1,0,1]=4 1412 B14R1.677 CC(O)CCSCc1ccc(cc1)F 62a_100012276601_100000187164 [1,1,0,0,0,0|1,0,1]=4 1413 B14R1.677 CC(O)CCSCc1ccc(cc1)I 62a_100000189116_100012276601 [1,1,0,0,0,0|1,0,1]=4 1414 B14R1.677 CC(O)CCSCc1ccc(cc1)I 62a_100012276601_100000189116 [1,1,0,0,0,0|1,0,1]=4 1415 B14R1.677 Cc1ccc(cc1)CCNCC(=O)O 269956a_100016091260_100011713686 [1,1,0,0,0,0|2,0,0]=4 1416 B14R1.677 Cc1ccc(cc1)CNCCC(=O)N 207a_100000740010_100000211033 [1,1,0,0,0,0|2,0,0]=4 1417 B14R1.677 Cc1ccc(cc1)CNCCC(=O)N 2230a_100000174908_100000744528 [1,1,0,0,0,0|2,0,0]=4 1418 B14R1.677 Cc1ccc(cc1)CNCCC(=O)N 34a_100000174908_100000731001 [1,1,0,0,0,0|2,0,0]=4 1419 B14R1.677 Cc1ccc(cc1)CNOCC(=O)O 269956a_100000106656_100000210814 [1,1,0,0,0,0|2,0,0]=4 1420 B14R1.677 Cc1ccc(cc1)COCCC(=O)N 34a_100000757172_100000210814 [1,1,0,0,0,0|1,1,0]=4 1421 B14R1.677 Cc1ccc(cc1)COCCC(=O)N 34a_100011215236_100000731001 [1,1,0,0,0,0|1,1,0]=4 1422 B14R1.677 Cc1ccc(cc1)COCCC(=O)N 7a_100000757172_100000210814 [1,1,0,0,0,0|1,1,0]=4 1423 B14R1.677 Cc1ccc(cc1)COCCC(=O)N 7a_100011215236_100000744528 [1,1,0,0,0,0|1,1,0]=4 1424 B14R1.677 Cc1ccc(cc1)CSCCC(=O)N 62a_100000210814_100000744528 [1,1,0,0,0,0|1,0,0]=3 1425 B14R1.677 Cc1ccc(cc1)CSCCC(=O)N 62a_100000744528_100000210814 [1,1,0,0,0,0|1,0,0]=3 1426 B14R1.677 Cc1ccc(cc1)CSCCC(=O)[13CH3] 1458a_200000173737_200025704644 [1,1,0,0,0,0|1,0,0]=3 1427 B14R1.677 Cc1ccc(cc1)CSCCC(C)O 62a_100000210814_100012276601 [1,1,0,0,0,0|1,0,1]=4 1428 B14R1.677 Cc1ccc(cc1)CSCCC(C)O 62a_100012276601_100000210814 [1,1,0,0,0,0|1,0,1]=4 1429 B14R1.677 Cc1ccc(cn1)CSCCC(=O)N 62a_100000744528_100016987292 [1,1,0,0,0,0|2,0,0]=4 1430 B14R1.677 Cc1ccc(cn1)CSCCC(=O)N 62a_100016987292_100000744528 [1,1,0,0,0,0|2,0,0]=4 1431 B14R1.677 Cc1ccc(nc1)CSCCC(=O)N 62a_100000691093_100000744528 [1,1,0,0,0,0|2,0,0]=4 1432 B14R1.677 Cc1ccc(nc1)CSCCC(=O)N 62a_100000744528_100000691093 [1,1,0,0,0,0|2,0,0]=4 1433 B14R1.677 NC(=O)CCNCc1ccc(cc1)Br 207a_100000740010_100000186029 [1,1,0,0,0,0|2,0,0]=4 1434 B14R1.677 NC(=O)CCNCc1ccc(cc1)Br 2230a_100000174875_100000744528 [1,1,0,0,0,0|2,0,0]=4 1435 B14R1.677 NC(=O)CCNCc1ccc(cc1)Br 34a_100000174875_100000731001 [1,1,0,0,0,0|2,0,0]=4 1436 B14R1.677 NC(=O)CCNCc1ccc(cc1)Cl 207a_100000740010_100000189385 [1,1,0,0,0,0|2,0,0]=4 1437 B14R1.677 NC(=O)CCNCc1ccc(cc1)Cl 2230a_100000174871_100000744528 [1,1,0,0,0,0|2,0,0]=4 1438 B14R1.677 NC(=O)CCNCc1ccc(cc1)Cl 34a_100000174871_100000731001 [1,1,0,0,0,0|2,0,0]=4 1439 B14R1.677 NC(=O)CCNCc1ccc(cc1)F 207a_100000740010_100000210084 [1,1,0,0,0,0|2,0,0]=4 1440 B14R1.677 NC(=O)CCNCc1ccc(cc1)F 2230a_100000174882_100000744528 [1,1,0,0,0,0|2,0,0]=4 1441 B14R1.677 NC(=O)CCNCc1ccc(cc1)F 34a_100000174882_100000731001 [1,1,0,0,0,0|2,0,0]=4 1442 B14R1.677 NC(=O)CCNCc1ccc(cc1)I 207a_100000740010_100000188517 [1,1,0,0,0,0|2,0,0]=4 1443 B14R1.677 NC(=O)CCNCc1ccc(cc1)I 2230a_100016989417_100000744528 [1,1,0,0,0,0|2,0,0]=4 1444 B14R1.677 NC(=O)CCNCc1ccc(cc1)I 34a_100016989417_100000731001 [1,1,0,0,0,0|2,0,0]=4 1445 B14R1.677 NC(=O)CCNCc1ccc(cc1)O 34a_100000185549_100000731001 [1,1,0,0,0,0|2,0,0]=4 1446 B14R1.677 NC(=O)CCOCc1ccc(cc1)Br 34a_100000695286_100000731001 [1,1,0,0,0,0|1,1,0]=4 1447 B14R1.677 NC(=O)CCOCc1ccc(cc1)Br 34a_100000757172_100000189115 [1,1,0,0,0,0|1,1,0]=4 1448 B14R1.677 NC(=O)CCOCc1ccc(cc1)Br 7a_100000757172_100011217064 [1,1,0,0,0,0|1,1,0]=4 1449 B14R1.677 NC(=O)CCOCc1ccc(cc1)Cl 34a_100000211118_100000731001 [1,1,0,0,0,0|1,1,0]=4 1450 B14R1.677 NC(=O)CCOCc1ccc(cc1)Cl 34a_100000757172_100000694040 [1,1,0,0,0,0|1,1,0]=4 1451 B14R1.677 NC(=O)CCOCc1ccc(cc1)Cl 7a_100000211118_100000744528 [1,1,0,0,0,0|1,1,0]=4 1452 B14R1.677 NC(=O)CCOCc1ccc(cc1)Cl 7a_100000757172_100000187161 [1,1,0,0,0,0|1,1,0]=4 1453 B14R1.677 NC(=O)CCOCc1ccc(cc1)F 34a_100000210977_100000731001 [1,1,0,0,0,0|1,1,0]=4 1454 B14R1.677 NC(=O)CCOCc1ccc(cc1)F 34a_100000757172_100000198546 [1,1,0,0,0,0|1,1,0]=4 1455 B14R1.677 NC(=O)CCOCc1ccc(cc1)F 7a_100000210977_100000744528 [1,1,0,0,0,0|1,1,0]=4 1456 B14R1.677 NC(=O)CCOCc1ccc(cc1)F 7a_100000757172_100000198546 [1,1,0,0,0,0|1,1,0]=4 1457 B14R1.677 NC(=O)CCOCc1ccc(cc1)I 34a_100000690907_100000731001 [1,1,0,0,0,0|1,1,0]=4 1458 B14R1.677 NC(=O)CCOCc1ccc(cc1)I 34a_100000757172_100000189116 [1,1,0,0,0,0|1,1,0]=4 1459 B14R1.677 NC(=O)CCOCc1ccc(cc1)I 7a_100000690907_100000744528 [1,1,0,0,0,0|1,1,0]=4 1460 B14R1.677 NC(=O)CCOCc1ccc(cc1)I 7a_100000757172_100000189116 [1,1,0,0,0,0|1,1,0]=4 1461 B14R1.677 NC(=O)CCOCc1ccc(cc1)N 34a_100011215238_100000731001 [1,1,0,0,0,0|1,1,0]=4 1462 B14R1.677 NC(=O)CCSCc1ccc(cc1)Br 62a_100000189115_100000744528 [1,1,0,0,0,0|1,0,0]=3 1463 B14R1.677 NC(=O)CCSCc1ccc(cc1)Br 62a_100000744528_100000189115 [1,1,0,0,0,0|1,0,0]=3 1464 B14R1.677 NC(=O)CCSCc1ccc(cc1)Cl 62a_100000187161_100000744528 [1,1,0,0,0,0|1,0,0]=3 1465 B14R1.677 NC(=O)CCSCc1ccc(cc1)Cl 62a_100000744528_100000187161 [1,1,0,0,0,0|1,0,0]=3 1466 B14R1.677 NC(=O)CCSCc1ccc(cc1)F 62a_100000198546_100000744528 [1,1,0,0,0,0|1,0,0]=3 1467 B14R1.677 NC(=O)CCSCc1ccc(cc1)F 62a_100000744528_100000187164 [1,1,0,0,0,0|1,0,0]=3 1468 B14R1.677 NC(=O)CCSCc1ccc(cc1)I 62a_100000189116_100000744528 [1,1,0,0,0,0|1,0,0]=3 1469 B14R1.677 NC(=O)CCSCc1ccc(cc1)I 62a_100000744528_100000189116 [1,1,0,0,0,0|1,0,0]=3 1470 B14R1.677 NC(=O)CCSCc1ccc(cn1)Br 62a_100000702658_100000744528 [1,1,0,0,0,0|2,0,0]=4 1471 B14R1.677 NC(=O)CCSCc1ccc(cn1)Br 62a_100000744528_100000702658 [1,1,0,0,0,0|2,0,0]=4 1472 B14R1.677 NC(=O)CCSCc1ccc(cn1)Cl 62a_100000744528_100000697101 [1,1,0,0,0,0|2,0,0]=4 1473 B14R1.677 NC(=O)CCSCc1ccc(cn1)Cl 62a_100012066911_100000744528 [1,1,0,0,0,0|2,0,0]=4 1474 B14R1.677 NC(=O)CCSCc1ccc(cn1)F 62a_100000703193_100000744528 [1,1,0,0,0,0|2,0,0]=4 1475 B14R1.677 NC(=O)CCSCc1ccc(cn1)F 62a_100000744528_100000703193 [1,1,0,0,0,0|2,0,0]=4 1476 B14R1.677 NC(=O)CCSCc1ccc(nc1)Br 62a_100000744528_100009831999 [1,1,0,0,0,0|2,0,0]=4 1477 B14R1.677 NC(=O)CCSCc1ccc(nc1)Br 62a_100009831999_100000744528 [1,1,0,0,0,0|2,0,0]=4 1478 B14R1.677 NC(=O)CCSCc1ccc(nc1)Cl 62a_100000735431_100000744528 [1,1,0,0,0,0|2,0,0]=4 1479 B14R1.677 NC(=O)CCSCc1ccc(nc1)Cl 62a_100000744528_100000735431 [1,1,0,0,0,0|2,0,0]=4 1480 B14R1.677 NC(=O)CCSCc1ccc(nc1)F 62a_100000744528_100000099788 [1,1,0,0,0,0|2,0,0]=4 1481 B14R1.677 NC(=O)CCSCc1ccc(nc1)F 62a_100009820150_100000744528 [1,1,0,0,0,0|2,0,0]=4 1482 B14R1.677 O=C(O)CNCCc1ccc(cc1)Br 269956a_100016091260_100011740612 [1,1,0,0,0,0|2,0,0]=4 1483 B14R1.677 O=C(O)CNCCc1ccc(cc1)Cl 269956a_100016091260_100011713675 [1,1,0,0,0,0|2,0,0]=4 1484 B14R1.677 O=C(O)CNCCc1ccc(cc1)F 269956a_100016091260_100011217392 [1,1,0,0,0,0|2,0,0]=4 1485 B14R1.677 O=C(O)CNCCc1ccc(cc1)O 269956a_100016091260_100009816426 [1,1,0,0,0,0|2,0,0]=4 1486 B14R1.677 O=C(O)CONCc1ccc(cc1)Br 269956a_100000106656_100011217064 [1,1,0,0,0,0|2,0,0]=4 1487 B14R1.677 O=C(O)CONCc1ccc(cc1)Cl 269956a_100000106656_100000187161 [1,1,0,0,0,0|2,0,0]=4 1488 B14R1.677 O=C(O)CONCc1ccc(cc1)F 269956a_100000106656_100000198546 [1,1,0,0,0,0|2,0,0]=4 1489 B14R1.677 O=C(O)CONCc1ccc(cc1)I 269956a_100000106656_100000189116 [1,1,0,0,0,0|2,0,0]=4 1490 B14R1.677 [13CH3]C(=O)CCCCc1ccc(cc1)Br 1458a_100000741018_200025704644 [1,1,0,0,0,0|2,0,0]=4 1491 B14R1.677 [13CH3]C(=O)CCCCc1ccc(cc1)Cl 1458a_100000684701_200025704644 [1,1,0,0,0,0|2,0,0]=4 1492 B14R1.677 [13CH3]C(=O)CCCCc1ccc(cc1)F 1458a_100000703604_200025704644 [1,1,0,0,0,0|2,0,0]=4 1493 B14R1.677 [13CH3]C(=O)CCCCc1ccc(cc1)I 1458a_100000749853_200025704644 [1,1,0,0,0,0|2,0,0]=4 1494 B14R1.677 [13CH3]C(=O)CCCCc1ccc(cc1)O 1458a_100000047048_200025704644 [1,1,0,0,0,0|2,0,0]=4 1495 B14R1.716 C#CC(=O)CCCCc1ccccc1 1458a_100000211873_100000701786 [1,1,0,0,0,0|2,0,0]=4 1496 B14R1.716 C#CC(=O)CCOCc1ccccc1 1458a_100000211873_100000234347 [1,1,0,0,0,0|1,1,0]=4 1497 B14R1.716 C#CC(=O)CCSCc1ccccc1 1458a_100000211873_200011297719 [1,1,0,0,0,0|1,0,0]=3 1498 B14R1.716 C=CC(=O)CCCCc1ccccc1 1458a_100000185746_100000701786 [1,1,0,0,0,0|2,0,0]=4 1499 B14R1.716 C=CC(=O)CCOCc1ccccc1 1458a_100000185746_100000234347 [1,1,0,0,0,0|1,1,0]=4 1500 B14R1.716 C=CC(=O)CCSCc1ccccc1 1458a_100000185746_200011297719 [1,1,0,0,0,0|1,0,0]=3 1501 B14R1.716 CCC(=O)CCCCc1ccccc1 1458a_100000210414_100000701786 [1,1,0,0,0,0|2,0,0]=4 1502 B14R1.716 CCC(=O)CCCCc1ccccc1 1458a_100011215911_100000210202 [1,1,0,0,0,0|2,0,0]=4 1503 B14R1.716 CCC(=O)CCOCc1ccccc1 1458a_100000210414_100000234347 [1,1,0,0,0,0|1,1,0]=4 1504 B14R1.716 CCC(=O)CCOCc1ccccc1 1458a_100000743319_100000210202 [1,1,0,0,0,0|1,1,0]=4 1505 B14R1.716 CCC(=O)CCSCc1ccccc1 1458a_100000173759_100000210202 [1,1,0,0,0,0|1,0,0]=3 1506 B14R1.716 CCC(=O)CCSCc1ccccc1 1458a_100000210414_200011297719 [1,1,0,0,0,0|1,0,0]=3 1507 B14R1.716 CCC(=O)CCSCc1ccccn1 1458a_100000742633_100000210202 [1,1,0,0,0,0|2,0,0]=4 1508 B14R1.716 CNC(=O)CCCCc1ccccc1 11a_106832991635_100011215911 [1,1,0,0,0,0|2,0,0]=4 1509 B14R1.716 CNC(=O)CCCCc1ccccc1 1626a_100102657272_100011215911 [1,1,0,0,0,0|2,0,0]=4 1510 B14R1.716 CNC(=O)CCCCc1ccccc1 240690a_100102657272_100011215911 [1,1,0,0,0,0|2,0,0]=4 1511 B14R1.716 CNC(=O)CCCCc1ccccc1 527a_100102657272_100011215911 [1,1,0,0,0,0|2,0,0]=4 1512 B14R1.716 CNC(=O)CCNCc1ccccc1 207a_100000738227_100015611070 [1,1,0,0,0,0|2,0,0]=4 1513 B14R1.716 CNC(=O)CCNCc1ccccc1 2230a_100000738227_100015291786 [1,1,0,0,0,0|2,0,0]=4 1514 B14R1.716 CNC(=O)CCNCc1ccccc1 2230a_100015324214_100000737683 [1,1,0,0,0,0|2,0,0]=4 1515 B14R1.716 CNC(=O)CCNCc1ccccc1 270004a_100000738227_100015611070 [1,1,0,0,0,0|2,0,0]=4 1516 B14R1.716 CNC(=O)CCNCc1ccccc1 34a_100000738227_100015291786 [1,1,0,0,0,0|2,0,0]=4 1517 B14R1.716 CNC(=O)CCNCc1ccccc1 34a_100015324214_100012179268 [1,1,0,0,0,0|2,0,0]=4 1518 B14R1.716 CNC(=O)CCOCc1ccccc1 11a_106832991635_100000743319 [1,1,0,0,0,0|1,1,0]=4 1519 B14R1.716 CNC(=O)CCOCc1ccccc1 1626a_100102657272_100000743319 [1,1,0,0,0,0|1,1,0]=4 1520 B14R1.716 CNC(=O)CCOCc1ccccc1 240690a_100102657272_100000743319 [1,1,0,0,0,0|1,1,0]=4 1521 B14R1.716 CNC(=O)CCOCc1ccccc1 34a_100000210790_100012179268 [1,1,0,0,0,0|1,1,0]=4 1522 B14R1.716 CNC(=O)CCOCc1ccccc1 34a_100000754576_100015291786 [1,1,0,0,0,0|1,1,0]=4 1523 B14R1.716 CNC(=O)CCOCc1ccccc1 527a_100102657272_100000743319 [1,1,0,0,0,0|1,1,0]=4 1524 B14R1.716 CNC(=O)CCOCc1ccccc1 7a_100000210790_100000737683 [1,1,0,0,0,0|1,1,0]=4 1525 B14R1.716 CNC(=O)CCSCc1ccccc1 11a_106832991635_100000173759 [1,1,0,0,0,0|1,0,0]=3 1526 B14R1.716 CNC(=O)CCSCc1ccccc1 1626a_100102657272_100000173759 [1,1,0,0,0,0|1,0,0]=3 1527 B14R1.716 CNC(=O)CCSCc1ccccc1 240690a_100102657272_100000173759 [1,1,0,0,0,0|1,0,0]=3 1528 B14R1.716 CNC(=O)CCSCc1ccccc1 527a_100102657272_100000173759 [1,1,0,0,0,0|1,0,0]=3 1529 B14R1.716 CNC(=O)CCSCc1ccccc1 62a_100000211182_100000737683 [1,1,0,0,0,0|1,0,0]=3 1530 B14R1.716 CNC(=O)CCSCc1ccccc1 62a_100000737683_100015291786 [1,1,0,0,0,0|1,0,0]=3 1531 B14R1.716 CNC(=O)CCSCc1ccccn1 11a_106832991635_100000742633 [1,1,0,0,0,0|2,0,0]=4 1532 B14R1.716 CNC(=O)CCSCc1ccccn1 1626a_100102657272_100000742633 [1,1,0,0,0,0|2,0,0]=4 1533 B14R1.716 CNC(=O)CCSCc1ccccn1 240690a_100102657272_100000742633 [1,1,0,0,0,0|2,0,0]=4 1534 B14R1.716 CNC(=O)CCSCc1ccccn1 62a_100000721315_100000737683 [1,1,0,0,0,0|2,0,0]=4 1535 B14R1.716 CNC(=O)CCSCc1ccccn1 62a_100000737683_100000721315 [1,1,0,0,0,0|2,0,0]=4 1536 B14R1.716 CNC(=O)CCSCc1cccnc1 62a_100000737683_100000741622 [1,1,0,0,0,0|2,0,0]=4 1537 B14R1.716 CNC(=O)CCSCc1cccnc1 62a_100000741622_100000737683 [1,1,0,0,0,0|2,0,0]=4 1538 B14R1.716 CNC(=O)CCSCc1ccncc1 62a_100000737683_100015193705 [1,1,0,0,0,0|2,0,0]=4 1539 B14R1.716 CNC(=O)CCSCc1ccncc1 62a_100015193705_100000737683 [1,1,0,0,0,0|2,0,0]=4 1540 B14R1.716 COC(=O)CCCNc1ccccc1 34a_100000106764_100000742333 [1,1,0,0,0,0|2,0,0]=4 1541 B14R1.716 COC(=O)CCCOc1ccccc1 34a_100000210340_100000742333 [1,1,0,0,0,0|2,0,0]=4 1542 B14R1.716 COC(=O)CCCOc1ccccc1 7a_100000210340_100011218270 [1,1,0,0,0,0|2,0,0]=4 1543 B14R1.716 COC(=O)CCCSc1ccccc1 62a_100000719477_100011218270 [1,1,0,0,0,0|2,0,0]=4 1544 B14R1.716 COC(=O)CCCSc1ccccc1 62a_100011218270_100000041952 [1,1,0,0,0,0|2,0,0]=4 1545 B14R1.716 COC(=O)CCNCc1ccccc1 2230a_100015324214_100000204255 [1,1,0,0,0,0|1,0,0]=3 1546 B14R1.716 COC(=O)CCNCc1ccccc1 34a_100015324214_100000742370 [1,1,0,0,0,0|1,0,0]=3 1547 B14R1.716 COC(=O)CCOCc1ccccc1 34a_100000210790_100000742370 [1,1,0,0,0,0|0,1,0]=3 1548 B14R1.716 COC(=O)CCOCc1ccccc1 7a_100000210790_100000204255 [1,1,0,0,0,0|0,1,0]=3 1549 B14R1.716 COC(=O)CCSCc1ccccc1 62a_100000204255_100015291786 [1,1,0,0,0,0|0,0,0]=2 1550 B14R1.716 COC(=O)CCSCc1ccccc1 62a_100000211182_100000204255 [1,1,0,0,0,0|0,0,0]=2 1551 B14R1.716 COC(=O)CCSCc1ccccn1 62a_100000204255_100000721315 [1,1,0,0,0,0|1,0,0]=3 1552 B14R1.716 COC(=O)CCSCc1ccccn1 62a_100000721315_100000204255 [1,1,0,0,0,0|1,0,0]=3 1553 B14R1.716 COC(=O)CCSCc1cccnc1 62a_100000204255_100000741622 [1,1,0,0,0,0|1,0,0]=3 1554 B14R1.716 COC(=O)CCSCc1cccnc1 62a_100000741622_100000204255 [1,1,0,0,0,0|1,0,0]=3 1555 B14R1.716 COC(=O)CCSCc1cccnn1 62a_100000204255_100016990269 [1,1,0,0,0,0|2,0,0]=4 1556 B14R1.716 COC(=O)CCSCc1cccnn1 62a_100016990269_100000204255 [1,1,0,0,0,0|2,0,0]=4 1557 B14R1.716 COC(=O)CCSCc1ccncc1 62a_100000204255_100015193705 [1,1,0,0,0,0|1,0,0]=3 1558 B14R1.716 COC(=O)CCSCc1ccncc1 62a_100015193705_100000204255 [1,1,0,0,0,0|1,0,0]=3 1559 B14R1.716 COC(=O)CCSCc1cnccn1 62a_100000204255_100016995436 [1,1,0,0,0,0|2,0,0]=4 1560 B14R1.716 COC(=O)CCSCc1cnccn1 62a_100016995436_100000204255 [1,1,0,0,0,0|2,0,0]=4 1561 B14R1.716 COC(=O)CCSCc1cncnc1 62a_100000204255_100015196519 [1,1,0,0,0,0|2,0,0]=4 1562 B14R1.716 COC(=O)CCSCc1cncnc1 62a_100015196519_100000204255 [1,1,0,0,0,0|2,0,0]=4 1563 B14R1.716 COC(=O)CCSCc1ncccn1 62a_100000204255_100000703007 [1,1,0,0,0,0|2,0,0]=4 1564 B14R1.716 COC(=O)CCSCc1ncccn1 62a_100000703007_100000204255 [1,1,0,0,0,0|2,0,0]=4 1565 B14R1.716 COC(=O)CNCCc1ccccc1 2230a_100000106460_100000747449 [1,1,0,0,0,0|2,0,0]=4 1566 B14R1.716 COC(=O)CNCCc1ccccc1 34a_100000106460_100000747449 [1,1,0,0,0,0|2,0,0]=4 1567 B14R1.716 COC(=O)COCCc1ccccc1 34a_100000210268_100000747449 [1,1,0,0,0,0|2,0,0]=4 1568 B14R1.716 COC(=O)COCCc1ccccc1 7a_100000210268_100000747449 [1,1,0,0,0,0|2,0,0]=4 1569 B14R1.716 COC(=O)CSCCc1ccccc1 62a_100000747449_100011218657 [1,1,0,0,0,0|2,0,0]=4 1570 B14R1.716 COC(=O)CSCCc1ccccc1 62a_100000765856_100000747449 [1,1,0,0,0,0|2,0,0]=4 1571 B14R1.716 COC(=O)OCSCc1ccccc1 62a_100000211182_100000139417 [1,1,0,0,0,0|1,0,0]=3 1572 B14R1.716 COC(=O)OCSCc1ccccn1 62a_100000721315_100000139417 [1,1,0,0,0,0|2,0,0]=4 1573 B14R1.716 COC(=O)OCSCc1cccnc1 62a_100000741622_100000139417 [1,1,0,0,0,0|2,0,0]=4 1574 B14R1.716 COC(=O)OCSCc1ccncc1 62a_100015193705_100000139417 [1,1,0,0,0,0|2,0,0]=4 1575 B14R1.716 NC(=NO)CCOCc1ccccc1 34a_100000749954_100015291786 [1,1,0,0,0,0|1,1,0]=4 1576 B14R1.716 O=C(CF)CCCCc1ccccc1 1458a_100011215911_100015361967 [1,1,0,0,0,0|2,0,0]=4 1577 B14R1.716 O=C(CF)CCOCc1ccccc1 1458a_100000743319_100015361967 [1,1,0,0,0,0|1,1,0]=4 1578 B14R1.716 O=C(CF)CCSCc1ccccc1 1458a_100000173759_100015361967 [1,1,0,0,0,0|1,0,0]=3 1579 B14R1.716 O=C(CF)CCSCc1ccccn1 1458a_100000742633_100015361967 [1,1,0,0,0,0|2,0,0]=4 1580 B14R1.716 O=C(CO)CCCCc1ccccc1 1458a_100000210174_100000701786 [1,1,0,0,0,0|1,0,0]=3 1581 B14R1.716 O=C(CO)CCCCc1ccncc1 1458a_100000210174_100020630000 [1,1,0,0,0,0|2,0,0]=4 1582 B14R1.716 O=C(CO)CCCOc1ccccc1 1458a_100000210174_100000199009 [1,1,0,0,0,0|2,0,0]=4 1583 B14R1.716 O=C(CO)CCCSc1ccccc1 1458a_100000210174_200011203293 [1,1,0,0,0,0|2,0,0]=4 1584 B14R1.716 O=C(CO)CCOCc1ccccc1 1458a_100000210174_100000234347 [1,1,0,0,0,0|0,1,0]=3 1585 B14R1.716 O=C(CO)CCSCc1ccccc1 1458a_100000210174_200011297719 [1,1,0,0,0,0|0,0,0]=2 1586 B14R1.716 O=C(CO)NCCCc1ccccc1 240690a_100000211184_100000210174 [1,1,0,0,0,0|2,0,0]=4 1587 B14R1.716 O=C(CO)NCCCc1ccccc1 527a_100000211184_100000210174 [1,1,0,0,0,0|2,0,0]=4 1588 B14R1.818 CC(=O)OC(C)SCc1ccccc1 62a_100000211182_100009818208 [1,1,0,0,0,0|2,0,0]=4 1589 B14R1.818 CC(=O)OC(C)SCc1ccccc1 62a_100009818208_100015291786 [1,1,0,0,0,0|2,0,0]=4 1590 B14R1.818 CN(CCc1ccccc1)CC(=O)O 269956a_100000746989_100000765856 [1,1,0,0,0,0|2,0,0]=4 1591 B14R1.3331 CC(C)(O)CCSCc1ccccc1 62a_100000211182_100000702414 [1,1,0,0,0,0|1,0,1]=4 1592 B14R1.3331 CC(C)(O)CCSCc1ccccc1 62a_100000702414_100015291786 [1,1,0,0,0,0|1,0,1]=4 1593 B14R1.3331 CS(=O)(=O)CCSCc1ccccc1 62a_100000211182_100000230027 [1,1,0,0,0,0|1,0,1]=4 1594 B14R1.3331 CS(=O)(=O)CCSCc1ccccc1 62a_100000731031_100015291786 [1,1,0,0,0,0|1,0,1]=4 1595 B14R1.3331 O=S(=O)([O-])CCSCc1ccccc1 62a_100000211182_100000762736 [1,1,0,0,0,0|1,0,1]=4 1596 B14R1.3331 O=S(=O)([O-])CCSCc1ccccc1 62a_100000762736_100015291786 [1,1,0,0,0,0|1,0,1]=4 1597 B14R1.13 C=CC(O)CSCc1ccc(cc1)Br 62a_100000189115_100000730141 [1,1,0,0,0,0|2,0,0]=4 1598 B14R1.13 C=CC(O)CSCc1ccc(cc1)Br 62a_100000730141_100000189115 [1,1,0,0,0,0|2,0,0]=4 1599 B14R1.13 C=CC(O)CSCc1ccc(cc1)C 62a_100000210814_100000730141 [1,1,0,0,0,0|2,0,0]=4 1600 B14R1.13 C=CC(O)CSCc1ccc(cc1)C 62a_100000730141_100000210814 [1,1,0,0,0,0|2,0,0]=4 1601 B14R1.13 C=CC(O)CSCc1ccc(cc1)Cl 62a_100000187161_100000730141 [1,1,0,0,0,0|2,0,0]=4 1602 B14R1.13 C=CC(O)CSCc1ccc(cc1)Cl 62a_100000730141_100000187161 [1,1,0,0,0,0|2,0,0]=4 1603 B14R1.13 C=CC(O)CSCc1ccc(cc1)F 62a_100000198546_100000730141 [1,1,0,0,0,0|2,0,0]=4 1604 B14R1.13 C=CC(O)CSCc1ccc(cc1)F 62a_100000730141_100000187164 [1,1,0,0,0,0|2,0,0]=4 1605 B14R1.13 C=CC(O)CSCc1ccc(cc1)I 62a_100000189116_100000730141 [1,1,0,0,0,0|2,0,0]=4 1606 B14R1.13 C=CC(O)CSCc1ccc(cc1)I 62a_100000730141_100000189116 [1,1,0,0,0,0|2,0,0]=4 1607 B14R1.13 C=C[C@H](N)COCc1ccc(cc1)Br 34a_100016989147_100000189115 [1,1,0,0,0,0|1,1,0]=4 1608 B14R1.13 C=C[C@H](N)COCc1ccc(cc1)C 34a_100016989147_100000210814 [1,1,0,0,0,0|1,1,0]=4 1609 B14R1.13 C=C[C@H](N)COCc1ccc(cc1)Cl 34a_100016989147_100000694040 [1,1,0,0,0,0|1,1,0]=4 1610 B14R1.13 C=C[C@H](N)COCc1ccc(cc1)F 34a_100016989147_100000198546 [1,1,0,0,0,0|1,1,0]=4 1611 B14R1.13 C=C[C@H](N)COCc1ccc(cc1)I 34a_100016989147_100000189116 [1,1,0,0,0,0|1,1,0]=4 1612 B14R1.13 C[C@@H](CO)CSCc1ccc(cc1)Br 62a_100000059175_100000189115 [1,1,0,0,0,0|1,0,1]=4 1613 B14R1.13 C[C@@H](CO)CSCc1ccc(cc1)Br 62a_100000189115_100000059175 [1,1,0,0,0,0|1,0,1]=4 1614 B14R1.13 C[C@@H](CO)CSCc1ccc(cc1)Cl 62a_100000059175_100000187161 [1,1,0,0,0,0|1,0,1]=4 1615 B14R1.13 C[C@@H](CO)CSCc1ccc(cc1)Cl 62a_100000187161_100000059175 [1,1,0,0,0,0|1,0,1]=4 1616 B14R1.13 C[C@@H](CO)CSCc1ccc(cc1)F 62a_100000059175_100000187164 [1,1,0,0,0,0|1,0,1]=4 1617 B14R1.13 C[C@@H](CO)CSCc1ccc(cc1)F 62a_100000198546_100000059175 [1,1,0,0,0,0|1,0,1]=4 1618 B14R1.13 C[C@@H](CO)CSCc1ccc(cc1)I 62a_100000059175_100000189116 [1,1,0,0,0,0|1,0,1]=4 1619 B14R1.13 C[C@@H](CO)CSCc1ccc(cc1)I 62a_100000189116_100000059175 [1,1,0,0,0,0|1,0,1]=4 1620 B14R1.13 Cc1ccc(cc1)CSCC(O)CO 62a_100000210814_100011219619 [1,1,0,0,0,0|1,0,1]=4 1621 B14R1.13 Cc1ccc(cc1)CSCC(O)CO 62a_100011219619_100000210814 [1,1,0,0,0,0|1,0,1]=4 1622 B14R1.13 Cc1ccc(cc1)CSC[C@@H](C)CO 62a_100000059175_100000210814 [1,1,0,0,0,0|1,0,1]=4 1623 B14R1.13 Cc1ccc(cc1)CSC[C@@H](C)CO 62a_100000210814_100000059175 [1,1,0,0,0,0|1,0,1]=4 1624 B14R1.13 Cc1ccc(cc1)CSC[C@@H](O)CO 62a_100000210814_100009815848 [1,1,0,0,0,0|1,0,1]=4 1625 B14R1.13 Cc1ccc(cc1)CSC[C@@H](O)CO 62a_100009815848_100000210814 [1,1,0,0,0,0|1,0,1]=4 1626 B14R1.13 OCC(O)CSCc1ccc(cc1)Br 62a_100000189115_100011219619 [1,1,0,0,0,0|1,0,1]=4 1627 B14R1.13 OCC(O)CSCc1ccc(cc1)Br 62a_100011219619_100000189115 [1,1,0,0,0,0|1,0,1]=4 1628 B14R1.13 OCC(O)CSCc1ccc(cc1)Cl 62a_100000187161_100011219619 [1,1,0,0,0,0|1,0,1]=4 1629 B14R1.13 OCC(O)CSCc1ccc(cc1)Cl 62a_100011219619_100000187161 [1,1,0,0,0,0|1,0,1]=4 1630 B14R1.13 OCC(O)CSCc1ccc(cc1)F 62a_100000198546_100011219619 [1,1,0,0,0,0|1,0,1]=4 1631 B14R1.13 OCC(O)CSCc1ccc(cc1)F 62a_100011219619_100000187164 [1,1,0,0,0,0|1,0,1]=4 1632 B14R1.13 OCC(O)CSCc1ccc(cc1)I 62a_100000189116_100011219619 [1,1,0,0,0,0|1,0,1]=4 1633 B14R1.13 OCC(O)CSCc1ccc(cc1)I 62a_100011219619_100000189116 [1,1,0,0,0,0|1,0,1]=4 1634 B14R1.13 OC[C@H](O)CSCc1ccc(cc1)Br 62a_100000189115_100009815848 [1,1,0,0,0,0|1,0,1]=4 1635 B14R1.13 OC[C@H](O)CSCc1ccc(cc1)Br 62a_100009815848_100000189115 [1,1,0,0,0,0|1,0,1]=4 1636 B14R1.13 OC[C@H](O)CSCc1ccc(cc1)Cl 62a_100000187161_100009815848 [1,1,0,0,0,0|1,0,1]=4 1637 B14R1.13 OC[C@H](O)CSCc1ccc(cc1)Cl 62a_100009815848_100000187161 [1,1,0,0,0,0|1,0,1]=4 1638 B14R1.13 OC[C@H](O)CSCc1ccc(cc1)F 62a_100000198546_100009815848 [1,1,0,0,0,0|1,0,1]=4 1639 B14R1.13 OC[C@H](O)CSCc1ccc(cc1)F 62a_100009815848_100000187164 [1,1,0,0,0,0|1,0,1]=4 1640 B14R1.13 OC[C@H](O)CSCc1ccc(cc1)I 62a_100000189116_100009815848 [1,1,0,0,0,0|1,0,1]=4 1641 B14R1.13 OC[C@H](O)CSCc1ccc(cc1)I 62a_100009815848_100000189116 [1,1,0,0,0,0|1,0,1]=4 1642 B14R1.163 C=CC(O)CSC(C)c1ccccc1 62a_100000230085_100000730141 [1,1,0,0,0,0|2,0,0]=4 1643 B14R1.163 C=CC(O)CSC(C)c1ccccc1 62a_100000730141_100000230085 [1,1,0,0,0,0|2,0,0]=4 1644 B14R1.163 C=C[C@H](N)COC(C)c1ccccc1 34a_100016989147_100000211855 [1,1,0,0,0,0|1,1,0]=4 1645 B14R1.163 CC(SCC(O)CO)c1ccccc1 62a_100000230085_100011219619 [1,1,0,0,0,0|1,0,1]=4 1646 B14R1.163 CC(SCC(O)CO)c1ccccc1 62a_100011219619_100000230085 [1,1,0,0,0,0|1,0,1]=4 1647 B14R1.163 CC(SC[C@@H](C)CO)c1ccccc1 62a_100000059175_100000230085 [1,1,0,0,0,0|1,0,1]=4 1648 B14R1.163 CC(SC[C@@H](C)CO)c1ccccc1 62a_100000230085_100000059175 [1,1,0,0,0,0|1,0,1]=4 1649 B14R1.163 CC(SC[C@@H](O)CO)c1ccccc1 62a_100000230085_100009815848 [1,1,0,0,0,0|1,0,1]=4 1650 B14R1.163 CC(SC[C@@H](O)CO)c1ccccc1 62a_100009815848_100000230085 [1,1,0,0,0,0|1,0,1]=4 1651 B14R1.292 CC(C)(CO)CSCc1ccccc1 62a_100000211182_100009813988 [1,1,0,0,0,0|1,0,1]=4 1652 B14R1.292 CC(C)(CO)CSCc1ccccc1 62a_100009813988_100015291786 [1,1,0,0,0,0|1,0,1]=4 1653 B14R1.520 C=CC[C@@H](N)COCc1ccccc1 34a_100020615467_100015291786 [1,1,0,0,0,0|1,1,0]=4 1654 B14R1.520 COCC(N)COCc1ccccc1 34a_100000724102_100015291786 [1,1,0,0,0,0|0,1,1]=4 1655 B14R1.520 COCC(O)CSCc1ccccc1 62a_100000211182_100011215053 [1,1,0,0,0,0|1,0,1]=4 1656 B14R1.520 COCC(O)CSCc1ccccc1 62a_100011215053_100015291786 [1,1,0,0,0,0|1,0,1]=4 1657 B14R1.520 COC[C@@H](N)COCc1ccccc1 34a_100016995297_200000210301 [1,1,0,0,0,0|0,1,1]=4 1658 B14R1.520 [13CH3]OC[C@@H](N)COCc1ccccc1 34a_100016995297_200025704644 [1,1,0,0,0,0|0,1,1]=4 1659 B14R1.546 CN[C@H](CO)COCc1ccccc1 2230a_100016995297_200000210301 [1,1,0,0,0,0|0,1,1]=4 1660 B14R1.546 CN[C@H](CO)COCc1ccccc1 34a_100016995297_200000210301 [1,1,0,0,0,0|0,1,1]=4 1661 B14R1.546 [13CH3]N[C@H](CO)COCc1ccccc1 2230a_100016995297_200025704644 [1,1,0,0,0,0|0,1,1]=4 1662 B14R1.546 [13CH3]N[C@H](CO)COCc1ccccc1 34a_100016995297_200025704644 [1,1,0,0,0,0|0,1,1]=4 1663 B14R1.837 C=CC(O)CSCc1ccccc1Br 62a_100000184730_100000730141 [1,1,0,0,0,0|2,0,0]=4 1664 B14R1.837 C=CC(O)CSCc1ccccc1Br 62a_100000730141_100000184730 [1,1,0,0,0,0|2,0,0]=4 1665 B14R1.837 C=CC(O)CSCc1ccccc1C 62a_100000211839_100000730141 [1,1,0,0,0,0|2,0,0]=4 1666 B14R1.837 C=CC(O)CSCc1ccccc1C 62a_100000730141_100000211839 [1,1,0,0,0,0|2,0,0]=4 1667 B14R1.837 C=CC(O)CSCc1ccccc1Cl 62a_100000187162_100000730141 [1,1,0,0,0,0|2,0,0]=4 1668 B14R1.837 C=CC(O)CSCc1ccccc1Cl 62a_100000730141_100000187162 [1,1,0,0,0,0|2,0,0]=4 1669 B14R1.837 C=CC(O)CSCc1ccccc1F 62a_100000211605_100000730141 [1,1,0,0,0,0|2,0,0]=4 1670 B14R1.837 C=CC(O)CSCc1ccccc1F 62a_100000730141_100000211605 [1,1,0,0,0,0|2,0,0]=4 1671 B14R1.837 C=CC(O)CSCc1ccccc1I 62a_100000730141_100011216222 [1,1,0,0,0,0|2,0,0]=4 1672 B14R1.837 C=CC(O)CSCc1ccccc1I 62a_100011216222_100000730141 [1,1,0,0,0,0|2,0,0]=4 1673 B14R1.837 C=C[C@H](N)COCc1ccccc1Br 34a_100016989147_100000184730 [1,1,0,0,0,0|1,1,0]=4 1674 B14R1.837 C=C[C@H](N)COCc1ccccc1C 34a_100016989147_100000211839 [1,1,0,0,0,0|1,1,0]=4 1675 B14R1.837 C=C[C@H](N)COCc1ccccc1Cl 34a_100016989147_100000187162 [1,1,0,0,0,0|1,1,0]=4 1676 B14R1.837 C=C[C@H](N)COCc1ccccc1F 34a_100016989147_100000211605 [1,1,0,0,0,0|1,1,0]=4 1677 B14R1.837 C=C[C@H](N)COCc1ccccc1I 34a_100016989147_100011215278 [1,1,0,0,0,0|1,1,0]=4 1678 B14R1.837 C[C@@H](CO)CSCc1ccccc1Br 62a_100000059175_100000184730 [1,1,0,0,0,0|1,0,1]=4 1679 B14R1.837 C[C@@H](CO)CSCc1ccccc1Br 62a_100000184730_100000059175 [1,1,0,0,0,0|1,0,1]=4 1680 B14R1.837 C[C@@H](CO)CSCc1ccccc1Cl 62a_100000059175_100000187162 [1,1,0,0,0,0|1,0,1]=4 1681 B14R1.837 C[C@@H](CO)CSCc1ccccc1Cl 62a_100000187162_100000059175 [1,1,0,0,0,0|1,0,1]=4 1682 B14R1.837 C[C@@H](CO)CSCc1ccccc1F 62a_100000059175_100000211605 [1,1,0,0,0,0|1,0,1]=4 1683 B14R1.837 C[C@@H](CO)CSCc1ccccc1F 62a_100000211605_100000059175 [1,1,0,0,0,0|1,0,1]=4 1684 B14R1.837 C[C@@H](CO)CSCc1ccccc1I 62a_100000059175_100011216222 [1,1,0,0,0,0|1,0,1]=4 1685 B14R1.837 C[C@@H](CO)CSCc1ccccc1I 62a_100011216222_100000059175 [1,1,0,0,0,0|1,0,1]=4 1686 B14R1.837 Cc1ccccc1CSCC(O)CO 62a_100000211839_100011219619 [1,1,0,0,0,0|1,0,1]=4 1687 B14R1.837 Cc1ccccc1CSCC(O)CO 62a_100011219619_100000211839 [1,1,0,0,0,0|1,0,1]=4 1688 B14R1.837 Cc1ccccc1CSC[C@@H](C)CO 62a_100000059175_100000211839 [1,1,0,0,0,0|1,0,1]=4 1689 B14R1.837 Cc1ccccc1CSC[C@@H](C)CO 62a_100000211839_100000059175 [1,1,0,0,0,0|1,0,1]=4 1690 B14R1.837 Cc1ccccc1CSC[C@@H](O)CO 62a_100000211839_100009815848 [1,1,0,0,0,0|1,0,1]=4 1691 B14R1.837 Cc1ccccc1CSC[C@@H](O)CO 62a_100009815848_100000211839 [1,1,0,0,0,0|1,0,1]=4 1692 B14R1.837 OCC(O)CSCc1ccccc1Br 62a_100000184730_100011219619 [1,1,0,0,0,0|1,0,1]=4 1693 B14R1.837 OCC(O)CSCc1ccccc1Br 62a_100011219619_100000184730 [1,1,0,0,0,0|1,0,1]=4 1694 B14R1.837 OCC(O)CSCc1ccccc1Cl 62a_100000187162_100011219619 [1,1,0,0,0,0|1,0,1]=4 1695 B14R1.837 OCC(O)CSCc1ccccc1Cl 62a_100011219619_100000187162 [1,1,0,0,0,0|1,0,1]=4 1696 B14R1.837 OCC(O)CSCc1ccccc1F 62a_100000211605_100011219619 [1,1,0,0,0,0|1,0,1]=4 1697 B14R1.837 OCC(O)CSCc1ccccc1F 62a_100011219619_100000211605 [1,1,0,0,0,0|1,0,1]=4 1698 B14R1.837 OCC(O)CSCc1ccccc1I 62a_100011216222_100011219619 [1,1,0,0,0,0|1,0,1]=4 1699 B14R1.837 OCC(O)CSCc1ccccc1I 62a_100011219619_100011216222 [1,1,0,0,0,0|1,0,1]=4 1700 B14R1.837 OC[C@H](O)CSCc1ccccc1Br 62a_100000184730_100009815848 [1,1,0,0,0,0|1,0,1]=4 1701 B14R1.837 OC[C@H](O)CSCc1ccccc1Br 62a_100009815848_100000184730 [1,1,0,0,0,0|1,0,1]=4 1702 B14R1.837 OC[C@H](O)CSCc1ccccc1Cl 62a_100000187162_100009815848 [1,1,0,0,0,0|1,0,1]=4 1703 B14R1.837 OC[C@H](O)CSCc1ccccc1Cl 62a_100009815848_100000187162 [1,1,0,0,0,0|1,0,1]=4 1704 B14R1.837 OC[C@H](O)CSCc1ccccc1F 62a_100000211605_100009815848 [1,1,0,0,0,0|1,0,1]=4 1705 B14R1.837 OC[C@H](O)CSCc1ccccc1F 62a_100009815848_100000211605 [1,1,0,0,0,0|1,0,1]=4 1706 B14R1.837 OC[C@H](O)CSCc1ccccc1I 62a_100009815848_100011216222 [1,1,0,0,0,0|1,0,1]=4 1707 B14R1.837 OC[C@H](O)CSCc1ccccc1I 62a_100011216222_100009815848 [1,1,0,0,0,0|1,0,1]=4 1708 B14R1.1025 C=CC(O)CSCc1cccc(c1)Br 62a_100000211773_100000730141 [1,1,0,0,0,0|2,0,0]=4 1709 B14R1.1025 C=CC(O)CSCc1cccc(c1)Br 62a_100000730141_100000211773 [1,1,0,0,0,0|2,0,0]=4 1710 B14R1.1025 C=CC(O)CSCc1cccc(c1)C 62a_100000211840_100000730141 [1,1,0,0,0,0|2,0,0]=4 1711 B14R1.1025 C=CC(O)CSCc1cccc(c1)C 62a_100000730141_100000211840 [1,1,0,0,0,0|2,0,0]=4 1712 B14R1.1025 C=CC(O)CSCc1cccc(c1)Cl 62a_100000187163_100000730141 [1,1,0,0,0,0|2,0,0]=4 1713 B14R1.1025 C=CC(O)CSCc1cccc(c1)Cl 62a_100000730141_100000187163 [1,1,0,0,0,0|2,0,0]=4 1714 B14R1.1025 C=CC(O)CSCc1cccc(c1)F 62a_100000230114_100000730141 [1,1,0,0,0,0|2,0,0]=4 1715 B14R1.1025 C=CC(O)CSCc1cccc(c1)F 62a_100000730141_100000230114 [1,1,0,0,0,0|2,0,0]=4 1716 B14R1.1025 C=CC(O)CSCc1cccc(c1)I 62a_100000730141_100011218688 [1,1,0,0,0,0|2,0,0]=4 1717 B14R1.1025 C=CC(O)CSCc1cccc(c1)I 62a_100011218688_100000730141 [1,1,0,0,0,0|2,0,0]=4 1718 B14R1.1025 C=CC(O)CSCc1cccc(c1)O 62a_100000730141_100011660834 [1,1,0,0,0,0|2,0,0]=4 1719 B14R1.1025 C=CC(O)CSCc1cccc(c1)O 62a_100011660834_100000730141 [1,1,0,0,0,0|2,0,0]=4 1720 B14R1.1025 C=C[C@H](N)COCc1cccc(c1)Br 34a_100016989147_100000698116 [1,1,0,0,0,0|1,1,0]=4 1721 B14R1.1025 C=C[C@H](N)COCc1cccc(c1)C 34a_100016989147_100000211840 [1,1,0,0,0,0|1,1,0]=4 1722 B14R1.1025 C=C[C@H](N)COCc1cccc(c1)Cl 34a_100016989147_100000187163 [1,1,0,0,0,0|1,1,0]=4 1723 B14R1.1025 C=C[C@H](N)COCc1cccc(c1)F 34a_100016989147_100000187166 [1,1,0,0,0,0|1,1,0]=4 1724 B14R1.1025 C=C[C@H](N)COCc1cccc(c1)I 34a_100016989147_100011218688 [1,1,0,0,0,0|1,1,0]=4 1725 B14R1.1025 C=C[C@H](N)COCc1cccc(c1)O 34a_100016989147_100011660834 [1,1,0,0,0,0|1,1,0]=4 1726 B14R1.1025 C[C@@H](CO)CSCc1cccc(c1)Br 62a_100000059175_100000211773 [1,1,0,0,0,0|1,0,1]=4 1727 B14R1.1025 C[C@@H](CO)CSCc1cccc(c1)Br 62a_100000211773_100000059175 [1,1,0,0,0,0|1,0,1]=4 1728 B14R1.1025 C[C@@H](CO)CSCc1cccc(c1)Cl 62a_100000059175_100000187163 [1,1,0,0,0,0|1,0,1]=4 1729 B14R1.1025 C[C@@H](CO)CSCc1cccc(c1)Cl 62a_100000187163_100000059175 [1,1,0,0,0,0|1,0,1]=4 1730 B14R1.1025 C[C@@H](CO)CSCc1cccc(c1)F 62a_100000059175_100000230114 [1,1,0,0,0,0|1,0,1]=4 1731 B14R1.1025 C[C@@H](CO)CSCc1cccc(c1)F 62a_100000230114_100000059175 [1,1,0,0,0,0|1,0,1]=4 1732 B14R1.1025 C[C@@H](CO)CSCc1cccc(c1)I 62a_100000059175_100011218688 [1,1,0,0,0,0|1,0,1]=4 1733 B14R1.1025 C[C@@H](CO)CSCc1cccc(c1)I 62a_100011218688_100000059175 [1,1,0,0,0,0|1,0,1]=4 1734 B14R1.1025 C[C@@H](CO)CSCc1cccc(c1)O 62a_100000059175_100011660834 [1,1,0,0,0,0|1,0,1]=4 1735 B14R1.1025 C[C@@H](CO)CSCc1cccc(c1)O 62a_100011660834_100000059175 [1,1,0,0,0,0|1,0,1]=4 1736 B14R1.1025 Cc1cccc(c1)CSCC(O)CO 62a_100000211840_100011219619 [1,1,0,0,0,0|1,0,1]=4 1737 B14R1.1025 Cc1cccc(c1)CSCC(O)CO 62a_100011219619_100000211840 [1,1,0,0,0,0|1,0,1]=4 1738 B14R1.1025 Cc1cccc(c1)CSC[C@@H](C)CO 62a_100000059175_100000211840 [1,1,0,0,0,0|1,0,1]=4 1739 B14R1.1025 Cc1cccc(c1)CSC[C@@H](C)CO 62a_100000211840_100000059175 [1,1,0,0,0,0|1,0,1]=4 1740 B14R1.1025 Cc1cccc(c1)CSC[C@@H](O)CO 62a_100000211840_100009815848 [1,1,0,0,0,0|1,0,1]=4 1741 B14R1.1025 Cc1cccc(c1)CSC[C@@H](O)CO 62a_100009815848_100000211840 [1,1,0,0,0,0|1,0,1]=4 1742 B14R1.1025 OCC(O)CSCc1cccc(c1)Br 62a_100000211773_100011219619 [1,1,0,0,0,0|1,0,1]=4 1743 B14R1.1025 OCC(O)CSCc1cccc(c1)Br 62a_100011219619_100000211773 [1,1,0,0,0,0|1,0,1]=4 1744 B14R1.1025 OCC(O)CSCc1cccc(c1)Cl 62a_100000187163_100011219619 [1,1,0,0,0,0|1,0,1]=4 1745 B14R1.1025 OCC(O)CSCc1cccc(c1)Cl 62a_100011219619_100000187163 [1,1,0,0,0,0|1,0,1]=4 1746 B14R1.1025 OCC(O)CSCc1cccc(c1)F 62a_100000230114_100011219619 [1,1,0,0,0,0|1,0,1]=4 1747 B14R1.1025 OCC(O)CSCc1cccc(c1)F 62a_100011219619_100000230114 [1,1,0,0,0,0|1,0,1]=4 1748 B14R1.1025 OCC(O)CSCc1cccc(c1)I 62a_100011218688_100011219619 [1,1,0,0,0,0|1,0,1]=4 1749 B14R1.1025 OCC(O)CSCc1cccc(c1)I 62a_100011219619_100011218688 [1,1,0,0,0,0|1,0,1]=4 1750 B14R1.1025 OCC(O)CSCc1cccc(c1)O 62a_100011219619_100011660834 [1,1,0,0,0,0|1,0,1]=4 1751 B14R1.1025 OCC(O)CSCc1cccc(c1)O 62a_100011660834_100011219619 [1,1,0,0,0,0|1,0,1]=4 1752 B14R1.1025 OC[C@H](O)CSCc1cccc(c1)Br 62a_100000211773_100009815848 [1,1,0,0,0,0|1,0,1]=4 1753 B14R1.1025 OC[C@H](O)CSCc1cccc(c1)Br 62a_100009815848_100000211773 [1,1,0,0,0,0|1,0,1]=4 1754 B14R1.1025 OC[C@H](O)CSCc1cccc(c1)Cl 62a_100000187163_100009815848 [1,1,0,0,0,0|1,0,1]=4 1755 B14R1.1025 OC[C@H](O)CSCc1cccc(c1)Cl 62a_100009815848_100000187163 [1,1,0,0,0,0|1,0,1]=4 1756 B14R1.1025 OC[C@H](O)CSCc1cccc(c1)F 62a_100000230114_100009815848 [1,1,0,0,0,0|1,0,1]=4 1757 B14R1.1025 OC[C@H](O)CSCc1cccc(c1)F 62a_100009815848_100000230114 [1,1,0,0,0,0|1,0,1]=4 1758 B14R1.1025 OC[C@H](O)CSCc1cccc(c1)I 62a_100009815848_100011218688 [1,1,0,0,0,0|1,0,1]=4 1759 B14R1.1025 OC[C@H](O)CSCc1cccc(c1)I 62a_100011218688_100009815848 [1,1,0,0,0,0|1,0,1]=4 1760 B14R1.1025 OC[C@H](O)CSCc1cccc(c1)O 62a_100009815848_100011660834 [1,1,0,0,0,0|1,0,1]=4 1761 B14R1.1025 OC[C@H](O)CSCc1cccc(c1)O 62a_100011660834_100009815848 [1,1,0,0,0,0|1,0,1]=4 1762 B14R1.161 CC(=O)C(C)SCc1ccccc1Br 62a_100000184730_100009814033 [0,1,0,0,1,0|2,0,0]=4 1763 B14R1.161 CC(=O)C(C)SCc1ccccc1Br 62a_100009814033_100000184730 [0,1,0,0,1,0|2,0,0]=4 1764 B14R1.161 CC(=O)C(C)SCc1ccccc1C 62a_100000211839_100009814033 [0,1,0,0,1,0|2,0,0]=4 1765 B14R1.161 CC(=O)C(C)SCc1ccccc1C 62a_100009814033_100000211839 [0,1,0,0,1,0|2,0,0]=4 1766 B14R1.161 CC(=O)C(C)SCc1ccccc1Cl 62a_100000187162_100009814033 [0,1,0,0,1,0|2,0,0]=4 1767 B14R1.161 CC(=O)C(C)SCc1ccccc1Cl 62a_100009814033_100000187162 [0,1,0,0,1,0|2,0,0]=4 1768 B14R1.161 CC(=O)C(C)SCc1ccccc1F 62a_100000211605_100009814033 [0,1,0,0,1,0|2,0,0]=4 1769 B14R1.161 CC(=O)C(C)SCc1ccccc1F 62a_100009814033_100000211605 [0,1,0,0,1,0|2,0,0]=4 1770 B14R1.161 CC(=O)C(C)SCc1ccccc1I 62a_100009814033_100011216222 [0,1,0,0,1,0|2,0,0]=4 1771 B14R1.161 CC(=O)C(C)SCc1ccccc1I 62a_100011216222_100009814033 [0,1,0,0,1,0|2,0,0]=4 1772 B14R1.161 CC(SCc1ccccc1Br)C(=O)N 62a_100000184730_100000702099 [0,1,0,0,1,0|2,0,0]=4 1773 B14R1.161 CC(SCc1ccccc1Br)C(=O)N 62a_100000702099_100000184730 [0,1,0,0,1,0|2,0,0]=4 1774 B14R1.161 CC(SCc1ccccc1Cl)C(=O)N 62a_100000187162_100000702099 [0,1,0,0,1,0|2,0,0]=4 1775 B14R1.161 CC(SCc1ccccc1Cl)C(=O)N 62a_100000702099_100000187162 [0,1,0,0,1,0|2,0,0]=4 1776 B14R1.161 CC(SCc1ccccc1F)C(=O)N 62a_100000211605_100000702099 [0,1,0,0,1,0|2,0,0]=4 1777 B14R1.161 CC(SCc1ccccc1F)C(=O)N 62a_100000702099_100000211605 [0,1,0,0,1,0|2,0,0]=4 1778 B14R1.161 CC(SCc1ccccc1I)C(=O)N 62a_100000702099_100011216222 [0,1,0,0,1,0|2,0,0]=4 1779 B14R1.161 CC(SCc1ccccc1I)C(=O)N 62a_100011216222_100000702099 [0,1,0,0,1,0|2,0,0]=4 1780 B14R1.161 C[C@H](NCc1ccccc1Br)C(=O)O 269956a_100000743915_100000184730 [0,1,0,0,1,0|2,0,0]=4 1781 B14R1.161 C[C@H](NCc1ccccc1Cl)C(=O)O 269956a_100000743915_100000187162 [0,1,0,0,1,0|2,0,0]=4 1782 B14R1.161 C[C@H](NCc1ccccc1F)C(=O)O 269956a_100000743915_100000187165 [0,1,0,0,1,0|2,0,0]=4 1783 B14R1.161 C[C@H](NCc1ccccc1I)C(=O)O 269956a_100000743915_100011216222 [0,1,0,0,1,0|2,0,0]=4 1784 B14R1.161 Cc1ccccc1CN[C@@H](C)C(=O)O 269956a_100000743915_100000211750 [0,1,0,0,1,0|2,0,0]=4 1785 B14R1.161 Cc1ccccc1CSC(C)C(=O)N 62a_100000211839_100000702099 [0,1,0,0,1,0|2,0,0]=4 1786 B14R1.161 Cc1ccccc1CSC(C)C(=O)N 62a_100000702099_100000211839 [0,1,0,0,1,0|2,0,0]=4 1787 B14R1.161 Cc1ccccc1CSC(F)C(=O)N 62a_100000211839_100009813875 [0,1,0,0,1,0|2,0,0]=4 1788 B14R1.161 Cc1ccccc1CSC(F)C(=O)N 62a_100009813875_100000211839 [0,1,0,0,1,0|2,0,0]=4 1789 B14R1.161 Cc1ccccc1CSC(F)C(=O)[O-] 62a_100000211839_100020610796 [0,1,0,0,1,0|1,0,1]=4 1790 B14R1.161 Cc1ccccc1CSC(F)C(=O)[O-] 62a_100020610796_100000211839 [0,1,0,0,1,0|1,0,1]=4 1791 B14R1.161 NC(=O)C(F)SCc1ccccc1Br 62a_100000184730_100009813875 [0,1,0,0,1,0|2,0,0]=4 1792 B14R1.161 NC(=O)C(F)SCc1ccccc1Br 62a_100009813875_100000184730 [0,1,0,0,1,0|2,0,0]=4 1793 B14R1.161 NC(=O)C(F)SCc1ccccc1Cl 62a_100000187162_100009813875 [0,1,0,0,1,0|2,0,0]=4 1794 B14R1.161 NC(=O)C(F)SCc1ccccc1Cl 62a_100009813875_100000187162 [0,1,0,0,1,0|2,0,0]=4 1795 B14R1.161 NC(=O)C(F)SCc1ccccc1F 62a_100000211605_100009813875 [0,1,0,0,1,0|2,0,0]=4 1796 B14R1.161 NC(=O)C(F)SCc1ccccc1F 62a_100009813875_100000211605 [0,1,0,0,1,0|2,0,0]=4 1797 B14R1.161 NC(=O)C(F)SCc1ccccc1I 62a_100009813875_100011216222 [0,1,0,0,1,0|2,0,0]=4 1798 B14R1.161 NC(=O)C(F)SCc1ccccc1I 62a_100011216222_100009813875 [0,1,0,0,1,0|2,0,0]=4 1799 B14R1.161 O=C([O-])C(F)SCc1ccccc1Br 62a_100000184730_100020610796 [0,1,0,0,1,0|1,0,1]=4 1800 B14R1.161 O=C([O-])C(F)SCc1ccccc1Br 62a_100020610796_100000184730 [0,1,0,0,1,0|1,0,1]=4 1801 B14R1.161 O=C([O-])C(F)SCc1ccccc1Cl 62a_100000187162_100020610796 [0,1,0,0,1,0|1,0,1]=4 1802 B14R1.161 O=C([O-])C(F)SCc1ccccc1Cl 62a_100020610796_100000187162 [0,1,0,0,1,0|1,0,1]=4 1803 B14R1.161 O=C([O-])C(F)SCc1ccccc1F 62a_100000211605_100020610796 [0,1,0,0,1,0|1,0,1]=4 1804 B14R1.161 O=C([O-])C(F)SCc1ccccc1F 62a_100020610796_100000211605 [0,1,0,0,1,0|1,0,1]=4 1805 B14R1.161 O=C([O-])C(F)SCc1ccccc1I 62a_100011216222_100020610796 [0,1,0,0,1,0|1,0,1]=4 1806 B14R1.161 O=C([O-])C(F)SCc1ccccc1I 62a_100020610796_100011216222 [0,1,0,0,1,0|1,0,1]=4 1807 B14R1.415 CC(=O)C(C)SC(C)c1ccccc1 62a_100000230085_100009814033 [0,1,0,0,1,0|2,0,0]=4 1808 B14R1.415 CC(=O)C(C)SC(C)c1ccccc1 62a_100009814033_100000230085 [0,1,0,0,1,0|2,0,0]=4 1809 B14R1.415 CC(N[C@@H](C)C(=O)O)c1ccccc1 269956a_100000743915_100000211855 [0,1,0,0,1,0|2,0,0]=4 1810 B14R1.415 CC(SC(C)c1ccccc1)C(=O)N 62a_100000230085_100000702099 [0,1,0,0,1,0|2,0,0]=4 1811 B14R1.415 CC(SC(C)c1ccccc1)C(=O)N 62a_100000702099_100000230085 [0,1,0,0,1,0|2,0,0]=4 1812 B14R1.415 CC(SC(F)C(=O)N)c1ccccc1 62a_100000230085_100009813875 [0,1,0,0,1,0|2,0,0]=4 1813 B14R1.415 CC(SC(F)C(=O)N)c1ccccc1 62a_100009813875_100000230085 [0,1,0,0,1,0|2,0,0]=4 1814 B14R1.415 CC(SC(F)C(=O)[O-])c1ccccc1 62a_100000230085_100020610796 [0,1,0,0,1,0|1,0,1]=4 1815 B14R1.415 CC(SC(F)C(=O)[O-])c1ccccc1 62a_100020610796_100000230085 [0,1,0,0,1,0|1,0,1]=4 1816 B14R1.425 CC(C(=O)O)N(C)Cc1ccccc1 269956a_100000740634_200000210301 [0,1,0,0,1,0|2,0,0]=4 1817 B14R1.425 CC(C(=O)O)N(C)Cc1ccccc1 269956a_100000749554_100015291786 [0,1,0,0,1,0|2,0,0]=4 1818 B14R1.425 CC(C(=O)O)N([13CH3])Cc1ccccc1 269956a_100000740634_200025704644 [0,1,0,0,1,0|2,0,0]=4 1819 B14R1.679 CC(=O)C(C)SCc1ccc(cc1)Br 62a_100000189115_100009814033 [0,1,0,0,1,0|2,0,0]=4 1820 B14R1.679 CC(=O)C(C)SCc1ccc(cc1)Br 62a_100009814033_100000189115 [0,1,0,0,1,0|2,0,0]=4 1821 B14R1.679 CC(=O)C(C)SCc1ccc(cc1)C 62a_100000210814_100009814033 [0,1,0,0,1,0|2,0,0]=4 1822 B14R1.679 CC(=O)C(C)SCc1ccc(cc1)C 62a_100009814033_100000210814 [0,1,0,0,1,0|2,0,0]=4 1823 B14R1.679 CC(=O)C(C)SCc1ccc(cc1)Cl 1458a_200000149568_200000210301 [0,1,0,0,1,0|2,0,0]=4 1824 B14R1.679 CC(=O)C(C)SCc1ccc(cc1)Cl 62a_100000187161_100009814033 [0,1,0,0,1,0|2,0,0]=4 1825 B14R1.679 CC(=O)C(C)SCc1ccc(cc1)Cl 62a_100009814033_100000187161 [0,1,0,0,1,0|2,0,0]=4 1826 B14R1.679 CC(=O)C(C)SCc1ccc(cc1)F 62a_100000198546_100009814033 [0,1,0,0,1,0|2,0,0]=4 1827 B14R1.679 CC(=O)C(C)SCc1ccc(cc1)F 62a_100009814033_100000187164 [0,1,0,0,1,0|2,0,0]=4 1828 B14R1.679 CC(=O)C(C)SCc1ccc(cc1)I 62a_100000189116_100009814033 [0,1,0,0,1,0|2,0,0]=4 1829 B14R1.679 CC(=O)C(C)SCc1ccc(cc1)I 62a_100009814033_100000189116 [0,1,0,0,1,0|2,0,0]=4 1830 B14R1.679 CC(SCc1ccc(cc1)Br)C(=O)N 62a_100000189115_100000702099 [0,1,0,0,1,0|2,0,0]=4 1831 B14R1.679 CC(SCc1ccc(cc1)Br)C(=O)N 62a_100000702099_100000189115 [0,1,0,0,1,0|2,0,0]=4 1832 B14R1.679 CC(SCc1ccc(cc1)Cl)C(=O)N 62a_100000187161_100000702099 [0,1,0,0,1,0|2,0,0]=4 1833 B14R1.679 CC(SCc1ccc(cc1)Cl)C(=O)N 62a_100000702099_100000187161 [0,1,0,0,1,0|2,0,0]=4 1834 B14R1.679 CC(SCc1ccc(cc1)Cl)C(=O)[13CH3] 1458a_200000149568_200025704644 [0,1,0,0,1,0|2,0,0]=4 1835 B14R1.679 CC(SCc1ccc(cc1)F)C(=O)N 62a_100000198546_100000702099 [0,1,0,0,1,0|2,0,0]=4 1836 B14R1.679 CC(SCc1ccc(cc1)F)C(=O)N 62a_100000702099_100000187164 [0,1,0,0,1,0|2,0,0]=4 1837 B14R1.679 CC(SCc1ccc(cc1)I)C(=O)N 62a_100000189116_100000702099 [0,1,0,0,1,0|2,0,0]=4 1838 B14R1.679 CC(SCc1ccc(cc1)I)C(=O)N 62a_100000702099_100000189116 [0,1,0,0,1,0|2,0,0]=4 1839 B14R1.679 C[C@H](NCc1ccc(cc1)Br)C(=O)O 269956a_100000743915_100011217064 [0,1,0,0,1,0|2,0,0]=4 1840 B14R1.679 C[C@H](NCc1ccc(cc1)Cl)C(=O)O 269956a_100000743915_100000187161 [0,1,0,0,1,0|2,0,0]=4 1841 B14R1.679 C[C@H](NCc1ccc(cc1)F)C(=O)O 269956a_100000743915_100000198546 [0,1,0,0,1,0|2,0,0]=4 1842 B14R1.679 C[C@H](NCc1ccc(cc1)I)C(=O)O 269956a_100000743915_100000189116 [0,1,0,0,1,0|2,0,0]=4 1843 B14R1.679 Cc1ccc(cc1)CN[C@@H](C)C(=O)O 269956a_100000743915_100000210814 [0,1,0,0,1,0|2,0,0]=4 1844 B14R1.679 Cc1ccc(cc1)CSC(C)C(=O)N 62a_100000210814_100000702099 [0,1,0,0,1,0|2,0,0]=4 1845 B14R1.679 Cc1ccc(cc1)CSC(C)C(=O)N 62a_100000702099_100000210814 [0,1,0,0,1,0|2,0,0]=4 1846 B14R1.679 Cc1ccc(cc1)CSC(F)C(=O)N 62a_100000210814_100009813875 [0,1,0,0,1,0|2,0,0]=4 1847 B14R1.679 Cc1ccc(cc1)CSC(F)C(=O)N 62a_100009813875_100000210814 [0,1,0,0,1,0|2,0,0]=4 1848 B14R1.679 Cc1ccc(cc1)CSC(F)C(=O)[O-] 62a_100000210814_100020610796 [0,1,0,0,1,0|1,0,1]=4 1849 B14R1.679 Cc1ccc(cc1)CSC(F)C(=O)[O-] 62a_100020610796_100000210814 [0,1,0,0,1,0|1,0,1]=4 1850 B14R1.679 NC(=O)C(F)SCc1ccc(cc1)Br 62a_100000189115_100009813875 [0,1,0,0,1,0|2,0,0]=4 1851 B14R1.679 NC(=O)C(F)SCc1ccc(cc1)Br 62a_100009813875_100000189115 [0,1,0,0,1,0|2,0,0]=4 1852 B14R1.679 NC(=O)C(F)SCc1ccc(cc1)Cl 62a_100000187161_100009813875 [0,1,0,0,1,0|2,0,0]=4 1853 B14R1.679 NC(=O)C(F)SCc1ccc(cc1)Cl 62a_100009813875_100000187161 [0,1,0,0,1,0|2,0,0]=4 1854 B14R1.679 NC(=O)C(F)SCc1ccc(cc1)F 62a_100000198546_100009813875 [0,1,0,0,1,0|2,0,0]=4 1855 B14R1.679 NC(=O)C(F)SCc1ccc(cc1)F 62a_100009813875_100000187164 [0,1,0,0,1,0|2,0,0]=4 1856 B14R1.679 NC(=O)C(F)SCc1ccc(cc1)I 62a_100000189116_100009813875 [0,1,0,0,1,0|2,0,0]=4 1857 B14R1.679 NC(=O)C(F)SCc1ccc(cc1)I 62a_100009813875_100000189116 [0,1,0,0,1,0|2,0,0]=4 1858 B14R1.679 O=C([O-])C(F)SCc1ccc(cc1)Br 62a_100000189115_100020610796 [0,1,0,0,1,0|1,0,1]=4 1859 B14R1.679 O=C([O-])C(F)SCc1ccc(cc1)Br 62a_100020610796_100000189115 [0,1,0,0,1,0|1,0,1]=4 1860 B14R1.679 O=C([O-])C(F)SCc1ccc(cc1)Cl 62a_100000187161_100020610796 [0,1,0,0,1,0|1,0,1]=4 1861 B14R1.679 O=C([O-])C(F)SCc1ccc(cc1)Cl 62a_100020610796_100000187161 [0,1,0,0,1,0|1,0,1]=4 1862 B14R1.679 O=C([O-])C(F)SCc1ccc(cc1)F 62a_100000198546_100020610796 [0,1,0,0,1,0|1,0,1]=4 1863 B14R1.679 O=C([O-])C(F)SCc1ccc(cc1)F 62a_100020610796_100000187164 [0,1,0,0,1,0|1,0,1]=4 1864 B14R1.679 O=C([O-])C(F)SCc1ccc(cc1)I 62a_100000189116_100020610796 [0,1,0,0,1,0|1,0,1]=4 1865 B14R1.679 O=C([O-])C(F)SCc1ccc(cc1)I 62a_100020610796_100000189116 [0,1,0,0,1,0|1,0,1]=4 1866 B14R1.4194 C=C[C@H](NCc1ccccc1)C(=O)O 269956a_100016992060_100015291786 [0,1,0,0,1,0|2,0,0]=4 1867 B14R1.4194 CCC(SCc1ccccc1)C(=O)N 62a_100000211182_100000750255 [0,1,0,0,1,0|2,0,0]=4 1868 B14R1.4194 CCC(SCc1ccccc1)C(=O)N 62a_100000750255_100015291786 [0,1,0,0,1,0|2,0,0]=4 1869 B14R1.4194 CC[C@@H](NCc1ccccc1)C(=O)O 269956a_100000747097_100015291786 [0,1,0,0,1,0|2,0,0]=4 1870 B14R1.4194 CNC(CCc1ccccc1)C(=O)O 269956a_100000701298_200000210301 [0,1,0,0,1,0|0,0,0]=2 1871 B14R1.4194 O=C(O)C(CO)NCc1ccccc1 269956a_100000187304_100015291786 [0,1,0,0,1,0|2,0,0]=4 1872 B14R1.4194 [13CH3]NC(CCc1ccccc1)C(=O)O 269956a_100000701298_200025704644 [0,1,0,0,1,0|0,0,0]=2 1873 B14R1.5956 CC(=O)C(C)SCc1cccc(c1)Br 62a_100000211773_100009814033 [0,1,0,0,1,0|2,0,0]=4 1874 B14R1.5956 CC(=O)C(C)SCc1cccc(c1)Br 62a_100009814033_100000211773 [0,1,0,0,1,0|2,0,0]=4 1875 B14R1.5956 CC(=O)C(C)SCc1cccc(c1)C 62a_100000211840_100009814033 [0,1,0,0,1,0|2,0,0]=4 1876 B14R1.5956 CC(=O)C(C)SCc1cccc(c1)C 62a_100009814033_100000211840 [0,1,0,0,1,0|2,0,0]=4 1877 B14R1.5956 CC(=O)C(C)SCc1cccc(c1)Cl 62a_100000187163_100009814033 [0,1,0,0,1,0|2,0,0]=4 1878 B14R1.5956 CC(=O)C(C)SCc1cccc(c1)Cl 62a_100009814033_100000187163 [0,1,0,0,1,0|2,0,0]=4 1879 B14R1.5956 CC(=O)C(C)SCc1cccc(c1)F 62a_100000230114_100009814033 [0,1,0,0,1,0|2,0,0]=4 1880 B14R1.5956 CC(=O)C(C)SCc1cccc(c1)F 62a_100009814033_100000230114 [0,1,0,0,1,0|2,0,0]=4 1881 B14R1.5956 CC(=O)C(C)SCc1cccc(c1)I 62a_100009814033_100011218688 [0,1,0,0,1,0|2,0,0]=4 1882 B14R1.5956 CC(=O)C(C)SCc1cccc(c1)I 62a_100011218688_100009814033 [0,1,0,0,1,0|2,0,0]=4 1883 B14R1.5956 CC(=O)C(C)SCc1cccc(c1)O 62a_100009814033_100011660834 [0,1,0,0,1,0|2,0,0]=4 1884 B14R1.5956 CC(=O)C(C)SCc1cccc(c1)O 62a_100011660834_100009814033 [0,1,0,0,1,0|2,0,0]=4 1885 B14R1.5956 CC(SCc1cccc(c1)Br)C(=O)N 62a_100000211773_100000702099 [0,1,0,0,1,0|2,0,0]=4 1886 B14R1.5956 CC(SCc1cccc(c1)Br)C(=O)N 62a_100000702099_100000211773 [0,1,0,0,1,0|2,0,0]=4 1887 B14R1.5956 CC(SCc1cccc(c1)Cl)C(=O)N 62a_100000187163_100000702099 [0,1,0,0,1,0|2,0,0]=4 1888 B14R1.5956 CC(SCc1cccc(c1)Cl)C(=O)N 62a_100000702099_100000187163 [0,1,0,0,1,0|2,0,0]=4 1889 B14R1.5956 CC(SCc1cccc(c1)F)C(=O)N 62a_100000230114_100000702099 [0,1,0,0,1,0|2,0,0]=4 1890 B14R1.5956 CC(SCc1cccc(c1)F)C(=O)N 62a_100000702099_100000230114 [0,1,0,0,1,0|2,0,0]=4 1891 B14R1.5956 CC(SCc1cccc(c1)I)C(=O)N 62a_100000702099_100011218688 [0,1,0,0,1,0|2,0,0]=4 1892 B14R1.5956 CC(SCc1cccc(c1)I)C(=O)N 62a_100011218688_100000702099 [0,1,0,0,1,0|2,0,0]=4 1893 B14R1.5956 CC(SCc1cccc(c1)O)C(=O)N 62a_100000702099_100011660834 [0,1,0,0,1,0|2,0,0]=4 1894 B14R1.5956 CC(SCc1cccc(c1)O)C(=O)N 62a_100011660834_100000702099 [0,1,0,0,1,0|2,0,0]=4 1895 B14R1.5956 C[C@H](NCc1cccc(c1)Br)C(=O)O 269956a_100000743915_100000211773 [0,1,0,0,1,0|2,0,0]=4 1896 B14R1.5956 C[C@H](NCc1cccc(c1)Cl)C(=O)O 269956a_100000743915_100000187163 [0,1,0,0,1,0|2,0,0]=4 1897 B14R1.5956 C[C@H](NCc1cccc(c1)F)C(=O)O 269956a_100000743915_100000230114 [0,1,0,0,1,0|2,0,0]=4 1898 B14R1.5956 C[C@H](NCc1cccc(c1)I)C(=O)O 269956a_100000743915_100011218688 [0,1,0,0,1,0|2,0,0]=4 1899 B14R1.5956 C[C@H](NCc1cccc(c1)O)C(=O)O 269956a_100000743915_100011660834 [0,1,0,0,1,0|2,0,0]=4 1900 B14R1.5956 Cc1cccc(c1)CN[C@@H](C)C(=O)O 269956a_100000743915_100000005736 [0,1,0,0,1,0|2,0,0]=4 1901 B14R1.5956 Cc1cccc(c1)CSC(C)C(=O)N 62a_100000211840_100000702099 [0,1,0,0,1,0|2,0,0]=4 1902 B14R1.5956 Cc1cccc(c1)CSC(C)C(=O)N 62a_100000702099_100000211840 [0,1,0,0,1,0|2,0,0]=4 1903 B14R1.5956 Cc1cccc(c1)CSC(F)C(=O)N 62a_100000211840_100009813875 [0,1,0,0,1,0|2,0,0]=4 1904 B14R1.5956 Cc1cccc(c1)CSC(F)C(=O)N 62a_100009813875_100000211840 [0,1,0,0,1,0|2,0,0]=4 1905 B14R1.5956 Cc1cccc(c1)CSC(F)C(=O)[O-] 62a_100000211840_100020610796 [0,1,0,0,1,0|1,0,1]=4 1906 B14R1.5956 Cc1cccc(c1)CSC(F)C(=O)[O-] 62a_100020610796_100000211840 [0,1,0,0,1,0|1,0,1]=4 1907 B14R1.5956 NC(=O)C(F)SCc1cccc(c1)Br 62a_100000211773_100009813875 [0,1,0,0,1,0|2,0,0]=4 1908 B14R1.5956 NC(=O)C(F)SCc1cccc(c1)Br 62a_100009813875_100000211773 [0,1,0,0,1,0|2,0,0]=4 1909 B14R1.5956 NC(=O)C(F)SCc1cccc(c1)Cl 62a_100000187163_100009813875 [0,1,0,0,1,0|2,0,0]=4 1910 B14R1.5956 NC(=O)C(F)SCc1cccc(c1)Cl 62a_100009813875_100000187163 [0,1,0,0,1,0|2,0,0]=4 1911 B14R1.5956 NC(=O)C(F)SCc1cccc(c1)F 62a_100000230114_100009813875 [0,1,0,0,1,0|2,0,0]=4 1912 B14R1.5956 NC(=O)C(F)SCc1cccc(c1)F 62a_100009813875_100000230114 [0,1,0,0,1,0|2,0,0]=4 1913 B14R1.5956 NC(=O)C(F)SCc1cccc(c1)I 62a_100009813875_100011218688 [0,1,0,0,1,0|2,0,0]=4 1914 B14R1.5956 NC(=O)C(F)SCc1cccc(c1)I 62a_100011218688_100009813875 [0,1,0,0,1,0|2,0,0]=4 1915 B14R1.5956 NC(=O)C(F)SCc1cccc(c1)O 62a_100009813875_100011660834 [0,1,0,0,1,0|2,0,0]=4 1916 B14R1.5956 NC(=O)C(F)SCc1cccc(c1)O 62a_100011660834_100009813875 [0,1,0,0,1,0|2,0,0]=4 1917 B14R1.5956 O=C([O-])C(F)SCc1cccc(c1)Br 62a_100000211773_100020610796 [0,1,0,0,1,0|1,0,1]=4 1918 B14R1.5956 O=C([O-])C(F)SCc1cccc(c1)Br 62a_100020610796_100000211773 [0,1,0,0,1,0|1,0,1]=4 1919 B14R1.5956 O=C([O-])C(F)SCc1cccc(c1)Cl 62a_100000187163_100020610796 [0,1,0,0,1,0|1,0,1]=4 1920 B14R1.5956 O=C([O-])C(F)SCc1cccc(c1)Cl 62a_100020610796_100000187163 [0,1,0,0,1,0|1,0,1]=4 1921 B14R1.5956 O=C([O-])C(F)SCc1cccc(c1)F 62a_100000230114_100020610796 [0,1,0,0,1,0|1,0,1]=4 1922 B14R1.5956 O=C([O-])C(F)SCc1cccc(c1)F 62a_100020610796_100000230114 [0,1,0,0,1,0|1,0,1]=4 1923 B14R1.5956 O=C([O-])C(F)SCc1cccc(c1)I 62a_100011218688_100020610796 [0,1,0,0,1,0|1,0,1]=4 1924 B14R1.5956 O=C([O-])C(F)SCc1cccc(c1)I 62a_100020610796_100011218688 [0,1,0,0,1,0|1,0,1]=4 1925 B14R1.5956 O=C([O-])C(F)SCc1cccc(c1)O 62a_100011660834_100020610796 [0,1,0,0,1,0|1,0,1]=4 1926 B14R1.5956 O=C([O-])C(F)SCc1cccc(c1)O 62a_100020610796_100011660834 [0,1,0,0,1,0|1,0,1]=4 1927 B14R1.6395 CC(=O)C(C)(C)SCc1ccccc1 1458a_100011459008_200000210301 [0,1,0,0,1,0|2,0,0]=4 1928 B14R1.6395 CC(=O)C(C)(C)SCc1ccccc1 62a_100000075568_100015291786 [0,1,0,0,1,0|2,0,0]=4 1929 B14R1.6395 CC(=O)C(C)(C)SCc1ccccc1 62a_100000211182_100000075568 [0,1,0,0,1,0|2,0,0]=4 1930 B14R1.6395 CC(C)(CSc1ccccc1)C(=O)N 62a_100000719477_200009895572 [0,1,0,0,1,0|2,0,0]=4 1931 B14R1.6395 CC(C)(CSc1ccccc1)C(=O)N 62a_200009895572_100000041952 [0,1,0,0,1,0|2,0,0]=4 1932 B14R1.6395 CC(C)(SCc1ccccc1)C(=O)N 62a_100000211182_100000702505 [0,1,0,0,1,0|2,0,0]=4 1933 B14R1.6395 CC(C)(SCc1ccccc1)C(=O)N 62a_100000702505_100015291786 [0,1,0,0,1,0|2,0,0]=4 1934 B14R1.6395 CC(C)(SCc1ccccc1)C(=O)[13CH3] 1458a_100011459008_200025704644 [0,1,0,0,1,0|2,0,0]=4 1935 B14R1.6395 NC(=O)C(F)(F)SCc1ccccc1 62a_100000211182_100009811971 [0,1,0,0,1,0|2,0,0]=4 1936 B14R1.6395 NC(=O)C(F)(F)SCc1ccccc1 62a_100009811971_100015291786 [0,1,0,0,1,0|2,0,0]=4 1937 B14R1.6395 O=C([O-])C(F)(F)SCc1ccccc1 62a_100000211182_100000745680 [0,1,0,0,1,0|1,0,1]=4 1938 B14R1.6395 O=C([O-])C(F)(F)SCc1ccccc1 62a_100000745680_100015291786 [0,1,0,0,1,0|1,0,1]=4 1939 B14R1.986 COC(=O)C(C)CSCc1ccsc1 62a_100000698445_100011233845 [0,1,0,0,1,0|2,0,0]=4 1940 B14R1.986 COC(=O)C(C)CSCc1ccsc1 62a_100011261437_100000698445 [0,1,0,0,1,0|2,0,0]=4 1941 B14R1.986 COC(=O)[C@H](N)COCc1ccsc1 34a_100000003586_100011261437 [0,1,0,0,1,0|1,1,0]=4 1942 B16R1.401 CC(CNCCc1ccccc1Br)C(=O)O 269956a_100000749485_100012161201 [0,1,0,0,0,1|2,0,0]=4 1943 B16R1.401 CC(CNCCc1ccccc1Cl)C(=O)O 269956a_100000749485_100011713703 [0,1,0,0,0,1|2,0,0]=4 1944 B16R1.401 CC(CNCCc1ccccc1F)C(=O)O 269956a_100000749485_100011713696 [0,1,0,0,0,1|2,0,0]=4 1945 B16R1.401 CC(CNCCc1ccccc1O)C(=O)O 269956a_100000749485_100000722297 [0,1,0,0,0,1|2,0,0]=4 1946 B16R1.401 C[C@H](NCCCc1ccccc1Br)C(=O)O 269956a_100000743915_200011713681 [0,1,0,0,0,1|2,0,0]=4 1947 B16R1.401 Cc1ccccc1CCNCC(C)C(=O)O 269956a_100000749485_100011713688 [0,1,0,0,0,1|2,0,0]=4 1948 B16R1.401 Cc1ccccc1CCNCC(F)C(=O)O 269956a_100000084737_100011713688 [0,1,0,0,0,1|2,0,0]=4 1949 B16R1.401 Cc1ccccc1CCOC[C@H](N)C(=O)N 34a_100000729942_100011713688 [0,1,0,0,0,1|1,1,0]=4 1950 B16R1.401 NC(=O)[C@@H](N)COCCc1ccccc1Br 34a_100000729942_100012161201 [0,1,0,0,0,1|1,1,0]=4 1951 B16R1.401 NC(=O)[C@@H](N)COCCc1ccccc1Cl 34a_100000729942_100011713703 [0,1,0,0,0,1|1,1,0]=4 1952 B16R1.401 NC(=O)[C@@H](N)COCCc1ccccc1F 34a_100000729942_100000720011 [0,1,0,0,0,1|1,1,0]=4 1953 B16R1.401 NC(=O)[C@@H](N)COCCc1ccccc1O 34a_100000729942_100000722297 [0,1,0,0,0,1|1,1,0]=4 1954 B16R1.401 O=C(O)C(F)CNCCc1ccccc1Br 269956a_100000084737_100012161201 [0,1,0,0,0,1|2,0,0]=4 1955 B16R1.401 O=C(O)C(F)CNCCc1ccccc1Cl 269956a_100000084737_100011713703 [0,1,0,0,0,1|2,0,0]=4 1956 B16R1.401 O=C(O)C(F)CNCCc1ccccc1F 269956a_100000084737_100011713696 [0,1,0,0,0,1|2,0,0]=4 1957 B16R1.401 O=C(O)C(F)CNCCc1ccccc1O 269956a_100000084737_100000722297 [0,1,0,0,0,1|2,0,0]=4 1958 B16R1.1062 CC(CNCCc1ccc(cc1)Br)C(=O)O 269956a_100000749485_100011740612 [0,1,0,0,0,1|2,0,0]=4 1959 B16R1.1062 CC(CNCCc1ccc(cc1)Cl)C(=O)O 269956a_100000749485_100011713675 [0,1,0,0,0,1|2,0,0]=4 1960 B16R1.1062 CC(CNCCc1ccc(cc1)F)C(=O)O 269956a_100000749485_100011217392 [0,1,0,0,0,1|2,0,0]=4 1961 B16R1.1062 CC(CNCCc1ccc(cc1)O)C(=O)O 269956a_100000749485_100009816426 [0,1,0,0,0,1|2,0,0]=4 1962 B16R1.1062 C[C@H](NCCCc1ccc(cc1)Br)C(=O)O 269956a_100000743915_100011713682 [0,1,0,0,0,1|2,0,0]=4 1963 B16R1.1062 C[C@H](NCCCc1ccc(cc1)Cl)C(=O)O 269956a_100000743915_100000759440 [0,1,0,0,0,1|2,0,0]=4 1964 B16R1.1062 C[C@H](NCCCc1ccc(cc1)F)C(=O)O 269956a_100000743915_200011713563 [0,1,0,0,0,1|2,0,0]=4 1965 B16R1.1062 Cc1ccc(cc1)CCNCC(C)C(=O)O 269956a_100000749485_100011713686 [0,1,0,0,0,1|2,0,0]=4 1966 B16R1.1062 Cc1ccc(cc1)CCNCC(F)C(=O)O 269956a_100000084737_100011713686 [0,1,0,0,0,1|2,0,0]=4 1967 B16R1.1062 Cc1ccc(cc1)CCOC[C@H](N)C(=O)N 34a_100000729942_100011713686 [0,1,0,0,0,1|1,1,0]=4 1968 B16R1.1062 NC(=O)[C@@H](N)COCCc1ccc(cc1)Br 34a_100000729942_100011740612 [0,1,0,0,0,1|1,1,0]=4 1969 B16R1.1062 NC(=O)[C@@H](N)COCCc1ccc(cc1)Cl 34a_100000729942_100011713675 [0,1,0,0,0,1|1,1,0]=4 1970 B16R1.1062 NC(=O)[C@@H](N)COCCc1ccc(cc1)F 34a_100000729942_100011217392 [0,1,0,0,0,1|1,1,0]=4 1971 B16R1.1062 O=C(O)C(F)CNCCc1ccc(cc1)Br 269956a_100000084737_100011740612 [0,1,0,0,0,1|2,0,0]=4 1972 B16R1.1062 O=C(O)C(F)CNCCc1ccc(cc1)Cl 269956a_100000084737_100011713675 [0,1,0,0,0,1|2,0,0]=4 1973 B16R1.1062 O=C(O)C(F)CNCCc1ccc(cc1)F 269956a_100000084737_100011217392 [0,1,0,0,0,1|2,0,0]=4 1974 B16R1.1062 O=C(O)C(F)CNCCc1ccc(cc1)O 269956a_100000084737_100009816426 [0,1,0,0,0,1|2,0,0]=4 1975 B16R1.1635 C=C(CSCCc1ccccc1)C(=O)OC 62a_100000765856_100009813391 [0,1,0,0,0,1|1,0,1]=4 1976 B16R1.1635 C=C(CSCCc1ccccc1)C(=O)OC 62a_100009813391_100011218657 [0,1,0,0,0,1|1,0,1]=4 1977 B16R1.1635 C=C(CSCSc1ccccc1)C(=O)OC 62a_100009813391_100011218342 [0,1,0,0,0,1|1,0,1]=4 1978 B16R1.1635 C=C(CSCSc1ccccc1)C(=O)OC 62a_100011218342_100009813391 [0,1,0,0,0,1|1,0,1]=4 1979 B16R1.1635 CC(OCSCc1ccccc1)C(=O)NN 34a_100000725659_200011217039 [0,1,0,0,0,1|2,0,0]=4 1980 B16R1.1635 CCC(=O)C(C)SCSCc1ccccc1 62a_100000742827_200011217039 [0,1,0,0,0,1|2,0,0]=4 1981 B16R1.1635 CCC(=O)C(C)SCSCc1ccccc1 62a_200011217039_100000742827 [0,1,0,0,0,1|2,0,0]=4 1982 B16R1.1635 CNC(=O)C(C)SCSCc1ccccc1 62a_100000209862_200011217039 [0,1,0,0,0,1|2,0,0]=4 1983 B16R1.1635 CNC(=O)C(C)SCSCc1ccccc1 62a_200011217039_100000731044 [0,1,0,0,0,1|2,0,0]=4 1984 B16R1.1635 CNC(=O)C(F)SCSCc1ccccc1 62a_100009813575_200011217039 [0,1,0,0,0,1|2,0,0]=4 1985 B16R1.1635 CNC(=O)C(F)SCSCc1ccccc1 62a_200011217039_100009813575 [0,1,0,0,0,1|2,0,0]=4 1986 B16R1.1635 CNC(=O)[C@@H](C)NCSCc1ccccc1 2230a_100000684985_200011217039 [0,1,0,0,0,1|2,0,0]=4 1987 B16R1.1635 CNC(=O)[C@@H](C)NCSCc1ccccc1 34a_100000684985_200011217039 [0,1,0,0,0,1|2,0,0]=4 1988 B16R1.1635 COC(=O)C(=O)CSCCc1ccccc1 62a_100000765856_100011610305 [0,1,0,0,0,1|1,0,1]=4 1989 B16R1.1635 COC(=O)C(=O)CSCCc1ccccc1 62a_100011610305_100011218657 [0,1,0,0,0,1|1,0,1]=4 1990 B16R1.1635 COC(=O)C(=O)CSCSc1ccccc1 62a_100011218342_100011610305 [0,1,0,0,0,1|1,0,1]=4 1991 B16R1.1635 COC(=O)C(=O)CSCSc1ccccc1 62a_100011610305_100011218342 [0,1,0,0,0,1|1,0,1]=4 1992 B16R1.1635 COC(=O)C(C)CCNCc1ccccc1 2230a_100015324214_100000034942 [0,1,0,0,0,1|2,0,0]=4 1993 B16R1.1635 COC(=O)C(C)CCNCc1ccccc1 34a_100015324214_100000034942 [0,1,0,0,0,1|2,0,0]=4 1994 B16R1.1635 COC(=O)C(C)CCOCc1ccccc1 34a_100000210790_100000034942 [0,1,0,0,0,1|1,1,0]=4 1995 B16R1.1635 COC(=O)C(C)CCOCc1ccccc1 7a_100000210790_100000034942 [0,1,0,0,0,1|1,1,0]=4 1996 B16R1.1635 COC(=O)C(C)CCSCc1ccccc1 62a_100000034942_100015291786 [0,1,0,0,0,1|1,0,0]=3 1997 B16R1.1635 COC(=O)C(C)CCSCc1ccccc1 62a_100000211182_100000034942 [0,1,0,0,0,1|1,0,0]=3 1998 B16R1.1635 COC(=O)C(C)CCSCc1ccccn1 62a_100000034942_100000721315 [0,1,0,0,0,1|2,0,0]=4 1999 B16R1.1635 COC(=O)C(C)CCSCc1ccccn1 62a_100000721315_100000034942 [0,1,0,0,0,1|2,0,0]=4 2000 B16R1.1635 COC(=O)C(C)CCSCc1cccnc1 62a_100000034942_100000741622 [0,1,0,0,0,1|2,0,0]=4 2001 B16R1.1635 COC(=O)C(C)CCSCc1cccnc1 62a_100000741622_100000034942 [0,1,0,0,0,1|2,0,0]=4 2002 B16R1.1635 COC(=O)C(C)CCSCc1ccncc1 62a_100000034942_100015193705 [0,1,0,0,0,1|2,0,0]=4 2003 B16R1.1635 COC(=O)C(C)CCSCc1ccncc1 62a_100015193705_100000034942 [0,1,0,0,0,1|2,0,0]=4 2004 B16R1.1635 COC(=O)C(C)CNCCc1ccccc1 34a_100000106460_100000698445 [0,1,0,0,0,1|2,0,0]=4 2005 B16R1.1635 COC(=O)C(C)COCCc1ccccc1 34a_100000210268_100000698445 [0,1,0,0,0,1|1,1,0]=4 2006 B16R1.1635 COC(=O)C(C)COCCc1ccccc1 34a_100000749362_100000765856 [0,1,0,0,0,1|1,1,0]=4 2007 B16R1.1635 COC(=O)C(C)COCCc1ccccc1 7a_100000749362_100000765856 [0,1,0,0,0,1|1,1,0]=4 2008 B16R1.1635 COC(=O)C(C)CSCCc1ccccc1 62a_100000698445_100011218657 [0,1,0,0,0,1|1,0,0]=3 2009 B16R1.1635 COC(=O)C(C)CSCCc1ccccc1 62a_100000765856_100000698445 [0,1,0,0,0,1|1,0,0]=3 2010 B16R1.1635 COC(=O)C(C)CSCCc1ccccn1 62a_100000698445_100015183660 [0,1,0,0,0,1|2,0,0]=4 2011 B16R1.1635 COC(=O)C(C)CSCCc1ccccn1 62a_100015183660_100000698445 [0,1,0,0,0,1|2,0,0]=4 2012 B16R1.1635 COC(=O)C(C)CSCCc1cccnc1 62a_100000698445_200011713674 [0,1,0,0,0,1|2,0,0]=4 2013 B16R1.1635 COC(=O)C(C)CSCCc1cccnc1 62a_200011713674_100000698445 [0,1,0,0,0,1|2,0,0]=4 2014 B16R1.1635 COC(=O)C(C)CSCCc1ccncc1 62a_100000698445_100000723409 [0,1,0,0,0,1|2,0,0]=4 2015 B16R1.1635 COC(=O)C(C)CSCCc1ccncc1 62a_100000723409_100000698445 [0,1,0,0,0,1|2,0,0]=4 2016 B16R1.1635 COC(=O)C(C)CSCSc1ccccc1 62a_100000698445_100011218342 [0,1,0,0,0,1|1,0,0]=3 2017 B16R1.1635 COC(=O)C(C)CSCSc1ccccc1 62a_100011218342_100000698445 [0,1,0,0,0,1|1,0,0]=3 2018 B16R1.1635 COC(=O)C(C)NCCCc1ccccc1 2230a_100000211184_100000211248 [0,1,0,0,0,1|2,0,0]=4 2019 B16R1.1635 COC(=O)C(C)NCCCc1ccccc1 34a_100000211184_100000211248 [0,1,0,0,0,1|2,0,0]=4 2020 B16R1.1635 COC(=O)C(C)OCCCc1ccccc1 34a_100000210828_100000211248 [0,1,0,0,0,1|2,0,0]=4 2021 B16R1.1635 COC(=O)C(C)OCCCc1ccccc1 34a_100011215400_100000211621 [0,1,0,0,0,1|2,0,0]=4 2022 B16R1.1635 COC(=O)C(C)OCCCc1ccccc1 7a_100000210828_100000211248 [0,1,0,0,0,1|2,0,0]=4 2023 B16R1.1635 COC(=O)C(C)OCOCc1ccccc1 34a_100011215400_100000763385 [0,1,0,0,0,1|1,1,0]=4 2024 B16R1.1635 COC(=O)C(C)OCSCc1ccccc1 34a_100011215400_200011217039 [0,1,0,0,0,1|1,0,0]=3 2025 B16R1.1635 COC(=O)C(C)SCCCc1ccccc1 62a_100000211248_100000211621 [0,1,0,0,0,1|2,0,0]=4 2026 B16R1.1635 COC(=O)C(C)SCCCc1ccccc1 62a_100000211621_100000211248 [0,1,0,0,0,1|2,0,0]=4 2027 B16R1.1635 COC(=O)C(C)SCOCc1ccccc1 62a_100000211248_100000763385 [0,1,0,0,0,1|1,1,0]=4 2028 B16R1.1635 COC(=O)C(C)SCOCc1ccccc1 62a_100000763385_100000211248 [0,1,0,0,0,1|1,1,0]=4 2029 B16R1.1635 COC(=O)C(C)SCSCc1ccccc1 62a_100000211248_200011217039 [0,1,0,0,0,1|1,0,0]=3 2030 B16R1.1635 COC(=O)C(C)SCSCc1ccccc1 62a_200011217039_100000211248 [0,1,0,0,0,1|1,0,0]=3 2031 B16R1.1635 COC(=O)C(F)COCCc1ccccc1 34a_200009849844_100000765856 [0,1,0,0,0,1|1,1,0]=4 2032 B16R1.1635 COC(=O)[C@H](N)COCCc1ccccc1 34a_100000003586_100000765856 [0,1,0,0,0,1|0,1,0]=3 2033 B16R1.1635 NNC(=O)C(N)COCCc1ccccc1 34a_100016989258_100000765856 [0,1,0,0,0,1|1,1,0]=4 2034 B16R1.3018 C=C[C@H](NCCCc1ccccc1)C(=O)O 269956a_100016992060_100000211621 [0,1,0,0,0,1|2,0,0]=4 2035 B16R1.3018 C=C[C@H](NCOCc1ccccc1)C(=O)O 269956a_100016992060_100000763385 [0,1,0,0,0,1|1,1,0]=4 2036 B16R1.3018 C=C[C@H](NCSCc1ccccc1)C(=O)O 269956a_100016992060_200011217039 [0,1,0,0,0,1|1,0,0]=3 2037 B16R1.3018 CCC(NCSCc1ccccc1)C(=O)N 2230a_100000733705_200011217039 [0,1,0,0,0,1|2,0,0]=4 2038 B16R1.3018 CCC(NCSCc1ccccc1)C(=O)N 34a_100000733705_200011217039 [0,1,0,0,0,1|2,0,0]=4 2039 B16R1.3018 CCC(SCSCc1ccccc1)C(=O)N 62a_100000750255_200011217039 [0,1,0,0,0,1|2,0,0]=4 2040 B16R1.3018 CCC(SCSCc1ccccc1)C(=O)N 62a_200011217039_100000750255 [0,1,0,0,0,1|2,0,0]=4 2041 B16R1.3018 CC[C@@H](NCCCc1ccccc1)C(=O)O 269956a_100000747097_100000211621 [0,1,0,0,0,1|2,0,0]=4 2042 B16R1.3018 CC[C@@H](NCOCc1ccccc1)C(=O)O 269956a_100000747097_100000763385 [0,1,0,0,0,1|1,1,0]=4 2043 B16R1.3018 CC[C@@H](NCSCc1ccccc1)C(=O)O 269956a_100000747097_200011217039 [0,1,0,0,0,1|1,0,0]=3 2044 B16R1.3018 N#CC(NCSCc1ccccc1)C(=O)N 2230a_100000039599_200011217039 [0,1,0,0,0,1|1,0,1]=4 2045 B16R1.3018 NC(=O)[C@H](CO)NCSCc1ccccc1 2230a_100000729942_200011217039 [0,1,0,0,0,1|2,0,0]=4 2046 B16R1.3018 NC(=O)[C@H](CO)NCSCc1ccccc1 34a_100000729942_200011217039 [0,1,0,0,0,1|2,0,0]=4 2047 B16R1.3018 O=C(O)C(CO)NCCCc1ccccc1 269956a_100000187304_100000211621 [0,1,0,0,0,1|2,0,0]=4 2048 B16R1.3018 O=C(O)C(CO)NCOCc1ccccc1 269956a_100000187304_100000763385 [0,1,0,0,0,1|1,1,0]=4 2049 B16R1.3018 O=C(O)C(CO)NCSCc1ccccc1 269956a_100000187304_200011217039 [0,1,0,0,0,1|1,0,0]=3 2050 B16R1.4129 CC(CNCC(=O)c1ccccc1)C(=O)O 269956a_100000749485_100000211460 [0,1,0,0,0,1|2,0,0]=4 2051 B16R1.4129 CC(CNCC(C)c1ccccc1)C(=O)O 269956a_100000749485_100000756946 [0,1,0,0,0,1|2,0,0]=4 2052 B16R1.4129 CC(CNCC(F)C(=O)O)c1ccccc1 269956a_100000084737_100000756946 [0,1,0,0,0,1|2,0,0]=4 2053 B16R1.4129 CC(CNCC(O)c1ccccc1)C(=O)O 269956a_100000749485_100000185958 [0,1,0,0,0,1|2,0,0]=4 2054 B16R1.4129 CC(CNCS(=O)c1ccccc1)C(=O)O 269956a_100000749485_100000031784 [0,1,0,0,0,1|2,0,0]=4 2055 B16R1.4129 CC(CNC[C@@H](O)c1ccccc1)C(=O)O 269956a_100000749485_100011933945 [0,1,0,0,0,1|2,0,0]=4 2056 B16R1.4129 CC(COC[C@H](N)C(=O)N)c1ccccc1 34a_100000729942_100000756946 [0,1,0,0,0,1|1,1,0]=4 2057 B16R1.4129 C[C@H](NCC[C@@H](O)c1ccccc1)C(=O)O 269956a_100000743915_100000729684 [0,1,0,0,0,1|2,0,0]=4 2058 B16R1.4129 NC(=O)[C@@H](N)COCC(O)c1ccccc1 34a_100000729942_100000185958 [0,1,0,0,0,1|1,1,0]=4 2059 B16R1.4129 NC(=O)[C@@H](N)COC[C@@H](O)c1ccccc1 34a_100000729942_100011933945 [0,1,0,0,0,1|1,1,0]=4 2060 B16R1.4129 O=C(CNCC(F)C(=O)O)c1ccccc1 269956a_100000084737_100000211460 [0,1,0,0,0,1|2,0,0]=4 2061 B16R1.4129 O=C(O)C(F)CNCC(O)c1ccccc1 269956a_100000084737_100000185958 [0,1,0,0,0,1|2,0,0]=4 2062 B16R1.4129 O=C(O)C(F)CNCS(=O)c1ccccc1 269956a_100000084737_100000031784 [0,1,0,0,0,1|2,0,0]=4 2063 B16R1.4129 O=C(O)C(F)CNC[C@@H](O)c1ccccc1 269956a_100000084737_100011933945 [0,1,0,0,0,1|2,0,0]=4 2064 B16R1.4132 CC(Cc1ccccc1)NCC(C)C(=O)O 269956a_100000749485_200011218536 [0,1,0,0,0,1|2,0,0]=4 2065 B16R1.4132 CC(Cc1ccccc1)NCC(F)C(=O)O 269956a_100000084737_200011218536 [0,1,0,0,0,1|2,0,0]=4 2066 B16R1.4132 CC(Cc1ccccc1)OC[C@H](N)C(=O)N 34a_100000729942_200011218536 [0,1,0,0,0,1|1,1,0]=4 2067 B16R1.4132 C[C@H](NCC(=O)Cc1ccccc1)C(=O)O 269956a_100000743915_100000233483 [0,1,0,0,0,1|2,0,0]=4 2068 B16R1.4132 C[C@H](NC[C@@H](O)Cc1ccccc1)C(=O)O 269956a_100000743915_100000729385 [0,1,0,0,0,1|2,0,0]=4 2069 B16R1.7323 CC(=O)C(C)C(=O)CSCc1ccccc1 1458a_100000150264_100000179758 [0,1,0,0,0,1|2,0,0]=4 2070 B16R1.7323 CC(C(=O)N)C(=O)CSCc1ccccc1 1458a_100000150264_100000702099 [0,1,0,0,0,1|2,0,0]=4 2071 B16R1.7323 CC(C(=O)O)N(C)CCCc1ccccc1 269956a_100000749554_100000211621 [0,1,0,0,0,1|2,0,0]=4 2072 B16R1.7323 CC(C(=O)O)N(C)COCc1ccccc1 269956a_100000749554_100000763385 [0,1,0,0,0,1|1,1,0]=4 2073 B16R1.7323 CC(C(=O)O)N(C)CSCc1ccccc1 269956a_100000749554_200011217039 [0,1,0,0,0,1|1,0,0]=3 2074 B16R1.7323 C[C@@H](OCCc1ccccc1)[C@H](N)C(=O)N 34a_100000003557_100000765856 [0,1,0,0,0,1|1,1,0]=4 2075 B16R1.7323 NC(=O)C(F)C(=O)CSCc1ccccc1 1458a_100000150264_100009813875 [0,1,0,0,0,1|2,0,0]=4 2076 B16R1.7323 O=C([O-])C(F)C(=O)CSCc1ccccc1 1458a_100000150264_100020610796 [0,1,0,0,0,1|1,0,1]=4 2077 B16R1.11228 CC(CNCCc1cccc(c1)Br)C(=O)O 269956a_100000749485_100011740638 [0,1,0,0,0,1|2,0,0]=4 2078 B16R1.11228 CC(CNCCc1cccc(c1)Cl)C(=O)O 269956a_100000749485_100011713710 [0,1,0,0,0,1|2,0,0]=4 2079 B16R1.11228 CC(CNCCc1cccc(c1)F)C(=O)O 269956a_100000749485_100011217235 [0,1,0,0,0,1|2,0,0]=4 2080 B16R1.11228 C[C@H](NCCCc1cccc(c1)Br)C(=O)O 269956a_100000743915_100011713683 [0,1,0,0,0,1|2,0,0]=4 2081 B16R1.11228 C[C@H](NCCCc1cccc(c1)F)C(=O)O 269956a_100000743915_200000698031 [0,1,0,0,0,1|2,0,0]=4 2082 B16R1.11228 Cc1cccc(c1)CCNCC(C)C(=O)O 269956a_100000749485_100011713685 [0,1,0,0,0,1|2,0,0]=4 2083 B16R1.11228 Cc1cccc(c1)CCNCC(F)C(=O)O 269956a_100000084737_100011713685 [0,1,0,0,0,1|2,0,0]=4 2084 B16R1.11228 Cc1cccc(c1)CCOC[C@H](N)C(=O)N 34a_100000729942_100011713685 [0,1,0,0,0,1|1,1,0]=4 2085 B16R1.11228 NC(=O)[C@@H](N)COCCc1cccc(c1)Br 34a_100000729942_100011740638 [0,1,0,0,0,1|1,1,0]=4 2086 B16R1.11228 NC(=O)[C@@H](N)COCCc1cccc(c1)Cl 34a_100000729942_100011713710 [0,1,0,0,0,1|1,1,0]=4 2087 B16R1.11228 NC(=O)[C@@H](N)COCCc1cccc(c1)F 34a_100000729942_100011217235 [0,1,0,0,0,1|1,1,0]=4 2088 B16R1.11228 O=C(O)C(F)CNCCc1cccc(c1)Br 269956a_100000084737_100011740638 [0,1,0,0,0,1|2,0,0]=4 2089 B16R1.11228 O=C(O)C(F)CNCCc1cccc(c1)Cl 269956a_100000084737_100011713710 [0,1,0,0,0,1|2,0,0]=4 2090 B16R1.11228 O=C(O)C(F)CNCCc1cccc(c1)F 269956a_100000084737_100011217235 [0,1,0,0,0,1|2,0,0]=4 2091 B16R1.12253 CC(=O)C(C)(C)OCSCc1ccccc1 34a_100000747739_200011217039 [0,1,0,0,0,1|2,0,0]=4 2092 B16R1.12253 CC(=O)C(C)(C)SCSCc1ccccc1 62a_100000075568_200011217039 [0,1,0,0,0,1|2,0,0]=4 2093 B16R1.12253 CC(=O)C(C)(C)SCSCc1ccccc1 62a_200011217039_100000075568 [0,1,0,0,0,1|2,0,0]=4 2094 B16R1.12253 CC(C)(CNCCc1ccccc1)C(=O)O 269956a_100000693527_100000765856 [0,1,0,0,0,1|2,0,0]=4 2095 B16R1.12253 CC(C)(CNCSc1ccccc1)C(=O)O 269956a_100000693527_100011218342 [0,1,0,0,0,1|2,0,0]=4 2096 B16R1.12253 CC(C)(CSCCc1ccccc1)C(=O)N 62a_100000765856_200009895572 [0,1,0,0,0,1|2,0,0]=4 2097 B16R1.12253 CC(C)(CSCCc1ccccc1)C(=O)N 62a_200009895572_100011218657 [0,1,0,0,0,1|2,0,0]=4 2098 B16R1.12253 CC(C)(CSCSc1ccccc1)C(=O)N 62a_100011218342_200009895572 [0,1,0,0,0,1|2,0,0]=4 2099 B16R1.12253 CC(C)(CSCSc1ccccc1)C(=O)N 62a_200009895572_100011218342 [0,1,0,0,0,1|2,0,0]=4 2100 B16R1.12253 CC(C)(NCSCc1ccccc1)C(=O)N 2230a_100000743658_200011217039 [0,1,0,0,0,1|2,0,0]=4 2101 B16R1.12253 CC(C)(NCSCc1ccccc1)C(=O)N 34a_100000743658_200011217039 [0,1,0,0,0,1|2,0,0]=4 2102 B16R1.12253 CC(C)(OCSCc1ccccc1)C(=O)N 34a_100011626353_200011217039 [0,1,0,0,0,1|2,0,0]=4 2103 B16R1.12253 CC(C)(SCSCc1ccccc1)C(=O)N 62a_100000702505_200011217039 [0,1,0,0,0,1|2,0,0]=4 2104 B16R1.12253 CC(C)(SCSCc1ccccc1)C(=O)N 62a_200011217039_100000702505 [0,1,0,0,0,1|2,0,0]=4 2105 B16R1.12253 NC(=O)C(F)(F)SCSCc1ccccc1 62a_100009811971_200011217039 [0,1,0,0,0,1|2,0,0]=4 2106 B16R1.12253 NC(=O)C(F)(F)SCSCc1ccccc1 62a_200011217039_100009811971 [0,1,0,0,0,1|2,0,0]=4 2107 B16R1.12253 O=C(O)C(F)(F)CNCCc1ccccc1 269956a_100000734215_100000765856 [0,1,0,0,0,1|2,0,0]=4 2108 B16R1.12253 O=C(O)C(F)(F)CNCSc1ccccc1 269956a_100000734215_100011218342 [0,1,0,0,0,1|2,0,0]=4 2109 B16R1.12253 O=C([O-])C(F)(F)SCSCc1ccccc1 62a_100000745680_200011217039 [0,1,0,0,0,1|1,0,1]=4 2110 B16R1.12253 O=C([O-])C(F)(F)SCSCc1ccccc1 62a_200011217039_100000745680 [0,1,0,0,0,1|1,0,1]=4 2111 B16R1.76 Cc1ccc(cc1)CNCC(O)CC(=O)O 269956a_100011218706_100000210814 [0,1,0,0,0,1|2,0,0]=4 2112 B16R1.76 O=C(O)CC(O)CNCc1ccc(cc1)Br 269956a_100011218706_100011217064 [0,1,0,0,0,1|2,0,0]=4 2113 B16R1.76 O=C(O)CC(O)CNCc1ccc(cc1)Cl 269956a_100011218706_100000187161 [0,1,0,0,0,1|2,0,0]=4 2114 B16R1.76 O=C(O)CC(O)CNCc1ccc(cc1)F 269956a_100011218706_100000198546 [0,1,0,0,0,1|2,0,0]=4 2115 B16R1.76 O=C(O)CC(O)CNCc1ccc(cc1)I 269956a_100011218706_100000189116 [0,1,0,0,0,1|2,0,0]=4 2116 B16R1.82 Cc1cccc(c1)CNCC(O)CC(=O)O 269956a_100011218706_100000005736 [0,1,0,0,0,1|2,0,0]=4 2117 B16R1.82 O=C(O)CC(O)CNCc1cccc(c1)Br 269956a_100011218706_100000211773 [0,1,0,0,0,1|2,0,0]=4 2118 B16R1.82 O=C(O)CC(O)CNCc1cccc(c1)Cl 269956a_100011218706_100000187163 [0,1,0,0,0,1|2,0,0]=4 2119 B16R1.82 O=C(O)CC(O)CNCc1cccc(c1)F 269956a_100011218706_100000230114 [0,1,0,0,0,1|2,0,0]=4 2120 B16R1.82 O=C(O)CC(O)CNCc1cccc(c1)I 269956a_100011218706_100011218688 [0,1,0,0,0,1|2,0,0]=4 2121 B16R1.82 O=C(O)CC(O)CNCc1cccc(c1)O 269956a_100011218706_100011660834 [0,1,0,0,0,1|2,0,0]=4 2122 B16R1.289 Cc1ccccc1CNCC(O)CC(=O)O 269956a_100011218706_100000211750 [0,1,0,0,0,1|2,0,0]=4 2123 B16R1.289 O=C(O)CC(O)CNCc1ccccc1Br 269956a_100011218706_100000184730 [0,1,0,0,0,1|2,0,0]=4 2124 B16R1.289 O=C(O)CC(O)CNCc1ccccc1Cl 269956a_100011218706_100000187162 [0,1,0,0,0,1|2,0,0]=4 2125 B16R1.289 O=C(O)CC(O)CNCc1ccccc1F 269956a_100011218706_100000187165 [0,1,0,0,0,1|2,0,0]=4 2126 B16R1.289 O=C(O)CC(O)CNCc1ccccc1I 269956a_100011218706_100011216222 [0,1,0,0,0,1|2,0,0]=4 2127 B16R1.612 CC(NCC(O)CC(=O)O)c1ccccc1 269956a_100011218706_100000211855 [0,1,0,0,0,1|2,0,0]=4 2128 B16R1.849 CC(COCc1ccccc1)CC(=O)CO 1458a_100000210174_100011216253 [0,1,0,0,0,1|1,1,0]=4 2129 B16R1.849 COC(=O)CC(=O)CSCc1ccccc1 1458a_100000150264_100000747449 [0,1,0,0,0,1|1,0,1]=4 2130 B16R1.849 COC(=O)CC(=O)CSCc1ccccc1 1458a_100000211351_200011217039 [0,1,0,0,0,1|1,0,1]=4 2131 B16R1.849 COC(=O)CC(=O)CSCc1ccccc1 62a_100000210525_100015291786 [0,1,0,0,0,1|1,0,1]=4 2132 B16R1.849 COC(=O)CC(=O)CSCc1ccccc1 62a_100000211182_100000210525 [0,1,0,0,0,1|1,0,1]=4 2133 B16R1.849 COC(=O)CN(C)CSCc1ccccc1 2230a_100000198492_200011217039 [0,1,0,0,0,1|2,0,0]=4 2134 B16R1.849 COC(=O)C[C@@H](O)CNCc1ccccc1 34a_100015324214_100000754131 [0,1,0,0,0,1|2,0,0]=4 2135 B16R1.849 COC(=O)C[C@@H](O)COCc1ccccc1 34a_100000210790_100000754131 [0,1,0,0,0,1|1,1,0]=4 2136 B16R1.849 COC(=O)C[C@@H](O)COCc1ccccc1 7a_100000210790_100000754131 [0,1,0,0,0,1|1,1,0]=4 2137 B16R1.849 COC(=O)C[C@@H](O)CSCc1ccccc1 62a_100000211182_100000754131 [0,1,0,0,0,1|1,0,0]=3 2138 B16R1.849 COC(=O)C[C@@H](O)CSCc1ccccc1 62a_100000754131_100015291786 [0,1,0,0,0,1|1,0,0]=3 2139 B16R1.849 COC(=O)C[C@@H](O)CSCc1ccccn1 62a_100000721315_100000754131 [0,1,0,0,0,1|2,0,0]=4 2140 B16R1.849 COC(=O)C[C@@H](O)CSCc1ccccn1 62a_100000754131_100000721315 [0,1,0,0,0,1|2,0,0]=4 2141 B16R1.849 COC(=O)C[C@@H](O)CSCc1cccnc1 62a_100000741622_100000754131 [0,1,0,0,0,1|2,0,0]=4 2142 B16R1.849 COC(=O)C[C@@H](O)CSCc1cccnc1 62a_100000754131_100000741622 [0,1,0,0,0,1|2,0,0]=4 2143 B16R1.849 COC(=O)C[C@@H](O)CSCc1ccncc1 62a_100000754131_100015193705 [0,1,0,0,0,1|2,0,0]=4 2144 B16R1.849 COC(=O)C[C@@H](O)CSCc1ccncc1 62a_100015193705_100000754131 [0,1,0,0,0,1|2,0,0]=4 2145 B16R1.849 COC(=O)NC(=O)CSCc1ccccc1 62a_100000211182_100000010850 [0,1,0,0,0,1|1,0,1]=4 2146 B16R1.2934 CCN(CSCc1ccccc1)CC(=O)O 269956a_100000746405_200011217039 [0,1,0,0,0,1|2,0,0]=4 2147 B16R1.5 C#Cc1ccc(cc1)CNCC(C)C(=O)O 269956a_100000749485_100000140223 [0,2,0,0,0,0|2,0,0]=4 2148 B16R1.5 C#Cc1ccc(cc1)CNCC(F)C(=O)O 269956a_100000084737_100000140223 [0,2,0,0,0,0|2,0,0]=4 2149 B16R1.5 C#Cc1ccc(cc1)COC[C@H](N)C(=O)N 34a_100000729942_100000140223 [0,2,0,0,0,0|1,1,0]=4 2150 B16R1.5 C=Cc1ccc(cc1)CNCC(C)C(=O)O 269956a_100000749485_100000034074 [0,2,0,0,0,0|2,0,0]=4 2151 B16R1.5 C=Cc1ccc(cc1)CNCC(F)C(=O)O 269956a_100000084737_100000034074 [0,2,0,0,0,0|2,0,0]=4 2152 B16R1.5 C=Cc1ccc(cc1)COC[C@H](N)C(=O)N 34a_100000729942_100000034074 [0,2,0,0,0,0|1,1,0]=4 2153 B16R1.5 CC(CNCc1ccc(cc1)C#N)C(=O)O 269956a_100000749485_100000184898 [0,2,0,0,0,0|2,0,0]=4 2154 B16R1.5 CC(CNCc1ccc(cc1)C=O)C(=O)O 269956a_100000749485_100009816848 [0,2,0,0,0,0|2,0,0]=4 2155 B16R1.5 CC(CNCc1ccc(cc1)CO)C(=O)O 269956a_100000749485_100000067286 [0,2,0,0,0,0|2,0,0]=4 2156 B16R1.5 CCc1ccc(cc1)CNCC(C)C(=O)O 269956a_100000749485_100000757233 [0,2,0,0,0,0|2,0,0]=4 2157 B16R1.5 CCc1ccc(cc1)CNCC(F)C(=O)O 269956a_100000084737_100000757233 [0,2,0,0,0,0|2,0,0]=4 2158 B16R1.5 CCc1ccc(cc1)COC[C@H](N)C(=O)N 34a_100000729942_100000747183 [0,2,0,0,0,0|1,1,0]=4 2159 B16R1.5 COc1ccc(cc1)CNCC(C)C(=O)O 269956a_100000749485_100000742318 [0,2,0,0,0,0|2,0,0]=4 2160 B16R1.5 COc1ccc(cc1)CNCC(F)C(=O)O 269956a_100000084737_100000742318 [0,2,0,0,0,0|2,0,0]=4 2161 B16R1.5 COc1ccc(cc1)COC[C@H](N)C(=O)N 34a_100000729942_100000742318 [0,2,0,0,0,0|1,1,0]=4 2162 B16R1.5 CSc1ccc(cc1)CNCC(C)C(=O)O 269956a_100000749485_100000181263 [0,2,0,0,0,0|2,0,0]=4 2163 B16R1.5 CSc1ccc(cc1)CNCC(F)C(=O)O 269956a_100000084737_100000181263 [0,2,0,0,0,0|2,0,0]=4 2164 B16R1.5 CSc1ccc(cc1)COC[C@H](N)C(=O)N 34a_100000729942_100000181263 [0,2,0,0,0,0|1,1,0]=4 2165 B16R1.5 N#Cc1ccc(cc1)CNCC(F)C(=O)O 269956a_100000084737_100000184898 [0,2,0,0,0,0|2,0,0]=4 2166 B16R1.5 N#Cc1ccc(cc1)COC[C@H](N)C(=O)N 34a_100000729942_100000184898 [0,2,0,0,0,0|1,1,0]=4 2167 B16R1.5 NC(=O)[C@@H](N)COCc1ccc(cc1)C=O 34a_100000729942_100009816848 [0,2,0,0,0,0|1,1,0]=4 2168 B16R1.5 NC(=O)[C@@H](N)COCc1ccc(cc1)CO 34a_100000729942_100000067286 [0,2,0,0,0,0|1,1,0]=4 2169 B16R1.5 O=C(O)C(F)CNCc1ccc(cc1)CO 269956a_100000084737_100000067286 [0,2,0,0,0,0|2,0,0]=4 2170 B16R1.5 O=Cc1ccc(cc1)CNCC(F)C(=O)O 269956a_100000084737_100009816848 [0,2,0,0,0,0|2,0,0]=4 2171 B16R1.10 C=C(CSCc1ccc(cc1)Br)C(=O)OC 62a_100000189115_100009813391 [0,2,0,0,0,0|1,0,1]=4 2172 B16R1.10 C=C(CSCc1ccc(cc1)Br)C(=O)OC 62a_100009813391_100000189115 [0,2,0,0,0,0|1,0,1]=4 2173 B16R1.10 C=C(CSCc1ccc(cc1)C)C(=O)OC 62a_100000210814_100009813391 [0,2,0,0,0,0|1,0,1]=4 2174 B16R1.10 C=C(CSCc1ccc(cc1)C)C(=O)OC 62a_100009813391_100000210814 [0,2,0,0,0,0|1,0,1]=4 2175 B16R1.10 C=C(CSCc1ccc(cc1)Cl)C(=O)OC 62a_100000187161_100009813391 [0,2,0,0,0,0|1,0,1]=4 2176 B16R1.10 C=C(CSCc1ccc(cc1)Cl)C(=O)OC 62a_100009813391_100000187161 [0,2,0,0,0,0|1,0,1]=4 2177 B16R1.10 C=C(CSCc1ccc(cc1)F)C(=O)OC 62a_100000198546_100009813391 [0,2,0,0,0,0|1,0,1]=4 2178 B16R1.10 C=C(CSCc1ccc(cc1)F)C(=O)OC 62a_100009813391_100000187164 [0,2,0,0,0,0|1,0,1]=4 2179 B16R1.10 C=C(CSCc1ccc(cc1)I)C(=O)OC 62a_100000189116_100009813391 [0,2,0,0,0,0|1,0,1]=4 2180 B16R1.10 C=C(CSCc1ccc(cc1)I)C(=O)OC 62a_100009813391_100000189116 [0,2,0,0,0,0|1,0,1]=4 2181 B16R1.10 COC(=O)C(=O)CSCc1ccc(cc1)Br 62a_100000189115_100011610305 [0,2,0,0,0,0|1,0,1]=4 2182 B16R1.10 COC(=O)C(=O)CSCc1ccc(cc1)Br 62a_100011610305_100000189115 [0,2,0,0,0,0|1,0,1]=4 2183 B16R1.10 COC(=O)C(=O)CSCc1ccc(cc1)C 62a_100000210814_100011610305 [0,2,0,0,0,0|1,0,1]=4 2184 B16R1.10 COC(=O)C(=O)CSCc1ccc(cc1)C 62a_100011610305_100000210814 [0,2,0,0,0,0|1,0,1]=4 2185 B16R1.10 COC(=O)C(=O)CSCc1ccc(cc1)Cl 62a_100000187161_100011610305 [0,2,0,0,0,0|1,0,1]=4 2186 B16R1.10 COC(=O)C(=O)CSCc1ccc(cc1)Cl 62a_100011610305_100000187161 [0,2,0,0,0,0|1,0,1]=4 2187 B16R1.10 COC(=O)C(=O)CSCc1ccc(cc1)F 62a_100000198546_100011610305 [0,2,0,0,0,0|1,0,1]=4 2188 B16R1.10 COC(=O)C(=O)CSCc1ccc(cc1)F 62a_100011610305_100000187164 [0,2,0,0,0,0|1,0,1]=4 2189 B16R1.10 COC(=O)C(=O)CSCc1ccc(cc1)I 62a_100000189116_100011610305 [0,2,0,0,0,0|1,0,1]=4 2190 B16R1.10 COC(=O)C(=O)CSCc1ccc(cc1)I 62a_100011610305_100000189116 [0,2,0,0,0,0|1,0,1]=4 2191 B16R1.10 COC(=O)C(C)CNCc1ccc(cc1)Br 34a_100000174875_100000698445 [0,2,0,0,0,0|2,0,0]=4 2192 B16R1.10 COC(=O)C(C)CNCc1ccc(cc1)C 34a_100000174908_100000698445 [0,2,0,0,0,0|2,0,0]=4 2193 B16R1.10 COC(=O)C(C)CNCc1ccc(cc1)Cl 34a_100000174871_100000698445 [0,2,0,0,0,0|2,0,0]=4 2194 B16R1.10 COC(=O)C(C)CNCc1ccc(cc1)F 34a_100000174882_100000698445 [0,2,0,0,0,0|2,0,0]=4 2195 B16R1.10 COC(=O)C(C)CNCc1ccc(cc1)I 34a_100016989417_100000698445 [0,2,0,0,0,0|2,0,0]=4 2196 B16R1.10 COC(=O)C(C)CNCc1ccc(cc1)O 34a_100000185549_100000698445 [0,2,0,0,0,0|2,0,0]=4 2197 B16R1.10 COC(=O)C(C)COCc1ccc(cc1)Br 34a_100000695286_100000698445 [0,2,0,0,0,0|1,1,0]=4 2198 B16R1.10 COC(=O)C(C)COCc1ccc(cc1)Br 34a_100000749362_100000189115 [0,2,0,0,0,0|1,1,0]=4 2199 B16R1.10 COC(=O)C(C)COCc1ccc(cc1)Br 7a_100000749362_100011217064 [0,2,0,0,0,0|1,1,0]=4 2200 B16R1.10 COC(=O)C(C)COCc1ccc(cc1)C 34a_100000749362_100000210814 [0,2,0,0,0,0|1,1,0]=4 2201 B16R1.10 COC(=O)C(C)COCc1ccc(cc1)C 34a_100011215236_100000698445 [0,2,0,0,0,0|1,1,0]=4 2202 B16R1.10 COC(=O)C(C)COCc1ccc(cc1)C 7a_100000749362_100000210814 [0,2,0,0,0,0|1,1,0]=4 2203 B16R1.10 COC(=O)C(C)COCc1ccc(cc1)Cl 34a_100000211118_100000698445 [0,2,0,0,0,0|1,1,0]=4 2204 B16R1.10 COC(=O)C(C)COCc1ccc(cc1)Cl 34a_100000749362_100000694040 [0,2,0,0,0,0|1,1,0]=4 2205 B16R1.10 COC(=O)C(C)COCc1ccc(cc1)Cl 7a_100000749362_100000187161 [0,2,0,0,0,0|1,1,0]=4 2206 B16R1.10 COC(=O)C(C)COCc1ccc(cc1)F 34a_100000210977_100000698445 [0,2,0,0,0,0|1,1,0]=4 2207 B16R1.10 COC(=O)C(C)COCc1ccc(cc1)F 34a_100000749362_100000198546 [0,2,0,0,0,0|1,1,0]=4 2208 B16R1.10 COC(=O)C(C)COCc1ccc(cc1)F 7a_100000749362_100000198546 [0,2,0,0,0,0|1,1,0]=4 2209 B16R1.10 COC(=O)C(C)COCc1ccc(cc1)I 34a_100000690907_100000698445 [0,2,0,0,0,0|1,1,0]=4 2210 B16R1.10 COC(=O)C(C)COCc1ccc(cc1)I 34a_100000749362_100000189116 [0,2,0,0,0,0|1,1,0]=4 2211 B16R1.10 COC(=O)C(C)COCc1ccc(cc1)I 7a_100000749362_100000189116 [0,2,0,0,0,0|1,1,0]=4 2212 B16R1.10 COC(=O)C(C)COCc1ccc(cc1)N 34a_100011215238_100000698445 [0,2,0,0,0,0|1,1,0]=4 2213 B16R1.10 COC(=O)C(C)CSCc1ccc(cc1)Br 62a_100000189115_100000698445 [0,2,0,0,0,0|1,0,0]=3 2214 B16R1.10 COC(=O)C(C)CSCc1ccc(cc1)Br 62a_100000698445_100000189115 [0,2,0,0,0,0|1,0,0]=3 2215 B16R1.10 COC(=O)C(C)CSCc1ccc(cc1)C 62a_100000210814_100000698445 [0,2,0,0,0,0|1,0,0]=3 2216 B16R1.10 COC(=O)C(C)CSCc1ccc(cc1)C 62a_100000698445_100000210814 [0,2,0,0,0,0|1,0,0]=3 2217 B16R1.10 COC(=O)C(C)CSCc1ccc(cc1)Cl 62a_100000187161_100000698445 [0,2,0,0,0,0|1,0,0]=3 2218 B16R1.10 COC(=O)C(C)CSCc1ccc(cc1)Cl 62a_100000698445_100000187161 [0,2,0,0,0,0|1,0,0]=3 2219 B16R1.10 COC(=O)C(C)CSCc1ccc(cc1)F 62a_100000198546_100000698445 [0,2,0,0,0,0|1,0,0]=3 2220 B16R1.10 COC(=O)C(C)CSCc1ccc(cc1)F 62a_100000698445_100000187164 [0,2,0,0,0,0|1,0,0]=3 2221 B16R1.10 COC(=O)C(C)CSCc1ccc(cc1)I 62a_100000189116_100000698445 [0,2,0,0,0,0|1,0,0]=3 2222 B16R1.10 COC(=O)C(C)CSCc1ccc(cc1)I 62a_100000698445_100000189116 [0,2,0,0,0,0|1,0,0]=3 2223 B16R1.10 COC(=O)C(C)CSCc1ccc(cn1)Br 62a_100000698445_100000702658 [0,2,0,0,0,0|2,0,0]=4 2224 B16R1.10 COC(=O)C(C)CSCc1ccc(cn1)Br 62a_100000702658_100000698445 [0,2,0,0,0,0|2,0,0]=4 2225 B16R1.10 COC(=O)C(C)CSCc1ccc(cn1)C 62a_100000691093_100000698445 [0,2,0,0,0,0|2,0,0]=4 2226 B16R1.10 COC(=O)C(C)CSCc1ccc(cn1)C 62a_100000698445_100000691093 [0,2,0,0,0,0|2,0,0]=4 2227 B16R1.10 COC(=O)C(C)CSCc1ccc(cn1)Cl 62a_100000698445_100000697101 [0,2,0,0,0,0|2,0,0]=4 2228 B16R1.10 COC(=O)C(C)CSCc1ccc(cn1)Cl 62a_100012066911_100000698445 [0,2,0,0,0,0|2,0,0]=4 2229 B16R1.10 COC(=O)C(C)CSCc1ccc(cn1)F 62a_100000698445_100000703193 [0,2,0,0,0,0|2,0,0]=4 2230 B16R1.10 COC(=O)C(C)CSCc1ccc(cn1)F 62a_100000703193_100000698445 [0,2,0,0,0,0|2,0,0]=4 2231 B16R1.10 COC(=O)C(C)CSCc1ccc(nc1)Br 62a_100000698445_100009831999 [0,2,0,0,0,0|2,0,0]=4 2232 B16R1.10 COC(=O)C(C)CSCc1ccc(nc1)Br 62a_100009831999_100000698445 [0,2,0,0,0,0|2,0,0]=4 2233 B16R1.10 COC(=O)C(C)CSCc1ccc(nc1)C 62a_100000698445_100016987292 [0,2,0,0,0,0|2,0,0]=4 2234 B16R1.10 COC(=O)C(C)CSCc1ccc(nc1)C 62a_100016987292_100000698445 [0,2,0,0,0,0|2,0,0]=4 2235 B16R1.10 COC(=O)C(C)CSCc1ccc(nc1)Cl 62a_100000698445_100000735431 [0,2,0,0,0,0|2,0,0]=4 2236 B16R1.10 COC(=O)C(C)CSCc1ccc(nc1)Cl 62a_100000735431_100000698445 [0,2,0,0,0,0|2,0,0]=4 2237 B16R1.10 COC(=O)C(C)CSCc1ccc(nc1)F 62a_100000698445_100000099788 [0,2,0,0,0,0|2,0,0]=4 2238 B16R1.10 COC(=O)C(C)CSCc1ccc(nc1)F 62a_100009820150_100000698445 [0,2,0,0,0,0|2,0,0]=4 2239 B16R1.10 COC(=O)C(F)COCc1ccc(cc1)Br 34a_200009849844_100000189115 [0,2,0,0,0,0|1,1,0]=4 2240 B16R1.10 COC(=O)C(F)COCc1ccc(cc1)C 34a_200009849844_100000210814 [0,2,0,0,0,0|1,1,0]=4 2241 B16R1.10 COC(=O)C(F)COCc1ccc(cc1)Cl 34a_200009849844_100000694040 [0,2,0,0,0,0|1,1,0]=4 2242 B16R1.10 COC(=O)C(F)COCc1ccc(cc1)F 34a_200009849844_100000198546 [0,2,0,0,0,0|1,1,0]=4 2243 B16R1.10 COC(=O)C(F)COCc1ccc(cc1)I 34a_200009849844_100000189116 [0,2,0,0,0,0|1,1,0]=4 2244 B16R1.10 COC(=O)[C@H](N)COCc1ccc(cc1)Br 34a_100000003586_100000189115 [0,2,0,0,0,0|0,1,0]=3 2245 B16R1.10 COC(=O)[C@H](N)COCc1ccc(cc1)C 34a_100000003586_100000210814 [0,2,0,0,0,0|0,1,0]=3 2246 B16R1.10 COC(=O)[C@H](N)COCc1ccc(cc1)Cl 34a_100000003586_100000694040 [0,2,0,0,0,0|0,1,0]=3 2247 B16R1.10 COC(=O)[C@H](N)COCc1ccc(cc1)F 34a_100000003586_100000198546 [0,2,0,0,0,0|0,1,0]=3 2248 B16R1.10 COC(=O)[C@H](N)COCc1ccc(cc1)I 34a_100000003586_100000189116 [0,2,0,0,0,0|0,1,0]=3 2249 B16R1.10 COC(=O)[C@H](N)COCc1ccc(cn1)Br 34a_100000003586_100000702658 [0,2,0,0,0,0|1,1,0]=4 2250 B16R1.10 COC(=O)[C@H](N)COCc1ccc(cn1)C 34a_100000003586_100000691093 [0,2,0,0,0,0|1,1,0]=4 2251 B16R1.10 COC(=O)[C@H](N)COCc1ccc(cn1)Cl 34a_100000003586_100012066911 [0,2,0,0,0,0|1,1,0]=4 2252 B16R1.10 COC(=O)[C@H](N)COCc1ccc(cn1)F 34a_100000003586_100000703193 [0,2,0,0,0,0|1,1,0]=4 2253 B16R1.10 COC(=O)[C@H](N)COCc1ccc(nc1)Br 34a_100000003586_100009831999 [0,2,0,0,0,0|1,1,0]=4 2254 B16R1.10 COC(=O)[C@H](N)COCc1ccc(nc1)C 34a_100000003586_100016987292 [0,2,0,0,0,0|1,1,0]=4 2255 B16R1.10 COC(=O)[C@H](N)COCc1ccc(nc1)Cl 34a_100000003586_100000735431 [0,2,0,0,0,0|1,1,0]=4 2256 B16R1.10 COC(=O)[C@H](N)COCc1ccc(nc1)F 34a_100000003586_100000099788 [0,2,0,0,0,0|1,1,0]=4 2257 B16R1.10 Cc1ccc(cc1)COCC(N)C(=O)NN 34a_100016989258_100000210814 [0,2,0,0,0,0|1,1,0]=4 2258 B16R1.10 NNC(=O)C(N)COCc1ccc(cc1)Br 34a_100016989258_100000189115 [0,2,0,0,0,0|1,1,0]=4 2259 B16R1.10 NNC(=O)C(N)COCc1ccc(cc1)Cl 34a_100016989258_100000694040 [0,2,0,0,0,0|1,1,0]=4 2260 B16R1.10 NNC(=O)C(N)COCc1ccc(cc1)F 34a_100016989258_100000198546 [0,2,0,0,0,0|1,1,0]=4 2261 B16R1.10 NNC(=O)C(N)COCc1ccc(cc1)I 34a_100016989258_100000189116 [0,2,0,0,0,0|1,1,0]=4 2262 B16R1.762 CN[C@@H](CSCc1ccc(cc1)C)C(=O)O 269956a_200011418400_200000210301 [0,2,0,0,0,0|0,0,0]=2 2263 B16R1.762 Cc1ccc(cc1)CSC[C@H](N[13CH3])C(=O)O 269956a_200011418400_200025704644 [0,2,0,0,0,0|0,0,0]=2 2264 B16R1.1037 CC(CNCc1ccc(c(c1)Br)Br)C(=O)O 269956a_100000749485_100012353900 [0,2,0,0,0,0|2,0,0]=4 2265 B16R1.1037 CC(CNCc1ccc(c(c1)Br)Cl)C(=O)O 269956a_100000749485_100012353894 [0,2,0,0,0,0|2,0,0]=4 2266 B16R1.1037 CC(CNCc1ccc(c(c1)Br)F)C(=O)O 269956a_100000749485_100000743011 [0,2,0,0,0,0|2,0,0]=4 2267 B16R1.1037 CC(CNCc1ccc(c(c1)Cl)Br)C(=O)O 269956a_100000749485_100012353895 [0,2,0,0,0,0|2,0,0]=4 2268 B16R1.1037 CC(CNCc1ccc(c(c1)Cl)Cl)C(=O)O 269956a_100000749485_100000188800 [0,2,0,0,0,0|2,0,0]=4 2269 B16R1.1037 CC(CNCc1ccc(c(c1)Cl)F)C(=O)O 269956a_100000749485_100000717365 [0,2,0,0,0,0|2,0,0]=4 2270 B16R1.1037 CC(CNCc1ccc(c(c1)Cl)I)C(=O)O 269956a_100000749485_100012349665 [0,2,0,0,0,0|2,0,0]=4 2271 B16R1.1037 CC(CNCc1ccc(c(c1)F)Br)C(=O)O 269956a_100000749485_100000767054 [0,2,0,0,0,0|2,0,0]=4 2272 B16R1.1037 CC(CNCc1ccc(c(c1)F)Cl)C(=O)O 269956a_100000749485_100000716492 [0,2,0,0,0,0|2,0,0]=4 2273 B16R1.1037 CC(CNCc1ccc(c(c1)F)F)C(=O)O 269956a_100000749485_100000757363 [0,2,0,0,0,0|2,0,0]=4 2274 B16R1.1037 CC(CNCc1ccc(c(c1)F)I)C(=O)O 269956a_100000749485_100010149604 [0,2,0,0,0,0|2,0,0]=4 2275 B16R1.1037 CC(CNCc1ccc(c(c1)I)Br)C(=O)O 269956a_100000749485_100010146616 [0,2,0,0,0,0|2,0,0]=4 2276 B16R1.1037 CC(CNCc1ccc(c(c1)I)F)C(=O)O 269956a_100000749485_100010188208 [0,2,0,0,0,0|2,0,0]=4 2277 B16R1.1037 Cc1cc(ccc1Br)CNCC(C)C(=O)O 269956a_100000749485_100000727479 [0,2,0,0,0,0|2,0,0]=4 2278 B16R1.1037 Cc1cc(ccc1Br)CNCC(F)C(=O)O 269956a_100000084737_100000727479 [0,2,0,0,0,0|2,0,0]=4 2279 B16R1.1037 Cc1cc(ccc1Br)COC[C@H](N)C(=O)N 34a_100000729942_100000727479 [0,2,0,0,0,0|1,1,0]=4 2280 B16R1.1037 Cc1cc(ccc1Cl)CNCC(C)C(=O)O 269956a_100000749485_100012184735 [0,2,0,0,0,0|2,0,0]=4 2281 B16R1.1037 Cc1cc(ccc1Cl)CNCC(F)C(=O)O 269956a_100000084737_100012184735 [0,2,0,0,0,0|2,0,0]=4 2282 B16R1.1037 Cc1cc(ccc1Cl)COC[C@H](N)C(=O)N 34a_100000729942_100012184735 [0,2,0,0,0,0|1,1,0]=4 2283 B16R1.1037 Cc1cc(ccc1F)CNCC(C)C(=O)O 269956a_100000749485_100011216667 [0,2,0,0,0,0|2,0,0]=4 2284 B16R1.1037 Cc1cc(ccc1F)CNCC(F)C(=O)O 269956a_100000084737_100011216667 [0,2,0,0,0,0|2,0,0]=4 2285 B16R1.1037 Cc1cc(ccc1F)COC[C@H](N)C(=O)N 34a_100000729942_100011216667 [0,2,0,0,0,0|1,1,0]=4 2286 B16R1.1037 Cc1ccc(cc1Br)CNCC(C)C(=O)O 269956a_100000749485_100012232412 [0,2,0,0,0,0|2,0,0]=4 2287 B16R1.1037 Cc1ccc(cc1Br)CNCC(F)C(=O)O 269956a_100000084737_100012232412 [0,2,0,0,0,0|2,0,0]=4 2288 B16R1.1037 Cc1ccc(cc1Br)COC[C@H](N)C(=O)N 34a_100000729942_100012232412 [0,2,0,0,0,0|1,1,0]=4 2289 B16R1.1037 Cc1ccc(cc1C)CNCC(C)C(=O)O 269956a_100000749485_100000742320 [0,2,0,0,0,0|2,0,0]=4 2290 B16R1.1037 Cc1ccc(cc1C)CNCC(F)C(=O)O 269956a_100000084737_100000742320 [0,2,0,0,0,0|2,0,0]=4 2291 B16R1.1037 Cc1ccc(cc1C)COC[C@H](N)C(=O)N 34a_100000729942_100000742320 [0,2,0,0,0,0|1,1,0]=4 2292 B16R1.1037 Cc1ccc(cc1Cl)CNCC(C)C(=O)O 269956a_100000749485_100011823929 [0,2,0,0,0,0|2,0,0]=4 2293 B16R1.1037 Cc1ccc(cc1Cl)CNCC(F)C(=O)O 269956a_100000084737_100011823929 [0,2,0,0,0,0|2,0,0]=4 2294 B16R1.1037 Cc1ccc(cc1Cl)COC[C@H](N)C(=O)N 34a_100000729942_100011823929 [0,2,0,0,0,0|1,1,0]=4 2295 B16R1.1037 Cc1ccc(cc1F)CNCC(C)C(=O)O 269956a_100000749485_100011217369 [0,2,0,0,0,0|2,0,0]=4 2296 B16R1.1037 Cc1ccc(cc1F)CNCC(F)C(=O)O 269956a_100000084737_100011217369 [0,2,0,0,0,0|2,0,0]=4 2297 B16R1.1037 Cc1ccc(cc1F)COC[C@H](N)C(=O)N 34a_100000729942_100011217369 [0,2,0,0,0,0|1,1,0]=4 2298 B16R1.1037 Cc1ccc(cc1I)CNCC(C)C(=O)O 269956a_100000749485_100010206137 [0,2,0,0,0,0|2,0,0]=4 2299 B16R1.1037 Cc1ccc(cc1I)CNCC(F)C(=O)O 269956a_100000084737_100010206137 [0,2,0,0,0,0|2,0,0]=4 2300 B16R1.1037 Cc1ccc(cc1I)COC[C@H](N)C(=O)N 34a_100000729942_100010206137 [0,2,0,0,0,0|1,1,0]=4 2301 B16R1.1037 NC(=O)[C@@H](N)COCc1ccc(c(c1)Br)Br 34a_100000729942_100012353900 [0,2,0,0,0,0|1,1,0]=4 2302 B16R1.1037 NC(=O)[C@@H](N)COCc1ccc(c(c1)Br)Cl 34a_100000729942_100012353894 [0,2,0,0,0,0|1,1,0]=4 2303 B16R1.1037 NC(=O)[C@@H](N)COCc1ccc(c(c1)Br)F 34a_100000729942_100011206884 [0,2,0,0,0,0|1,1,0]=4 2304 B16R1.1037 NC(=O)[C@@H](N)COCc1ccc(c(c1)Cl)Br 34a_100000729942_100012353895 [0,2,0,0,0,0|1,1,0]=4 2305 B16R1.1037 NC(=O)[C@@H](N)COCc1ccc(c(c1)Cl)Cl 34a_100000729942_100000184707 [0,2,0,0,0,0|1,1,0]=4 2306 B16R1.1037 NC(=O)[C@@H](N)COCc1ccc(c(c1)Cl)F 34a_100000729942_100011934319 [0,2,0,0,0,0|1,1,0]=4 2307 B16R1.1037 NC(=O)[C@@H](N)COCc1ccc(c(c1)Cl)I 34a_100000729942_100012349665 [0,2,0,0,0,0|1,1,0]=4 2308 B16R1.1037 NC(=O)[C@@H](N)COCc1ccc(c(c1)F)Br 34a_100000729942_100000767054 [0,2,0,0,0,0|1,1,0]=4 2309 B16R1.1037 NC(=O)[C@@H](N)COCc1ccc(c(c1)F)Cl 34a_100000729942_100011519011 [0,2,0,0,0,0|1,1,0]=4 2310 B16R1.1037 NC(=O)[C@@H](N)COCc1ccc(c(c1)F)F 34a_100000729942_100000757363 [0,2,0,0,0,0|1,1,0]=4 2311 B16R1.1037 NC(=O)[C@@H](N)COCc1ccc(c(c1)F)I 34a_100000729942_100010149604 [0,2,0,0,0,0|1,1,0]=4 2312 B16R1.1037 NC(=O)[C@@H](N)COCc1ccc(c(c1)I)Br 34a_100000729942_100010146616 [0,2,0,0,0,0|1,1,0]=4 2313 B16R1.1037 NC(=O)[C@@H](N)COCc1ccc(c(c1)I)F 34a_100000729942_100010188208 [0,2,0,0,0,0|1,1,0]=4 2314 B16R1.1037 O=C(O)C(F)CNCc1ccc(c(c1)Br)Br 269956a_100000084737_100012353900 [0,2,0,0,0,0|2,0,0]=4 2315 B16R1.1037 O=C(O)C(F)CNCc1ccc(c(c1)Br)Cl 269956a_100000084737_100012353894 [0,2,0,0,0,0|2,0,0]=4 2316 B16R1.1037 O=C(O)C(F)CNCc1ccc(c(c1)Br)F 269956a_100000084737_100000743011 [0,2,0,0,0,0|2,0,0]=4 2317 B16R1.1037 O=C(O)C(F)CNCc1ccc(c(c1)Cl)Br 269956a_100000084737_100012353895 [0,2,0,0,0,0|2,0,0]=4 2318 B16R1.1037 O=C(O)C(F)CNCc1ccc(c(c1)Cl)Cl 269956a_100000084737_100000188800 [0,2,0,0,0,0|2,0,0]=4 2319 B16R1.1037 O=C(O)C(F)CNCc1ccc(c(c1)Cl)F 269956a_100000084737_100000717365 [0,2,0,0,0,0|2,0,0]=4 2320 B16R1.1037 O=C(O)C(F)CNCc1ccc(c(c1)Cl)I 269956a_100000084737_100012349665 [0,2,0,0,0,0|2,0,0]=4 2321 B16R1.1037 O=C(O)C(F)CNCc1ccc(c(c1)F)Br 269956a_100000084737_100000767054 [0,2,0,0,0,0|2,0,0]=4 2322 B16R1.1037 O=C(O)C(F)CNCc1ccc(c(c1)F)Cl 269956a_100000084737_100000716492 [0,2,0,0,0,0|2,0,0]=4 2323 B16R1.1037 O=C(O)C(F)CNCc1ccc(c(c1)F)F 269956a_100000084737_100000757363 [0,2,0,0,0,0|2,0,0]=4 2324 B16R1.1037 O=C(O)C(F)CNCc1ccc(c(c1)F)I 269956a_100000084737_100010149604 [0,2,0,0,0,0|2,0,0]=4 2325 B16R1.1037 O=C(O)C(F)CNCc1ccc(c(c1)I)Br 269956a_100000084737_100010146616 [0,2,0,0,0,0|2,0,0]=4 2326 B16R1.1037 O=C(O)C(F)CNCc1ccc(c(c1)I)F 269956a_100000084737_100010188208 [0,2,0,0,0,0|2,0,0]=4 2327 B16R1.1039 CC(CNC(C)c1ccc(cc1)Br)C(=O)O 269956a_100000749485_100000755118 [0,2,0,0,0,0|2,0,0]=4 2328 B16R1.1039 CC(CNC(C)c1ccc(cc1)Cl)C(=O)O 269956a_100000749485_100000684792 [0,2,0,0,0,0|2,0,0]=4 2329 B16R1.1039 CC(CNC(C)c1ccc(cc1)F)C(=O)O 269956a_100000749485_100000743420 [0,2,0,0,0,0|2,0,0]=4 2330 B16R1.1039 CC(NCC(F)C(=O)O)c1ccc(cc1)Br 269956a_100000084737_100000755118 [0,2,0,0,0,0|2,0,0]=4 2331 B16R1.1039 CC(NCC(F)C(=O)O)c1ccc(cc1)Cl 269956a_100000084737_100000684792 [0,2,0,0,0,0|2,0,0]=4 2332 B16R1.1039 CC(NCC(F)C(=O)O)c1ccc(cc1)F 269956a_100000084737_100000743420 [0,2,0,0,0,0|2,0,0]=4 2333 B16R1.1039 CC(OC[C@H](N)C(=O)N)c1ccc(cc1)Br 34a_100000729942_100000755118 [0,2,0,0,0,0|1,1,0]=4 2334 B16R1.1039 CC(OC[C@H](N)C(=O)N)c1ccc(cc1)F 34a_100000729942_100000743420 [0,2,0,0,0,0|1,1,0]=4 2335 B16R1.1039 Cc1ccc(cc1)C(C)NCC(C)C(=O)O 269956a_100000749485_100011261388 [0,2,0,0,0,0|2,0,0]=4 2336 B16R1.1039 Cc1ccc(cc1)C(C)NCC(F)C(=O)O 269956a_100000084737_100011261388 [0,2,0,0,0,0|2,0,0]=4 2337 B16R1.1039 Cc1ccc(cc1)C(C)OC[C@H](N)C(=O)N 34a_100000729942_100011261388 [0,2,0,0,0,0|1,1,0]=4 2338 B16R1.1084 C[C@@H](OCc1ccc(cc1)Br)[C@H](N)C(=O)N 34a_100000003557_100000189115 [0,2,0,0,0,0|1,1,0]=4 2339 B16R1.1084 C[C@@H](OCc1ccc(cc1)Cl)[C@H](N)C(=O)N 34a_100000003557_100000694040 [0,2,0,0,0,0|1,1,0]=4 2340 B16R1.1084 C[C@@H](OCc1ccc(cc1)F)[C@H](N)C(=O)N 34a_100000003557_100000198546 [0,2,0,0,0,0|1,1,0]=4 2341 B16R1.1084 C[C@@H](OCc1ccc(cc1)I)[C@H](N)C(=O)N 34a_100000003557_100000189116 [0,2,0,0,0,0|1,1,0]=4 2342 B16R1.1084 Cc1ccc(cc1)CO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_100000210814 [0,2,0,0,0,0|1,1,0]=4 2343 B16R1.11391 CC(CNCc1ccc(cc1Br)Br)C(=O)O 269956a_100000749485_200012351560 [0,2,0,0,0,0|2,0,0]=4 2344 B16R1.11391 CC(CNCc1ccc(cc1Br)Cl)C(=O)O 269956a_100000749485_100000755608 [0,2,0,0,0,0|2,0,0]=4 2345 B16R1.11391 CC(CNCc1ccc(cc1Br)F)C(=O)O 269956a_100000749485_100000243222 [0,2,0,0,0,0|2,0,0]=4 2346 B16R1.11391 CC(CNCc1ccc(cc1Br)I)C(=O)O 269956a_100000749485_100010146610 [0,2,0,0,0,0|2,0,0]=4 2347 B16R1.11391 CC(CNCc1ccc(cc1Cl)Br)C(=O)O 269956a_100000749485_100011740631 [0,2,0,0,0,0|2,0,0]=4 2348 B16R1.11391 CC(CNCc1ccc(cc1Cl)Cl)C(=O)O 269956a_100000749485_100000188473 [0,2,0,0,0,0|2,0,0]=4 2349 B16R1.11391 CC(CNCc1ccc(cc1Cl)F)C(=O)O 269956a_100000749485_100000187853 [0,2,0,0,0,0|2,0,0]=4 2350 B16R1.11391 CC(CNCc1ccc(cc1F)Br)C(=O)O 269956a_100000749485_100000211606 [0,2,0,0,0,0|2,0,0]=4 2351 B16R1.11391 CC(CNCc1ccc(cc1F)Cl)C(=O)O 269956a_100000749485_100000709361 [0,2,0,0,0,0|2,0,0]=4 2352 B16R1.11391 CC(CNCc1ccc(cc1F)F)C(=O)O 269956a_100000749485_100000748237 [0,2,0,0,0,0|2,0,0]=4 2353 B16R1.11391 CC(CNCc1ccc(cc1F)I)C(=O)O 269956a_100000749485_100010244991 [0,2,0,0,0,0|2,0,0]=4 2354 B16R1.11391 CC(CNCc1ccc(cc1I)Br)C(=O)O 269956a_100000749485_100010146615 [0,2,0,0,0,0|2,0,0]=4 2355 B16R1.11391 CC(CNCc1ccc(cc1I)Cl)C(=O)O 269956a_100000749485_100010254388 [0,2,0,0,0,0|2,0,0]=4 2356 B16R1.11391 CC(CNCc1ccc(cc1I)F)C(=O)O 269956a_100000749485_100012354799 [0,2,0,0,0,0|2,0,0]=4 2357 B16R1.11391 Cc1cc(ccc1CNCC(C)C(=O)O)Br 269956a_100000749485_100000708836 [0,2,0,0,0,0|2,0,0]=4 2358 B16R1.11391 Cc1cc(ccc1CNCC(C)C(=O)O)Cl 269956a_100000749485_100012361307 [0,2,0,0,0,0|2,0,0]=4 2359 B16R1.11391 Cc1cc(ccc1CNCC(C)C(=O)O)F 269956a_100000749485_100000700533 [0,2,0,0,0,0|2,0,0]=4 2360 B16R1.11391 Cc1cc(ccc1CNCC(F)C(=O)O)Br 269956a_100000084737_100000708836 [0,2,0,0,0,0|2,0,0]=4 2361 B16R1.11391 Cc1cc(ccc1CNCC(F)C(=O)O)Cl 269956a_100000084737_100012361307 [0,2,0,0,0,0|2,0,0]=4 2362 B16R1.11391 Cc1cc(ccc1CNCC(F)C(=O)O)F 269956a_100000084737_100000700533 [0,2,0,0,0,0|2,0,0]=4 2363 B16R1.11391 Cc1cc(ccc1COC[C@H](N)C(=O)N)Br 34a_100000729942_100000708836 [0,2,0,0,0,0|1,1,0]=4 2364 B16R1.11391 Cc1cc(ccc1COC[C@H](N)C(=O)N)Cl 34a_100000729942_100012361307 [0,2,0,0,0,0|1,1,0]=4 2365 B16R1.11391 Cc1cc(ccc1COC[C@H](N)C(=O)N)F 34a_100000729942_100000700533 [0,2,0,0,0,0|1,1,0]=4 2366 B16R1.11391 Cc1ccc(c(c1)C)CNCC(C)C(=O)O 269956a_100000749485_100011219618 [0,2,0,0,0,0|2,0,0]=4 2367 B16R1.11391 Cc1ccc(c(c1)C)CNCC(F)C(=O)O 269956a_100000084737_100011219618 [0,2,0,0,0,0|2,0,0]=4 2368 B16R1.11391 Cc1ccc(c(c1)C)COC[C@H](N)C(=O)N 34a_100000729942_100011219618 [0,2,0,0,0,0|1,1,0]=4 2369 B16R1.11391 Cc1ccc(c(c1)Cl)CNCC(C)C(=O)O 269956a_100000749485_100012349684 [0,2,0,0,0,0|2,0,0]=4 2370 B16R1.11391 Cc1ccc(c(c1)Cl)CNCC(F)C(=O)O 269956a_100000084737_100012349684 [0,2,0,0,0,0|2,0,0]=4 2371 B16R1.11391 Cc1ccc(c(c1)Cl)COC[C@H](N)C(=O)N 34a_100000729942_100012349684 [0,2,0,0,0,0|1,1,0]=4 2372 B16R1.11391 Cc1ccc(c(c1)F)CNCC(C)C(=O)O 269956a_100000749485_100012002367 [0,2,0,0,0,0|2,0,0]=4 2373 B16R1.11391 Cc1ccc(c(c1)F)CNCC(F)C(=O)O 269956a_100000084737_100012002367 [0,2,0,0,0,0|2,0,0]=4 2374 B16R1.11391 Cc1ccc(c(c1)F)COC[C@H](N)C(=O)N 34a_100000729942_100012002367 [0,2,0,0,0,0|1,1,0]=4 2375 B16R1.11391 NC(=O)[C@@H](N)COCc1ccc(cc1Br)Br 34a_100000729942_200012351560 [0,2,0,0,0,0|1,1,0]=4 2376 B16R1.11391 NC(=O)[C@@H](N)COCc1ccc(cc1Br)Cl 34a_100000729942_100000755608 [0,2,0,0,0,0|1,1,0]=4 2377 B16R1.11391 NC(=O)[C@@H](N)COCc1ccc(cc1Br)F 34a_100000729942_100000243222 [0,2,0,0,0,0|1,1,0]=4 2378 B16R1.11391 NC(=O)[C@@H](N)COCc1ccc(cc1Br)I 34a_100000729942_100010146610 [0,2,0,0,0,0|1,1,0]=4 2379 B16R1.11391 NC(=O)[C@@H](N)COCc1ccc(cc1Cl)Br 34a_100000729942_100011740631 [0,2,0,0,0,0|1,1,0]=4 2380 B16R1.11391 NC(=O)[C@@H](N)COCc1ccc(cc1Cl)Cl 34a_100000729942_100000188473 [0,2,0,0,0,0|1,1,0]=4 2381 B16R1.11391 NC(=O)[C@@H](N)COCc1ccc(cc1Cl)F 34a_100000729942_100011216360 [0,2,0,0,0,0|1,1,0]=4 2382 B16R1.11391 NC(=O)[C@@H](N)COCc1ccc(cc1F)Br 34a_100000729942_100000211606 [0,2,0,0,0,0|1,1,0]=4 2383 B16R1.11391 NC(=O)[C@@H](N)COCc1ccc(cc1F)Cl 34a_100000729942_100000709361 [0,2,0,0,0,0|1,1,0]=4 2384 B16R1.11391 NC(=O)[C@@H](N)COCc1ccc(cc1F)F 34a_100000729942_100000748237 [0,2,0,0,0,0|1,1,0]=4 2385 B16R1.11391 NC(=O)[C@@H](N)COCc1ccc(cc1F)I 34a_100000729942_100010244991 [0,2,0,0,0,0|1,1,0]=4 2386 B16R1.11391 NC(=O)[C@@H](N)COCc1ccc(cc1I)Br 34a_100000729942_100010146615 [0,2,0,0,0,0|1,1,0]=4 2387 B16R1.11391 NC(=O)[C@@H](N)COCc1ccc(cc1I)Cl 34a_100000729942_100010254388 [0,2,0,0,0,0|1,1,0]=4 2388 B16R1.11391 NC(=O)[C@@H](N)COCc1ccc(cc1I)F 34a_100000729942_100012354799 [0,2,0,0,0,0|1,1,0]=4 2389 B16R1.11391 O=C(O)C(F)CNCc1ccc(cc1Br)Br 269956a_100000084737_200012351560 [0,2,0,0,0,0|2,0,0]=4 2390 B16R1.11391 O=C(O)C(F)CNCc1ccc(cc1Br)Cl 269956a_100000084737_100000755608 [0,2,0,0,0,0|2,0,0]=4 2391 B16R1.11391 O=C(O)C(F)CNCc1ccc(cc1Br)F 269956a_100000084737_100000243222 [0,2,0,0,0,0|2,0,0]=4 2392 B16R1.11391 O=C(O)C(F)CNCc1ccc(cc1Br)I 269956a_100000084737_100010146610 [0,2,0,0,0,0|2,0,0]=4 2393 B16R1.11391 O=C(O)C(F)CNCc1ccc(cc1Cl)Br 269956a_100000084737_100011740631 [0,2,0,0,0,0|2,0,0]=4 2394 B16R1.11391 O=C(O)C(F)CNCc1ccc(cc1Cl)Cl 269956a_100000084737_100000188473 [0,2,0,0,0,0|2,0,0]=4 2395 B16R1.11391 O=C(O)C(F)CNCc1ccc(cc1Cl)F 269956a_100000084737_100000187853 [0,2,0,0,0,0|2,0,0]=4 2396 B16R1.11391 O=C(O)C(F)CNCc1ccc(cc1F)Br 269956a_100000084737_100000211606 [0,2,0,0,0,0|2,0,0]=4 2397 B16R1.11391 O=C(O)C(F)CNCc1ccc(cc1F)Cl 269956a_100000084737_100000709361 [0,2,0,0,0,0|2,0,0]=4 2398 B16R1.11391 O=C(O)C(F)CNCc1ccc(cc1F)F 269956a_100000084737_100000748237 [0,2,0,0,0,0|2,0,0]=4 2399 B16R1.11391 O=C(O)C(F)CNCc1ccc(cc1F)I 269956a_100000084737_100010244991 [0,2,0,0,0,0|2,0,0]=4 2400 B16R1.11391 O=C(O)C(F)CNCc1ccc(cc1I)Br 269956a_100000084737_100010146615 [0,2,0,0,0,0|2,0,0]=4 2401 B16R1.11391 O=C(O)C(F)CNCc1ccc(cc1I)Cl 269956a_100000084737_100010254388 [0,2,0,0,0,0|2,0,0]=4 2402 B16R1.11391 O=C(O)C(F)CNCc1ccc(cc1I)F 269956a_100000084737_100012354799 [0,2,0,0,0,0|2,0,0]=4 2403 B16R1.16668 CC(C)(CNCc1ccc(cc1)Br)C(=O)O 269956a_100000693527_100011217064 [0,2,0,0,0,0|2,0,0]=4 2404 B16R1.16668 CC(C)(CNCc1ccc(cc1)Cl)C(=O)O 269956a_100000693527_100000187161 [0,2,0,0,0,0|2,0,0]=4 2405 B16R1.16668 CC(C)(CNCc1ccc(cc1)F)C(=O)O 269956a_100000693527_100000198546 [0,2,0,0,0,0|2,0,0]=4 2406 B16R1.16668 CC(C)(CNCc1ccc(cc1)I)C(=O)O 269956a_100000693527_100000189116 [0,2,0,0,0,0|2,0,0]=4 2407 B16R1.16668 CC(C)(CSCc1ccc(cc1)Br)C(=O)N 62a_100000189115_200009895572 [0,2,0,0,0,0|2,0,0]=4 2408 B16R1.16668 CC(C)(CSCc1ccc(cc1)Br)C(=O)N 62a_200009895572_100000189115 [0,2,0,0,0,0|2,0,0]=4 2409 B16R1.16668 CC(C)(CSCc1ccc(cc1)Cl)C(=O)N 62a_100000187161_200009895572 [0,2,0,0,0,0|2,0,0]=4 2410 B16R1.16668 CC(C)(CSCc1ccc(cc1)Cl)C(=O)N 62a_200009895572_100000187161 [0,2,0,0,0,0|2,0,0]=4 2411 B16R1.16668 CC(C)(CSCc1ccc(cc1)F)C(=O)N 62a_100000198546_200009895572 [0,2,0,0,0,0|2,0,0]=4 2412 B16R1.16668 CC(C)(CSCc1ccc(cc1)F)C(=O)N 62a_200009895572_100000187164 [0,2,0,0,0,0|2,0,0]=4 2413 B16R1.16668 CC(C)(CSCc1ccc(cc1)I)C(=O)N 62a_100000189116_200009895572 [0,2,0,0,0,0|2,0,0]=4 2414 B16R1.16668 CC(C)(CSCc1ccc(cc1)I)C(=O)N 62a_200009895572_100000189116 [0,2,0,0,0,0|2,0,0]=4 2415 B16R1.16668 Cc1ccc(cc1)CNCC(C)(C)C(=O)O 269956a_100000693527_100000210814 [0,2,0,0,0,0|2,0,0]=4 2416 B16R1.16668 Cc1ccc(cc1)CNCC(F)(F)C(=O)O 269956a_100000734215_100000210814 [0,2,0,0,0,0|2,0,0]=4 2417 B16R1.16668 Cc1ccc(cc1)CSCC(C)(C)C(=O)N 62a_100000210814_200009895572 [0,2,0,0,0,0|2,0,0]=4 2418 B16R1.16668 Cc1ccc(cc1)CSCC(C)(C)C(=O)N 62a_200009895572_100000210814 [0,2,0,0,0,0|2,0,0]=4 2419 B16R1.16668 O=C(O)C(F)(F)CNCc1ccc(cc1)Br 269956a_100000734215_100011217064 [0,2,0,0,0,0|2,0,0]=4 2420 B16R1.16668 O=C(O)C(F)(F)CNCc1ccc(cc1)Cl 269956a_100000734215_100000187161 [0,2,0,0,0,0|2,0,0]=4 2421 B16R1.16668 O=C(O)C(F)(F)CNCc1ccc(cc1)F 269956a_100000734215_100000198546 [0,2,0,0,0,0|2,0,0]=4 2422 B16R1.16668 O=C(O)C(F)(F)CNCc1ccc(cc1)I 269956a_100000734215_100000189116 [0,2,0,0,0,0|2,0,0]=4 2423 B16R1.42 CC(CNCc1cccc(c1)C#N)C(=O)O 269956a_100000749485_100000233786 [0,2,0,0,0,0|2,0,0]=4 2424 B16R1.42 CC(CNCc1cccc(c1)C=O)C(=O)O 269956a_100000749485_100009816774 [0,2,0,0,0,0|2,0,0]=4 2425 B16R1.42 CC(CNCc1cccc(c1)CO)C(=O)O 269956a_100000749485_100010188025 [0,2,0,0,0,0|2,0,0]=4 2426 B16R1.42 COc1cccc(c1)CNCC(C)C(=O)O 269956a_100000749485_100000211672 [0,2,0,0,0,0|2,0,0]=4 2427 B16R1.42 COc1cccc(c1)CNCC(F)C(=O)O 269956a_100000084737_100000211672 [0,2,0,0,0,0|2,0,0]=4 2428 B16R1.42 COc1cccc(c1)COC[C@H](N)C(=O)N 34a_100000729942_100000688526 [0,2,0,0,0,0|1,1,0]=4 2429 B16R1.42 N#Cc1cccc(c1)CNCC(F)C(=O)O 269956a_100000084737_100000233786 [0,2,0,0,0,0|2,0,0]=4 2430 B16R1.42 N#Cc1cccc(c1)COC[C@H](N)C(=O)N 34a_100000729942_100000233786 [0,2,0,0,0,0|1,1,0]=4 2431 B16R1.42 NC(=O)[C@@H](N)COCc1cccc(c1)C=O 34a_100000729942_100009816774 [0,2,0,0,0,0|1,1,0]=4 2432 B16R1.42 NC(=O)[C@@H](N)COCc1cccc(c1)CO 34a_100000729942_100010188025 [0,2,0,0,0,0|1,1,0]=4 2433 B16R1.42 O=C(O)C(F)CNCc1cccc(c1)CO 269956a_100000084737_100010188025 [0,2,0,0,0,0|2,0,0]=4 2434 B16R1.42 O=Cc1cccc(c1)CNCC(F)C(=O)O 269956a_100000084737_100009816774 [0,2,0,0,0,0|2,0,0]=4 2435 B16R1.86 CC(CNCc1cccc(c1Br)Cl)C(=O)O 269956a_100000749485_100010145525 [0,2,0,0,0,0|2,0,0]=4 2436 B16R1.86 CC(CNCc1cccc(c1Br)F)C(=O)O 269956a_100000749485_100012351116 [0,2,0,0,0,0|2,0,0]=4 2437 B16R1.86 CC(CNCc1cccc(c1Br)I)C(=O)O 269956a_100000749485_100010254545 [0,2,0,0,0,0|2,0,0]=4 2438 B16R1.86 CC(CNCc1cccc(c1Cl)Br)C(=O)O 269956a_100000749485_100012349491 [0,2,0,0,0,0|2,0,0]=4 2439 B16R1.86 CC(CNCc1cccc(c1Cl)Cl)C(=O)O 269956a_100000749485_100000720918 [0,2,0,0,0,0|2,0,0]=4 2440 B16R1.86 CC(CNCc1cccc(c1Cl)F)C(=O)O 269956a_100000749485_100000696688 [0,2,0,0,0,0|2,0,0]=4 2441 B16R1.86 CC(CNCc1cccc(c1F)Br)C(=O)O 269956a_100000749485_100012356506 [0,2,0,0,0,0|2,0,0]=4 2442 B16R1.86 CC(CNCc1cccc(c1F)Cl)C(=O)O 269956a_100000749485_100000716733 [0,2,0,0,0,0|2,0,0]=4 2443 B16R1.86 CC(CNCc1cccc(c1F)F)C(=O)O 269956a_100000749485_100000217499 [0,2,0,0,0,0|2,0,0]=4 2444 B16R1.86 CC(CNCc1cccc(c1I)F)C(=O)O 269956a_100000749485_100010149603 [0,2,0,0,0,0|2,0,0]=4 2445 B16R1.86 Cc1c(cccc1CNCC(C)C(=O)O)Br 269956a_100000749485_100000694682 [0,2,0,0,0,0|2,0,0]=4 2446 B16R1.86 Cc1c(cccc1CNCC(C)C(=O)O)Cl 269956a_100000749485_100012186920 [0,2,0,0,0,0|2,0,0]=4 2447 B16R1.86 Cc1c(cccc1CNCC(C)C(=O)O)F 269956a_100000749485_100009813626 [0,2,0,0,0,0|2,0,0]=4 2448 B16R1.86 Cc1c(cccc1CNCC(C)C(=O)O)I 269956a_100000749485_100010150147 [0,2,0,0,0,0|2,0,0]=4 2449 B16R1.86 Cc1c(cccc1CNCC(F)C(=O)O)Br 269956a_100000084737_100000694682 [0,2,0,0,0,0|2,0,0]=4 2450 B16R1.86 Cc1c(cccc1CNCC(F)C(=O)O)Cl 269956a_100000084737_100012186920 [0,2,0,0,0,0|2,0,0]=4 2451 B16R1.86 Cc1c(cccc1CNCC(F)C(=O)O)F 269956a_100000084737_100009813626 [0,2,0,0,0,0|2,0,0]=4 2452 B16R1.86 Cc1c(cccc1CNCC(F)C(=O)O)I 269956a_100000084737_100010150147 [0,2,0,0,0,0|2,0,0]=4 2453 B16R1.86 Cc1c(cccc1COC[C@H](N)C(=O)N)Br 34a_100000729942_100000694682 [0,2,0,0,0,0|1,1,0]=4 2454 B16R1.86 Cc1c(cccc1COC[C@H](N)C(=O)N)Cl 34a_100000729942_100012186920 [0,2,0,0,0,0|1,1,0]=4 2455 B16R1.86 Cc1c(cccc1COC[C@H](N)C(=O)N)F 34a_100000729942_100009813626 [0,2,0,0,0,0|1,1,0]=4 2456 B16R1.86 Cc1c(cccc1COC[C@H](N)C(=O)N)I 34a_100000729942_100010150147 [0,2,0,0,0,0|1,1,0]=4 2457 B16R1.86 Cc1cccc(c1Br)CNCC(C)C(=O)O 269956a_100000749485_200012349612 [0,2,0,0,0,0|2,0,0]=4 2458 B16R1.86 Cc1cccc(c1Br)CNCC(F)C(=O)O 269956a_100000084737_200012349612 [0,2,0,0,0,0|2,0,0]=4 2459 B16R1.86 Cc1cccc(c1Br)COC[C@H](N)C(=O)N 34a_100000729942_200012349612 [0,2,0,0,0,0|1,1,0]=4 2460 B16R1.86 Cc1cccc(c1C)CNCC(C)C(=O)O 269956a_100000749485_100011515928 [0,2,0,0,0,0|2,0,0]=4 2461 B16R1.86 Cc1cccc(c1C)CNCC(F)C(=O)O 269956a_100000084737_100011515928 [0,2,0,0,0,0|2,0,0]=4 2462 B16R1.86 Cc1cccc(c1C)COC[C@H](N)C(=O)N 34a_100000729942_100011273979 [0,2,0,0,0,0|1,1,0]=4 2463 B16R1.86 Cc1cccc(c1F)CNCC(C)C(=O)O 269956a_100000749485_100011216058 [0,2,0,0,0,0|2,0,0]=4 2464 B16R1.86 Cc1cccc(c1F)CNCC(F)C(=O)O 269956a_100000084737_100011216058 [0,2,0,0,0,0|2,0,0]=4 2465 B16R1.86 Cc1cccc(c1F)COC[C@H](N)C(=O)N 34a_100000729942_100011216058 [0,2,0,0,0,0|1,1,0]=4 2466 B16R1.86 NC(=O)[C@@H](N)COCc1cccc(c1Br)Cl 34a_100000729942_100010145525 [0,2,0,0,0,0|1,1,0]=4 2467 B16R1.86 NC(=O)[C@@H](N)COCc1cccc(c1Br)F 34a_100000729942_100012351116 [0,2,0,0,0,0|1,1,0]=4 2468 B16R1.86 NC(=O)[C@@H](N)COCc1cccc(c1Br)I 34a_100000729942_100010254545 [0,2,0,0,0,0|1,1,0]=4 2469 B16R1.86 NC(=O)[C@@H](N)COCc1cccc(c1Cl)Br 34a_100000729942_100012349491 [0,2,0,0,0,0|1,1,0]=4 2470 B16R1.86 NC(=O)[C@@H](N)COCc1cccc(c1Cl)Cl 34a_100000729942_100000723366 [0,2,0,0,0,0|1,1,0]=4 2471 B16R1.86 NC(=O)[C@@H](N)COCc1cccc(c1Cl)F 34a_100000729942_100000696688 [0,2,0,0,0,0|1,1,0]=4 2472 B16R1.86 NC(=O)[C@@H](N)COCc1cccc(c1F)Br 34a_100000729942_100012356506 [0,2,0,0,0,0|1,1,0]=4 2473 B16R1.86 NC(=O)[C@@H](N)COCc1cccc(c1F)Cl 34a_100000729942_100000716733 [0,2,0,0,0,0|1,1,0]=4 2474 B16R1.86 NC(=O)[C@@H](N)COCc1cccc(c1F)F 34a_100000729942_100000217499 [0,2,0,0,0,0|1,1,0]=4 2475 B16R1.86 NC(=O)[C@@H](N)COCc1cccc(c1I)F 34a_100000729942_100010149603 [0,2,0,0,0,0|1,1,0]=4 2476 B16R1.86 O=C(O)C(F)CNCc1cccc(c1Br)Cl 269956a_100000084737_100010145525 [0,2,0,0,0,0|2,0,0]=4 2477 B16R1.86 O=C(O)C(F)CNCc1cccc(c1Br)F 269956a_100000084737_100012351116 [0,2,0,0,0,0|2,0,0]=4 2478 B16R1.86 O=C(O)C(F)CNCc1cccc(c1Br)I 269956a_100000084737_100010254545 [0,2,0,0,0,0|2,0,0]=4 2479 B16R1.86 O=C(O)C(F)CNCc1cccc(c1Cl)Br 269956a_100000084737_100012349491 [0,2,0,0,0,0|2,0,0]=4 2480 B16R1.86 O=C(O)C(F)CNCc1cccc(c1Cl)Cl 269956a_100000084737_100000720918 [0,2,0,0,0,0|2,0,0]=4 2481 B16R1.86 O=C(O)C(F)CNCc1cccc(c1Cl)F 269956a_100000084737_100000696688 [0,2,0,0,0,0|2,0,0]=4 2482 B16R1.86 O=C(O)C(F)CNCc1cccc(c1F)Br 269956a_100000084737_100012356506 [0,2,0,0,0,0|2,0,0]=4 2483 B16R1.86 O=C(O)C(F)CNCc1cccc(c1F)Cl 269956a_100000084737_100000716733 [0,2,0,0,0,0|2,0,0]=4 2484 B16R1.86 O=C(O)C(F)CNCc1cccc(c1F)F 269956a_100000084737_100000217499 [0,2,0,0,0,0|2,0,0]=4 2485 B16R1.86 O=C(O)C(F)CNCc1cccc(c1I)F 269956a_100000084737_100010149603 [0,2,0,0,0,0|2,0,0]=4 2486 B16R1.1622 C=C(CSCc1cccc(c1)Br)C(=O)OC 62a_100000211773_100009813391 [0,2,0,0,0,0|1,0,1]=4 2487 B16R1.1622 C=C(CSCc1cccc(c1)Br)C(=O)OC 62a_100009813391_100000211773 [0,2,0,0,0,0|1,0,1]=4 2488 B16R1.1622 C=C(CSCc1cccc(c1)C)C(=O)OC 62a_100000211840_100009813391 [0,2,0,0,0,0|1,0,1]=4 2489 B16R1.1622 C=C(CSCc1cccc(c1)C)C(=O)OC 62a_100009813391_100000211840 [0,2,0,0,0,0|1,0,1]=4 2490 B16R1.1622 C=C(CSCc1cccc(c1)Cl)C(=O)OC 62a_100000187163_100009813391 [0,2,0,0,0,0|1,0,1]=4 2491 B16R1.1622 C=C(CSCc1cccc(c1)Cl)C(=O)OC 62a_100009813391_100000187163 [0,2,0,0,0,0|1,0,1]=4 2492 B16R1.1622 C=C(CSCc1cccc(c1)F)C(=O)OC 62a_100000230114_100009813391 [0,2,0,0,0,0|1,0,1]=4 2493 B16R1.1622 C=C(CSCc1cccc(c1)F)C(=O)OC 62a_100009813391_100000230114 [0,2,0,0,0,0|1,0,1]=4 2494 B16R1.1622 C=C(CSCc1cccc(c1)I)C(=O)OC 62a_100009813391_100011218688 [0,2,0,0,0,0|1,0,1]=4 2495 B16R1.1622 C=C(CSCc1cccc(c1)I)C(=O)OC 62a_100011218688_100009813391 [0,2,0,0,0,0|1,0,1]=4 2496 B16R1.1622 C=C(CSCc1cccc(c1)O)C(=O)OC 62a_100009813391_100011660834 [0,2,0,0,0,0|1,0,1]=4 2497 B16R1.1622 C=C(CSCc1cccc(c1)O)C(=O)OC 62a_100011660834_100009813391 [0,2,0,0,0,0|1,0,1]=4 2498 B16R1.1622 COC(=O)C(=O)CSCc1cccc(c1)Br 62a_100000211773_100011610305 [0,2,0,0,0,0|1,0,1]=4 2499 B16R1.1622 COC(=O)C(=O)CSCc1cccc(c1)Br 62a_100011610305_100000211773 [0,2,0,0,0,0|1,0,1]=4 2500 B16R1.1622 COC(=O)C(=O)CSCc1cccc(c1)C 62a_100000211840_100011610305 [0,2,0,0,0,0|1,0,1]=4 2501 B16R1.1622 COC(=O)C(=O)CSCc1cccc(c1)C 62a_100011610305_100000211840 [0,2,0,0,0,0|1,0,1]=4 2502 B16R1.1622 COC(=O)C(=O)CSCc1cccc(c1)Cl 62a_100000187163_100011610305 [0,2,0,0,0,0|1,0,1]=4 2503 B16R1.1622 COC(=O)C(=O)CSCc1cccc(c1)Cl 62a_100011610305_100000187163 [0,2,0,0,0,0|1,0,1]=4 2504 B16R1.1622 COC(=O)C(=O)CSCc1cccc(c1)F 62a_100000230114_100011610305 [0,2,0,0,0,0|1,0,1]=4 2505 B16R1.1622 COC(=O)C(=O)CSCc1cccc(c1)F 62a_100011610305_100000230114 [0,2,0,0,0,0|1,0,1]=4 2506 B16R1.1622 COC(=O)C(=O)CSCc1cccc(c1)I 62a_100011218688_100011610305 [0,2,0,0,0,0|1,0,1]=4 2507 B16R1.1622 COC(=O)C(=O)CSCc1cccc(c1)I 62a_100011610305_100011218688 [0,2,0,0,0,0|1,0,1]=4 2508 B16R1.1622 COC(=O)C(=O)CSCc1cccc(c1)O 62a_100011610305_100011660834 [0,2,0,0,0,0|1,0,1]=4 2509 B16R1.1622 COC(=O)C(=O)CSCc1cccc(c1)O 62a_100011660834_100011610305 [0,2,0,0,0,0|1,0,1]=4 2510 B16R1.1622 COC(=O)C(C)CNCc1cccc(c1)Br 34a_100000174977_100000698445 [0,2,0,0,0,0|2,0,0]=4 2511 B16R1.1622 COC(=O)C(C)CNCc1cccc(c1)C 34a_100000185548_100000698445 [0,2,0,0,0,0|2,0,0]=4 2512 B16R1.1622 COC(=O)C(C)CNCc1cccc(c1)Cl 34a_100000174878_100000698445 [0,2,0,0,0,0|2,0,0]=4 2513 B16R1.1622 COC(=O)C(C)CNCc1cccc(c1)F 34a_100000174948_100000698445 [0,2,0,0,0,0|2,0,0]=4 2514 B16R1.1622 COC(=O)C(C)CNCc1cccc(c1)I 34a_100000106179_100000698445 [0,2,0,0,0,0|2,0,0]=4 2515 B16R1.1622 COC(=O)C(C)CNCc1cccc(c1)O 34a_100000743036_100000698445 [0,2,0,0,0,0|2,0,0]=4 2516 B16R1.1622 COC(=O)C(C)COCc1cccc(c1)Br 34a_100000687537_100000698445 [0,2,0,0,0,0|1,1,0]=4 2517 B16R1.1622 COC(=O)C(C)COCc1cccc(c1)Br 34a_100000749362_100000698116 [0,2,0,0,0,0|1,1,0]=4 2518 B16R1.1622 COC(=O)C(C)COCc1cccc(c1)Br 7a_100000749362_100000211773 [0,2,0,0,0,0|1,1,0]=4 2519 B16R1.1622 COC(=O)C(C)COCc1cccc(c1)C 34a_100000749362_100000211840 [0,2,0,0,0,0|1,1,0]=4 2520 B16R1.1622 COC(=O)C(C)COCc1cccc(c1)C 34a_100011217746_100000698445 [0,2,0,0,0,0|1,1,0]=4 2521 B16R1.1622 COC(=O)C(C)COCc1cccc(c1)C 7a_100000749362_100000211840 [0,2,0,0,0,0|1,1,0]=4 2522 B16R1.1622 COC(=O)C(C)COCc1cccc(c1)Cl 34a_100000241301_100000698445 [0,2,0,0,0,0|1,1,0]=4 2523 B16R1.1622 COC(=O)C(C)COCc1cccc(c1)Cl 34a_100000749362_100000187163 [0,2,0,0,0,0|1,1,0]=4 2524 B16R1.1622 COC(=O)C(C)COCc1cccc(c1)Cl 7a_100000749362_100000187163 [0,2,0,0,0,0|1,1,0]=4 2525 B16R1.1622 COC(=O)C(C)COCc1cccc(c1)F 34a_100000210976_100000698445 [0,2,0,0,0,0|1,1,0]=4 2526 B16R1.1622 COC(=O)C(C)COCc1cccc(c1)F 34a_100000749362_100000187166 [0,2,0,0,0,0|1,1,0]=4 2527 B16R1.1622 COC(=O)C(C)COCc1cccc(c1)F 7a_100000749362_100000230114 [0,2,0,0,0,0|1,1,0]=4 2528 B16R1.1622 COC(=O)C(C)COCc1cccc(c1)I 34a_100000749362_100011218688 [0,2,0,0,0,0|1,1,0]=4 2529 B16R1.1622 COC(=O)C(C)COCc1cccc(c1)I 34a_100011215336_100000698445 [0,2,0,0,0,0|1,1,0]=4 2530 B16R1.1622 COC(=O)C(C)COCc1cccc(c1)I 7a_100000749362_100011218688 [0,2,0,0,0,0|1,1,0]=4 2531 B16R1.1622 COC(=O)C(C)COCc1cccc(c1)N 34a_100000211919_100000698445 [0,2,0,0,0,0|1,1,0]=4 2532 B16R1.1622 COC(=O)C(C)COCc1cccc(c1)O 34a_100000749362_100011660834 [0,2,0,0,0,0|1,1,0]=4 2533 B16R1.1622 COC(=O)C(C)COCc1cccc(c1)O 7a_100000749362_100000084143 [0,2,0,0,0,0|1,1,0]=4 2534 B16R1.1622 COC(=O)C(C)CSCc1cc(ccn1)Br 62a_100000698445_100010173614 [0,2,0,0,0,0|2,0,0]=4 2535 B16R1.1622 COC(=O)C(C)CSCc1cc(ccn1)Br 62a_100010173614_100000698445 [0,2,0,0,0,0|2,0,0]=4 2536 B16R1.1622 COC(=O)C(C)CSCc1cc(ccn1)C 62a_100000698445_100000718516 [0,2,0,0,0,0|2,0,0]=4 2537 B16R1.1622 COC(=O)C(C)CSCc1cc(ccn1)C 62a_100000718516_100000698445 [0,2,0,0,0,0|2,0,0]=4 2538 B16R1.1622 COC(=O)C(C)CSCc1cc(ccn1)Cl 62a_100000698445_100016988179 [0,2,0,0,0,0|2,0,0]=4 2539 B16R1.1622 COC(=O)C(C)CSCc1cc(ccn1)Cl 62a_100016988179_100000698445 [0,2,0,0,0,0|2,0,0]=4 2540 B16R1.1622 COC(=O)C(C)CSCc1cccc(c1)Br 62a_100000211773_100000698445 [0,2,0,0,0,0|1,0,0]=3 2541 B16R1.1622 COC(=O)C(C)CSCc1cccc(c1)Br 62a_100000698445_100000211773 [0,2,0,0,0,0|1,0,0]=3 2542 B16R1.1622 COC(=O)C(C)CSCc1cccc(c1)C 62a_100000211840_100000698445 [0,2,0,0,0,0|1,0,0]=3 2543 B16R1.1622 COC(=O)C(C)CSCc1cccc(c1)C 62a_100000698445_100000211840 [0,2,0,0,0,0|1,0,0]=3 2544 B16R1.1622 COC(=O)C(C)CSCc1cccc(c1)Cl 62a_100000187163_100000698445 [0,2,0,0,0,0|1,0,0]=3 2545 B16R1.1622 COC(=O)C(C)CSCc1cccc(c1)Cl 62a_100000698445_100000187163 [0,2,0,0,0,0|1,0,0]=3 2546 B16R1.1622 COC(=O)C(C)CSCc1cccc(c1)F 62a_100000230114_100000698445 [0,2,0,0,0,0|1,0,0]=3 2547 B16R1.1622 COC(=O)C(C)CSCc1cccc(c1)F 62a_100000698445_100000230114 [0,2,0,0,0,0|1,0,0]=3 2548 B16R1.1622 COC(=O)C(C)CSCc1cccc(c1)I 62a_100000698445_100011218688 [0,2,0,0,0,0|1,0,0]=3 2549 B16R1.1622 COC(=O)C(C)CSCc1cccc(c1)I 62a_100011218688_100000698445 [0,2,0,0,0,0|1,0,0]=3 2550 B16R1.1622 COC(=O)C(C)CSCc1cccc(c1)O 62a_100000698445_100011660834 [0,2,0,0,0,0|1,0,0]=3 2551 B16R1.1622 COC(=O)C(C)CSCc1cccc(c1)O 62a_100011660834_100000698445 [0,2,0,0,0,0|1,0,0]=3 2552 B16R1.1622 COC(=O)C(C)CSCc1cccc(n1)Br 62a_100000698445_100009889011 [0,2,0,0,0,0|2,0,0]=4 2553 B16R1.1622 COC(=O)C(C)CSCc1cccc(n1)Br 62a_100009889011_100000698445 [0,2,0,0,0,0|2,0,0]=4 2554 B16R1.1622 COC(=O)C(C)CSCc1cccc(n1)C 62a_100000698445_100000757606 [0,2,0,0,0,0|2,0,0]=4 2555 B16R1.1622 COC(=O)C(C)CSCc1cccc(n1)C 62a_100000757606_100000698445 [0,2,0,0,0,0|2,0,0]=4 2556 B16R1.1622 COC(=O)C(C)CSCc1cccc(n1)Cl 62a_100000086093_100000698445 [0,2,0,0,0,0|2,0,0]=4 2557 B16R1.1622 COC(=O)C(C)CSCc1cccc(n1)Cl 62a_100000698445_100000086093 [0,2,0,0,0,0|2,0,0]=4 2558 B16R1.1622 COC(=O)C(C)CSCc1cccc(n1)F 62a_100000698445_100009819644 [0,2,0,0,0,0|2,0,0]=4 2559 B16R1.1622 COC(=O)C(C)CSCc1cccc(n1)F 62a_100009819644_100000698445 [0,2,0,0,0,0|2,0,0]=4 2560 B16R1.1622 COC(=O)C(C)CSCc1ccnc(c1)Br 62a_100000698445_100010243470 [0,2,0,0,0,0|2,0,0]=4 2561 B16R1.1622 COC(=O)C(C)CSCc1ccnc(c1)Br 62a_100010254460_100000698445 [0,2,0,0,0,0|2,0,0]=4 2562 B16R1.1622 COC(=O)C(C)CSCc1ccnc(c1)C 62a_100000698445_200020672517 [0,2,0,0,0,0|2,0,0]=4 2563 B16R1.1622 COC(=O)C(C)CSCc1ccnc(c1)C 62a_200020672517_100000698445 [0,2,0,0,0,0|2,0,0]=4 2564 B16R1.1622 COC(=O)C(C)CSCc1ccnc(c1)Cl 62a_100000698445_100000764220 [0,2,0,0,0,0|2,0,0]=4 2565 B16R1.1622 COC(=O)C(C)CSCc1ccnc(c1)Cl 62a_100000764220_100000698445 [0,2,0,0,0,0|2,0,0]=4 2566 B16R1.1622 COC(=O)C(C)CSCc1cncc(c1)Br 62a_100000698445_100000738771 [0,2,0,0,0,0|2,0,0]=4 2567 B16R1.1622 COC(=O)C(C)CSCc1cncc(c1)Br 62a_100000738771_100000698445 [0,2,0,0,0,0|2,0,0]=4 2568 B16R1.1622 COC(=O)C(C)CSCc1cncc(c1)C 62a_100000698445_100000716715 [0,2,0,0,0,0|2,0,0]=4 2569 B16R1.1622 COC(=O)C(C)CSCc1cncc(c1)C 62a_100000716715_100000698445 [0,2,0,0,0,0|2,0,0]=4 2570 B16R1.1622 COC(=O)C(C)CSCc1cncc(c1)Cl 62a_100000698445_100016992070 [0,2,0,0,0,0|2,0,0]=4 2571 B16R1.1622 COC(=O)C(C)CSCc1cncc(c1)Cl 62a_100016992070_100000698445 [0,2,0,0,0,0|2,0,0]=4 2572 B16R1.1622 COC(=O)C(C)CSCc1cncc(c1)F 62a_100000698445_100000725299 [0,2,0,0,0,0|2,0,0]=4 2573 B16R1.1622 COC(=O)C(C)CSCc1cncc(c1)F 62a_100000725299_100000698445 [0,2,0,0,0,0|2,0,0]=4 2574 B16R1.1622 COC(=O)C(F)COCc1cccc(c1)Br 34a_200009849844_100000698116 [0,2,0,0,0,0|1,1,0]=4 2575 B16R1.1622 COC(=O)C(F)COCc1cccc(c1)C 34a_200009849844_100000211840 [0,2,0,0,0,0|1,1,0]=4 2576 B16R1.1622 COC(=O)C(F)COCc1cccc(c1)Cl 34a_200009849844_100000187163 [0,2,0,0,0,0|1,1,0]=4 2577 B16R1.1622 COC(=O)C(F)COCc1cccc(c1)F 34a_200009849844_100000187166 [0,2,0,0,0,0|1,1,0]=4 2578 B16R1.1622 COC(=O)C(F)COCc1cccc(c1)I 34a_200009849844_100011218688 [0,2,0,0,0,0|1,1,0]=4 2579 B16R1.1622 COC(=O)C(F)COCc1cccc(c1)O 34a_200009849844_100011660834 [0,2,0,0,0,0|1,1,0]=4 2580 B16R1.1622 COC(=O)[C@H](N)COCc1cc(ccn1)Br 34a_100000003586_100010173614 [0,2,0,0,0,0|1,1,0]=4 2581 B16R1.1622 COC(=O)[C@H](N)COCc1cc(ccn1)C 34a_100000003586_100000718516 [0,2,0,0,0,0|1,1,0]=4 2582 B16R1.1622 COC(=O)[C@H](N)COCc1cc(ccn1)Cl 34a_100000003586_100016988179 [0,2,0,0,0,0|1,1,0]=4 2583 B16R1.1622 COC(=O)[C@H](N)COCc1cccc(c1)Br 34a_100000003586_100000698116 [0,2,0,0,0,0|0,1,0]=3 2584 B16R1.1622 COC(=O)[C@H](N)COCc1cccc(c1)C 34a_100000003586_100000211840 [0,2,0,0,0,0|0,1,0]=3 2585 B16R1.1622 COC(=O)[C@H](N)COCc1cccc(c1)Cl 34a_100000003586_100000187163 [0,2,0,0,0,0|0,1,0]=3 2586 B16R1.1622 COC(=O)[C@H](N)COCc1cccc(c1)F 34a_100000003586_100000187166 [0,2,0,0,0,0|0,1,0]=3 2587 B16R1.1622 COC(=O)[C@H](N)COCc1cccc(c1)I 34a_100000003586_100011218688 [0,2,0,0,0,0|0,1,0]=3 2588 B16R1.1622 COC(=O)[C@H](N)COCc1cccc(c1)O 34a_100000003586_100011660834 [0,2,0,0,0,0|0,1,0]=3 2589 B16R1.1622 COC(=O)[C@H](N)COCc1cccc(n1)Br 34a_100000003586_100009889011 [0,2,0,0,0,0|1,1,0]=4 2590 B16R1.1622 COC(=O)[C@H](N)COCc1cccc(n1)C 34a_100000003586_100000757606 [0,2,0,0,0,0|1,1,0]=4 2591 B16R1.1622 COC(=O)[C@H](N)COCc1cccc(n1)Cl 34a_100000003586_100000086093 [0,2,0,0,0,0|1,1,0]=4 2592 B16R1.1622 COC(=O)[C@H](N)COCc1cccc(n1)F 34a_100000003586_100009819644 [0,2,0,0,0,0|1,1,0]=4 2593 B16R1.1622 COC(=O)[C@H](N)COCc1ccnc(c1)Br 34a_100000003586_100010243470 [0,2,0,0,0,0|1,1,0]=4 2594 B16R1.1622 COC(=O)[C@H](N)COCc1ccnc(c1)C 34a_100000003586_200020672517 [0,2,0,0,0,0|1,1,0]=4 2595 B16R1.1622 COC(=O)[C@H](N)COCc1ccnc(c1)Cl 34a_100000003586_100000764220 [0,2,0,0,0,0|1,1,0]=4 2596 B16R1.1622 COC(=O)[C@H](N)COCc1cncc(c1)Br 34a_100000003586_100000738771 [0,2,0,0,0,0|1,1,0]=4 2597 B16R1.1622 COC(=O)[C@H](N)COCc1cncc(c1)C 34a_100000003586_100000716715 [0,2,0,0,0,0|1,1,0]=4 2598 B16R1.1622 COC(=O)[C@H](N)COCc1cncc(c1)Cl 34a_100000003586_100016992070 [0,2,0,0,0,0|1,1,0]=4 2599 B16R1.1622 COC(=O)[C@H](N)COCc1cncc(c1)F 34a_100000003586_100000725299 [0,2,0,0,0,0|1,1,0]=4 2600 B16R1.1622 Cc1cccc(c1)COCC(N)C(=O)NN 34a_100016989258_100000211840 [0,2,0,0,0,0|1,1,0]=4 2601 B16R1.1622 NNC(=O)C(N)COCc1cccc(c1)Br 34a_100016989258_100000698116 [0,2,0,0,0,0|1,1,0]=4 2602 B16R1.1622 NNC(=O)C(N)COCc1cccc(c1)Cl 34a_100016989258_100000187163 [0,2,0,0,0,0|1,1,0]=4 2603 B16R1.1622 NNC(=O)C(N)COCc1cccc(c1)F 34a_100016989258_100000187166 [0,2,0,0,0,0|1,1,0]=4 2604 B16R1.1622 NNC(=O)C(N)COCc1cccc(c1)I 34a_100016989258_100011218688 [0,2,0,0,0,0|1,1,0]=4 2605 B16R1.1622 NNC(=O)C(N)COCc1cccc(c1)O 34a_100016989258_100011660834 [0,2,0,0,0,0|1,1,0]=4 2606 B16R1.6862 CC(CNCc1cc(cc(c1)Br)Br)C(=O)O 269956a_100000749485_100011216082 [0,2,0,0,0,0|2,0,0]=4 2607 B16R1.6862 CC(CNCc1cc(cc(c1)Br)F)C(=O)O 269956a_100000749485_100000766940 [0,2,0,0,0,0|2,0,0]=4 2608 B16R1.6862 CC(CNCc1cc(cc(c1)Cl)Cl)C(=O)O 269956a_100000749485_100011219208 [0,2,0,0,0,0|2,0,0]=4 2609 B16R1.6862 CC(CNCc1cc(cc(c1)Cl)F)C(=O)O 269956a_100000749485_100011219885 [0,2,0,0,0,0|2,0,0]=4 2610 B16R1.6862 CC(CNCc1cc(cc(c1)F)F)C(=O)O 269956a_100000749485_100000697002 [0,2,0,0,0,0|2,0,0]=4 2611 B16R1.6862 CC(CNCc1cc(cc(c1)I)Br)C(=O)O 269956a_100000749485_100010146614 [0,2,0,0,0,0|2,0,0]=4 2612 B16R1.6862 CC(CNCc1cc(cc(c1)I)F)C(=O)O 269956a_100000749485_100010149605 [0,2,0,0,0,0|2,0,0]=4 2613 B16R1.6862 Cc1cc(cc(c1)CNCC(C)C(=O)O)Br 269956a_100000749485_100012348363 [0,2,0,0,0,0|2,0,0]=4 2614 B16R1.6862 Cc1cc(cc(c1)CNCC(C)C(=O)O)C 269956a_100000749485_100000181317 [0,2,0,0,0,0|2,0,0]=4 2615 B16R1.6862 Cc1cc(cc(c1)CNCC(C)C(=O)O)F 269956a_100000749485_100011219130 [0,2,0,0,0,0|2,0,0]=4 2616 B16R1.6862 Cc1cc(cc(c1)CNCC(F)C(=O)O)Br 269956a_100000084737_100012348363 [0,2,0,0,0,0|2,0,0]=4 2617 B16R1.6862 Cc1cc(cc(c1)CNCC(F)C(=O)O)C 269956a_100000084737_100000181317 [0,2,0,0,0,0|2,0,0]=4 2618 B16R1.6862 Cc1cc(cc(c1)CNCC(F)C(=O)O)F 269956a_100000084737_100011219130 [0,2,0,0,0,0|2,0,0]=4 2619 B16R1.6862 Cc1cc(cc(c1)COC[C@H](N)C(=O)N)Br 34a_100000729942_100012348363 [0,2,0,0,0,0|1,1,0]=4 2620 B16R1.6862 Cc1cc(cc(c1)COC[C@H](N)C(=O)N)C 34a_100000729942_100000181317 [0,2,0,0,0,0|1,1,0]=4 2621 B16R1.6862 Cc1cc(cc(c1)COC[C@H](N)C(=O)N)F 34a_100000729942_100011219130 [0,2,0,0,0,0|1,1,0]=4 2622 B16R1.6862 NC(=O)[C@@H](N)COCc1cc(cc(c1)Br)Br 34a_100000729942_100011216082 [0,2,0,0,0,0|1,1,0]=4 2623 B16R1.6862 NC(=O)[C@@H](N)COCc1cc(cc(c1)Br)F 34a_100000729942_100000766940 [0,2,0,0,0,0|1,1,0]=4 2624 B16R1.6862 NC(=O)[C@@H](N)COCc1cc(cc(c1)Cl)F 34a_100000729942_100011219885 [0,2,0,0,0,0|1,1,0]=4 2625 B16R1.6862 NC(=O)[C@@H](N)COCc1cc(cc(c1)F)F 34a_100000729942_100000697002 [0,2,0,0,0,0|1,1,0]=4 2626 B16R1.6862 NC(=O)[C@@H](N)COCc1cc(cc(c1)I)Br 34a_100000729942_100010146614 [0,2,0,0,0,0|1,1,0]=4 2627 B16R1.6862 NC(=O)[C@@H](N)COCc1cc(cc(c1)I)F 34a_100000729942_100010149605 [0,2,0,0,0,0|1,1,0]=4 2628 B16R1.6862 O=C(O)C(F)CNCc1cc(cc(c1)Br)Br 269956a_100000084737_100011216082 [0,2,0,0,0,0|2,0,0]=4 2629 B16R1.6862 O=C(O)C(F)CNCc1cc(cc(c1)Br)F 269956a_100000084737_100000766940 [0,2,0,0,0,0|2,0,0]=4 2630 B16R1.6862 O=C(O)C(F)CNCc1cc(cc(c1)Cl)Cl 269956a_100000084737_100011219208 [0,2,0,0,0,0|2,0,0]=4 2631 B16R1.6862 O=C(O)C(F)CNCc1cc(cc(c1)Cl)F 269956a_100000084737_100011219885 [0,2,0,0,0,0|2,0,0]=4 2632 B16R1.6862 O=C(O)C(F)CNCc1cc(cc(c1)F)F 269956a_100000084737_100000697002 [0,2,0,0,0,0|2,0,0]=4 2633 B16R1.6862 O=C(O)C(F)CNCc1cc(cc(c1)I)Br 269956a_100000084737_100010146614 [0,2,0,0,0,0|2,0,0]=4 2634 B16R1.6862 O=C(O)C(F)CNCc1cc(cc(c1)I)F 269956a_100000084737_100010149605 [0,2,0,0,0,0|2,0,0]=4 2635 B16R1.7293 CC(C)(CNCc1cccc(c1)Br)C(=O)O 269956a_100000693527_100000211773 [0,2,0,0,0,0|2,0,0]=4 2636 B16R1.7293 CC(C)(CNCc1cccc(c1)Cl)C(=O)O 269956a_100000693527_100000187163 [0,2,0,0,0,0|2,0,0]=4 2637 B16R1.7293 CC(C)(CNCc1cccc(c1)F)C(=O)O 269956a_100000693527_100000230114 [0,2,0,0,0,0|2,0,0]=4 2638 B16R1.7293 CC(C)(CNCc1cccc(c1)I)C(=O)O 269956a_100000693527_100011218688 [0,2,0,0,0,0|2,0,0]=4 2639 B16R1.7293 CC(C)(CNCc1cccc(c1)O)C(=O)O 269956a_100000693527_100011660834 [0,2,0,0,0,0|2,0,0]=4 2640 B16R1.7293 CC(C)(CSCc1cccc(c1)Br)C(=O)N 62a_100000211773_200009895572 [0,2,0,0,0,0|2,0,0]=4 2641 B16R1.7293 CC(C)(CSCc1cccc(c1)Br)C(=O)N 62a_200009895572_100000211773 [0,2,0,0,0,0|2,0,0]=4 2642 B16R1.7293 CC(C)(CSCc1cccc(c1)Cl)C(=O)N 62a_100000187163_200009895572 [0,2,0,0,0,0|2,0,0]=4 2643 B16R1.7293 CC(C)(CSCc1cccc(c1)Cl)C(=O)N 62a_200009895572_100000187163 [0,2,0,0,0,0|2,0,0]=4 2644 B16R1.7293 CC(C)(CSCc1cccc(c1)F)C(=O)N 62a_100000230114_200009895572 [0,2,0,0,0,0|2,0,0]=4 2645 B16R1.7293 CC(C)(CSCc1cccc(c1)F)C(=O)N 62a_200009895572_100000230114 [0,2,0,0,0,0|2,0,0]=4 2646 B16R1.7293 CC(C)(CSCc1cccc(c1)I)C(=O)N 62a_100011218688_200009895572 [0,2,0,0,0,0|2,0,0]=4 2647 B16R1.7293 CC(C)(CSCc1cccc(c1)I)C(=O)N 62a_200009895572_100011218688 [0,2,0,0,0,0|2,0,0]=4 2648 B16R1.7293 CC(C)(CSCc1cccc(c1)O)C(=O)N 62a_100011660834_200009895572 [0,2,0,0,0,0|2,0,0]=4 2649 B16R1.7293 CC(C)(CSCc1cccc(c1)O)C(=O)N 62a_200009895572_100011660834 [0,2,0,0,0,0|2,0,0]=4 2650 B16R1.7293 Cc1cccc(c1)CNCC(C)(C)C(=O)O 269956a_100000693527_100000005736 [0,2,0,0,0,0|2,0,0]=4 2651 B16R1.7293 Cc1cccc(c1)CNCC(F)(F)C(=O)O 269956a_100000734215_100000005736 [0,2,0,0,0,0|2,0,0]=4 2652 B16R1.7293 Cc1cccc(c1)CSCC(C)(C)C(=O)N 62a_100000211840_200009895572 [0,2,0,0,0,0|2,0,0]=4 2653 B16R1.7293 Cc1cccc(c1)CSCC(C)(C)C(=O)N 62a_200009895572_100000211840 [0,2,0,0,0,0|2,0,0]=4 2654 B16R1.7293 O=C(O)C(F)(F)CNCc1cccc(c1)Br 269956a_100000734215_100000211773 [0,2,0,0,0,0|2,0,0]=4 2655 B16R1.7293 O=C(O)C(F)(F)CNCc1cccc(c1)Cl 269956a_100000734215_100000187163 [0,2,0,0,0,0|2,0,0]=4 2656 B16R1.7293 O=C(O)C(F)(F)CNCc1cccc(c1)F 269956a_100000734215_100000230114 [0,2,0,0,0,0|2,0,0]=4 2657 B16R1.7293 O=C(O)C(F)(F)CNCc1cccc(c1)I 269956a_100000734215_100011218688 [0,2,0,0,0,0|2,0,0]=4 2658 B16R1.7293 O=C(O)C(F)(F)CNCc1cccc(c1)O 269956a_100000734215_100011660834 [0,2,0,0,0,0|2,0,0]=4 2659 B16R1.7491 CC(CNCc1cc(ccc1Br)Br)C(=O)O 269956a_100000749485_100011982794 [0,2,0,0,0,0|2,0,0]=4 2660 B16R1.7491 CC(CNCc1cc(ccc1Br)Cl)C(=O)O 269956a_100000749485_100000733903 [0,2,0,0,0,0|2,0,0]=4 2661 B16R1.7491 CC(CNCc1cc(ccc1Br)F)C(=O)O 269956a_100000749485_100000736370 [0,2,0,0,0,0|2,0,0]=4 2662 B16R1.7491 CC(CNCc1cc(ccc1Br)I)C(=O)O 269956a_100000749485_100012355412 [0,2,0,0,0,0|2,0,0]=4 2663 B16R1.7491 CC(CNCc1cc(ccc1Cl)Br)C(=O)O 269956a_100000749485_100000763347 [0,2,0,0,0,0|2,0,0]=4 2664 B16R1.7491 CC(CNCc1cc(ccc1Cl)Cl)C(=O)O 269956a_100000749485_100000754809 [0,2,0,0,0,0|2,0,0]=4 2665 B16R1.7491 CC(CNCc1cc(ccc1Cl)F)C(=O)O 269956a_100000749485_100000709952 [0,2,0,0,0,0|2,0,0]=4 2666 B16R1.7491 CC(CNCc1cc(ccc1Cl)I)C(=O)O 269956a_100000749485_100010188191 [0,2,0,0,0,0|2,0,0]=4 2667 B16R1.7491 CC(CNCc1cc(ccc1F)Br)C(=O)O 269956a_100000749485_100000736399 [0,2,0,0,0,0|2,0,0]=4 2668 B16R1.7491 CC(CNCc1cc(ccc1F)Cl)C(=O)O 269956a_100000749485_100000716957 [0,2,0,0,0,0|2,0,0]=4 2669 B16R1.7491 CC(CNCc1cc(ccc1F)F)C(=O)O 269956a_100000749485_100000685659 [0,2,0,0,0,0|2,0,0]=4 2670 B16R1.7491 CC(CNCc1cc(ccc1F)I)C(=O)O 269956a_100000749485_200010149601 [0,2,0,0,0,0|2,0,0]=4 2671 B16R1.7491 CC(CNCc1cc(ccc1I)Br)C(=O)O 269956a_100000749485_100012362523 [0,2,0,0,0,0|2,0,0]=4 2672 B16R1.7491 CC(CNCc1cc(ccc1I)Cl)C(=O)O 269956a_100000749485_100012348826 [0,2,0,0,0,0|2,0,0]=4 2673 B16R1.7491 CC(CNCc1cc(ccc1I)F)C(=O)O 269956a_100000749485_100010149606 [0,2,0,0,0,0|2,0,0]=4 2674 B16R1.7491 CC(CNCc1cc(ccc1O)F)C(=O)O 269956a_100000749485_100010161318 [0,2,0,0,0,0|2,0,0]=4 2675 B16R1.7491 Cc1ccc(c(c1)CNCC(C)C(=O)O)C 269956a_100000749485_100000184699 [0,2,0,0,0,0|2,0,0]=4 2676 B16R1.7491 Cc1ccc(c(c1)CNCC(C)C(=O)O)Cl 269956a_100000749485_100009871730 [0,2,0,0,0,0|2,0,0]=4 2677 B16R1.7491 Cc1ccc(c(c1)CNCC(C)C(=O)O)F 269956a_100000749485_100011260760 [0,2,0,0,0,0|2,0,0]=4 2678 B16R1.7491 Cc1ccc(c(c1)CNCC(F)C(=O)O)C 269956a_100000084737_100000184699 [0,2,0,0,0,0|2,0,0]=4 2679 B16R1.7491 Cc1ccc(c(c1)CNCC(F)C(=O)O)Cl 269956a_100000084737_100009871730 [0,2,0,0,0,0|2,0,0]=4 2680 B16R1.7491 Cc1ccc(c(c1)CNCC(F)C(=O)O)F 269956a_100000084737_100011260760 [0,2,0,0,0,0|2,0,0]=4 2681 B16R1.7491 Cc1ccc(c(c1)COC[C@H](N)C(=O)N)C 34a_100000729942_100000184699 [0,2,0,0,0,0|1,1,0]=4 2682 B16R1.7491 Cc1ccc(c(c1)COC[C@H](N)C(=O)N)Cl 34a_100000729942_100009871730 [0,2,0,0,0,0|1,1,0]=4 2683 B16R1.7491 Cc1ccc(c(c1)COC[C@H](N)C(=O)N)F 34a_100000729942_100011260760 [0,2,0,0,0,0|1,1,0]=4 2684 B16R1.7491 Cc1ccc(cc1CNCC(C)C(=O)O)Cl 269956a_100000749485_100012186985 [0,2,0,0,0,0|2,0,0]=4 2685 B16R1.7491 Cc1ccc(cc1CNCC(C)C(=O)O)F 269956a_100000749485_100000709795 [0,2,0,0,0,0|2,0,0]=4 2686 B16R1.7491 Cc1ccc(cc1CNCC(F)C(=O)O)Cl 269956a_100000084737_100012186985 [0,2,0,0,0,0|2,0,0]=4 2687 B16R1.7491 Cc1ccc(cc1CNCC(F)C(=O)O)F 269956a_100000084737_100000709795 [0,2,0,0,0,0|2,0,0]=4 2688 B16R1.7491 Cc1ccc(cc1COC[C@H](N)C(=O)N)Cl 34a_100000729942_100012186985 [0,2,0,0,0,0|1,1,0]=4 2689 B16R1.7491 Cc1ccc(cc1COC[C@H](N)C(=O)N)F 34a_100000729942_100000709795 [0,2,0,0,0,0|1,1,0]=4 2690 B16R1.7491 NC(=O)[C@@H](N)COCc1cc(ccc1Br)Br 34a_100000729942_100011982794 [0,2,0,0,0,0|1,1,0]=4 2691 B16R1.7491 NC(=O)[C@@H](N)COCc1cc(ccc1Br)Cl 34a_100000729942_100000733903 [0,2,0,0,0,0|1,1,0]=4 2692 B16R1.7491 NC(=O)[C@@H](N)COCc1cc(ccc1Br)F 34a_100000729942_100000736370 [0,2,0,0,0,0|1,1,0]=4 2693 B16R1.7491 NC(=O)[C@@H](N)COCc1cc(ccc1Br)I 34a_100000729942_100012355412 [0,2,0,0,0,0|1,1,0]=4 2694 B16R1.7491 NC(=O)[C@@H](N)COCc1cc(ccc1Cl)Br 34a_100000729942_100000763347 [0,2,0,0,0,0|1,1,0]=4 2695 B16R1.7491 NC(=O)[C@@H](N)COCc1cc(ccc1Cl)Cl 34a_100000729942_100000756322 [0,2,0,0,0,0|1,1,0]=4 2696 B16R1.7491 NC(=O)[C@@H](N)COCc1cc(ccc1Cl)F 34a_100000729942_100000709952 [0,2,0,0,0,0|1,1,0]=4 2697 B16R1.7491 NC(=O)[C@@H](N)COCc1cc(ccc1Cl)I 34a_100000729942_100010188191 [0,2,0,0,0,0|1,1,0]=4 2698 B16R1.7491 NC(=O)[C@@H](N)COCc1cc(ccc1F)Br 34a_100000729942_100000736399 [0,2,0,0,0,0|1,1,0]=4 2699 B16R1.7491 NC(=O)[C@@H](N)COCc1cc(ccc1F)Cl 34a_100000729942_100000716957 [0,2,0,0,0,0|1,1,0]=4 2700 B16R1.7491 NC(=O)[C@@H](N)COCc1cc(ccc1F)F 34a_100000729942_100000741279 [0,2,0,0,0,0|1,1,0]=4 2701 B16R1.7491 NC(=O)[C@@H](N)COCc1cc(ccc1F)I 34a_100000729942_200010149601 [0,2,0,0,0,0|1,1,0]=4 2702 B16R1.7491 NC(=O)[C@@H](N)COCc1cc(ccc1I)Br 34a_100000729942_100012362523 [0,2,0,0,0,0|1,1,0]=4 2703 B16R1.7491 NC(=O)[C@@H](N)COCc1cc(ccc1I)Cl 34a_100000729942_100012348826 [0,2,0,0,0,0|1,1,0]=4 2704 B16R1.7491 NC(=O)[C@@H](N)COCc1cc(ccc1I)F 34a_100000729942_100010149606 [0,2,0,0,0,0|1,1,0]=4 2705 B16R1.7491 NC(=O)[C@@H](N)COCc1cc(ccc1O)F 34a_100000729942_100010161318 [0,2,0,0,0,0|1,1,0]=4 2706 B16R1.7491 O=C(O)C(F)CNCc1cc(ccc1Br)Br 269956a_100000084737_100011982794 [0,2,0,0,0,0|2,0,0]=4 2707 B16R1.7491 O=C(O)C(F)CNCc1cc(ccc1Br)Cl 269956a_100000084737_100000733903 [0,2,0,0,0,0|2,0,0]=4 2708 B16R1.7491 O=C(O)C(F)CNCc1cc(ccc1Br)F 269956a_100000084737_100000736370 [0,2,0,0,0,0|2,0,0]=4 2709 B16R1.7491 O=C(O)C(F)CNCc1cc(ccc1Br)I 269956a_100000084737_100012355412 [0,2,0,0,0,0|2,0,0]=4 2710 B16R1.7491 O=C(O)C(F)CNCc1cc(ccc1Cl)Br 269956a_100000084737_100000763347 [0,2,0,0,0,0|2,0,0]=4 2711 B16R1.7491 O=C(O)C(F)CNCc1cc(ccc1Cl)Cl 269956a_100000084737_100000754809 [0,2,0,0,0,0|2,0,0]=4 2712 B16R1.7491 O=C(O)C(F)CNCc1cc(ccc1Cl)F 269956a_100000084737_100000709952 [0,2,0,0,0,0|2,0,0]=4 2713 B16R1.7491 O=C(O)C(F)CNCc1cc(ccc1Cl)I 269956a_100000084737_100010188191 [0,2,0,0,0,0|2,0,0]=4 2714 B16R1.7491 O=C(O)C(F)CNCc1cc(ccc1F)Br 269956a_100000084737_100000736399 [0,2,0,0,0,0|2,0,0]=4 2715 B16R1.7491 O=C(O)C(F)CNCc1cc(ccc1F)Cl 269956a_100000084737_100000716957 [0,2,0,0,0,0|2,0,0]=4 2716 B16R1.7491 O=C(O)C(F)CNCc1cc(ccc1F)F 269956a_100000084737_100000685659 [0,2,0,0,0,0|2,0,0]=4 2717 B16R1.7491 O=C(O)C(F)CNCc1cc(ccc1F)I 269956a_100000084737_200010149601 [0,2,0,0,0,0|2,0,0]=4 2718 B16R1.7491 O=C(O)C(F)CNCc1cc(ccc1I)Br 269956a_100000084737_100012362523 [0,2,0,0,0,0|2,0,0]=4 2719 B16R1.7491 O=C(O)C(F)CNCc1cc(ccc1I)Cl 269956a_100000084737_100012348826 [0,2,0,0,0,0|2,0,0]=4 2720 B16R1.7491 O=C(O)C(F)CNCc1cc(ccc1I)F 269956a_100000084737_100010149606 [0,2,0,0,0,0|2,0,0]=4 2721 B16R1.7491 O=C(O)C(F)CNCc1cc(ccc1O)F 269956a_100000084737_100010161318 [0,2,0,0,0,0|2,0,0]=4 2722 B16R1.11257 C[C@@H](OCc1cccc(c1)Br)[C@H](N)C(=O)N 34a_100000003557_100000698116 [0,2,0,0,0,0|1,1,0]=4 2723 B16R1.11257 C[C@@H](OCc1cccc(c1)Cl)[C@H](N)C(=O)N 34a_100000003557_100000187163 [0,2,0,0,0,0|1,1,0]=4 2724 B16R1.11257 C[C@@H](OCc1cccc(c1)F)[C@H](N)C(=O)N 34a_100000003557_100000187166 [0,2,0,0,0,0|1,1,0]=4 2725 B16R1.11257 C[C@@H](OCc1cccc(c1)I)[C@H](N)C(=O)N 34a_100000003557_100011218688 [0,2,0,0,0,0|1,1,0]=4 2726 B16R1.11257 C[C@@H](OCc1cccc(c1)O)[C@H](N)C(=O)N 34a_100000003557_100011660834 [0,2,0,0,0,0|1,1,0]=4 2727 B16R1.11257 Cc1cccc(c1)CO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_100000211840 [0,2,0,0,0,0|1,1,0]=4 2728 B16R1.3911 CC(CNCc1ccccc1C#N)C(=O)O 269956a_100000749485_100000181865 [0,2,0,0,0,0|2,0,0]=4 2729 B16R1.3911 CC(CNCc1ccccc1C=O)C(=O)O 269956a_100000749485_200009853537 [0,2,0,0,0,0|2,0,0]=4 2730 B16R1.3911 CC(CNCc1ccccc1CO)C(=O)O 269956a_100000749485_100009816955 [0,2,0,0,0,0|2,0,0]=4 2731 B16R1.3911 COc1ccccc1CNCC(C)C(=O)O 269956a_100000749485_100000210004 [0,2,0,0,0,0|2,0,0]=4 2732 B16R1.3911 COc1ccccc1CNCC(F)C(=O)O 269956a_100000084737_100000210004 [0,2,0,0,0,0|2,0,0]=4 2733 B16R1.3911 COc1ccccc1COC[C@H](N)C(=O)N 34a_100000729942_100000210004 [0,2,0,0,0,0|1,1,0]=4 2734 B16R1.3911 CSc1ccccc1CNCC(C)C(=O)O 269956a_100000749485_100000699184 [0,2,0,0,0,0|2,0,0]=4 2735 B16R1.3911 CSc1ccccc1CNCC(F)C(=O)O 269956a_100000084737_100000699184 [0,2,0,0,0,0|2,0,0]=4 2736 B16R1.3911 CSc1ccccc1COC[C@H](N)C(=O)N 34a_100000729942_100000699184 [0,2,0,0,0,0|1,1,0]=4 2737 B16R1.3911 N#Cc1ccccc1CNCC(F)C(=O)O 269956a_100000084737_100000181865 [0,2,0,0,0,0|2,0,0]=4 2738 B16R1.3911 N#Cc1ccccc1COC[C@H](N)C(=O)N 34a_100000729942_100000181865 [0,2,0,0,0,0|1,1,0]=4 2739 B16R1.3911 NC(=O)[C@@H](N)COCc1ccccc1C=O 34a_100000729942_200009853537 [0,2,0,0,0,0|1,1,0]=4 2740 B16R1.3911 NC(=O)[C@@H](N)COCc1ccccc1CO 34a_100000729942_100009816955 [0,2,0,0,0,0|1,1,0]=4 2741 B16R1.3911 O=C(O)C(F)CNCc1ccccc1CO 269956a_100000084737_100009816955 [0,2,0,0,0,0|2,0,0]=4 2742 B16R1.3911 O=Cc1ccccc1CNCC(F)C(=O)O 269956a_100000084737_200009853537 [0,2,0,0,0,0|2,0,0]=4 2743 B16R1.6945 C=C(CSCc1ccccc1Br)C(=O)OC 62a_100000184730_100009813391 [0,2,0,0,0,0|1,0,1]=4 2744 B16R1.6945 C=C(CSCc1ccccc1Br)C(=O)OC 62a_100009813391_100000184730 [0,2,0,0,0,0|1,0,1]=4 2745 B16R1.6945 C=C(CSCc1ccccc1C)C(=O)OC 62a_100000211839_100009813391 [0,2,0,0,0,0|1,0,1]=4 2746 B16R1.6945 C=C(CSCc1ccccc1C)C(=O)OC 62a_100009813391_100000211839 [0,2,0,0,0,0|1,0,1]=4 2747 B16R1.6945 C=C(CSCc1ccccc1Cl)C(=O)OC 62a_100000187162_100009813391 [0,2,0,0,0,0|1,0,1]=4 2748 B16R1.6945 C=C(CSCc1ccccc1Cl)C(=O)OC 62a_100009813391_100000187162 [0,2,0,0,0,0|1,0,1]=4 2749 B16R1.6945 C=C(CSCc1ccccc1F)C(=O)OC 62a_100000211605_100009813391 [0,2,0,0,0,0|1,0,1]=4 2750 B16R1.6945 C=C(CSCc1ccccc1F)C(=O)OC 62a_100009813391_100000211605 [0,2,0,0,0,0|1,0,1]=4 2751 B16R1.6945 C=C(CSCc1ccccc1I)C(=O)OC 62a_100009813391_100011216222 [0,2,0,0,0,0|1,0,1]=4 2752 B16R1.6945 C=C(CSCc1ccccc1I)C(=O)OC 62a_100011216222_100009813391 [0,2,0,0,0,0|1,0,1]=4 2753 B16R1.6945 COC(=O)C(=O)CSCc1ccccc1Br 62a_100000184730_100011610305 [0,2,0,0,0,0|1,0,1]=4 2754 B16R1.6945 COC(=O)C(=O)CSCc1ccccc1Br 62a_100011610305_100000184730 [0,2,0,0,0,0|1,0,1]=4 2755 B16R1.6945 COC(=O)C(=O)CSCc1ccccc1C 62a_100000211839_100011610305 [0,2,0,0,0,0|1,0,1]=4 2756 B16R1.6945 COC(=O)C(=O)CSCc1ccccc1C 62a_100011610305_100000211839 [0,2,0,0,0,0|1,0,1]=4 2757 B16R1.6945 COC(=O)C(=O)CSCc1ccccc1Cl 62a_100000187162_100011610305 [0,2,0,0,0,0|1,0,1]=4 2758 B16R1.6945 COC(=O)C(=O)CSCc1ccccc1Cl 62a_100011610305_100000187162 [0,2,0,0,0,0|1,0,1]=4 2759 B16R1.6945 COC(=O)C(=O)CSCc1ccccc1F 62a_100000211605_100011610305 [0,2,0,0,0,0|1,0,1]=4 2760 B16R1.6945 COC(=O)C(=O)CSCc1ccccc1F 62a_100011610305_100000211605 [0,2,0,0,0,0|1,0,1]=4 2761 B16R1.6945 COC(=O)C(=O)CSCc1ccccc1I 62a_100011216222_100011610305 [0,2,0,0,0,0|1,0,1]=4 2762 B16R1.6945 COC(=O)C(=O)CSCc1ccccc1I 62a_100011610305_100011216222 [0,2,0,0,0,0|1,0,1]=4 2763 B16R1.6945 COC(=O)C(C)CNCc1ccccc1Br 34a_100000689332_100000698445 [0,2,0,0,0,0|2,0,0]=4 2764 B16R1.6945 COC(=O)C(C)CNCc1ccccc1C 34a_100000174972_100000698445 [0,2,0,0,0,0|2,0,0]=4 2765 B16R1.6945 COC(=O)C(C)CNCc1ccccc1Cl 34a_100000174879_100000698445 [0,2,0,0,0,0|2,0,0]=4 2766 B16R1.6945 COC(=O)C(C)CNCc1ccccc1F 34a_100000174869_100000698445 [0,2,0,0,0,0|2,0,0]=4 2767 B16R1.6945 COC(=O)C(C)CNCc1ccccc1O 34a_100000185550_100000698445 [0,2,0,0,0,0|2,0,0]=4 2768 B16R1.6945 COC(=O)C(C)COCc1ccccc1Br 34a_100000749362_100000184730 [0,2,0,0,0,0|1,1,0]=4 2769 B16R1.6945 COC(=O)C(C)COCc1ccccc1Br 34a_100000756307_100000698445 [0,2,0,0,0,0|1,1,0]=4 2770 B16R1.6945 COC(=O)C(C)COCc1ccccc1Br 7a_100000749362_100000184730 [0,2,0,0,0,0|1,1,0]=4 2771 B16R1.6945 COC(=O)C(C)COCc1ccccc1C 34a_100000698903_100000698445 [0,2,0,0,0,0|1,1,0]=4 2772 B16R1.6945 COC(=O)C(C)COCc1ccccc1C 34a_100000749362_100000211839 [0,2,0,0,0,0|1,1,0]=4 2773 B16R1.6945 COC(=O)C(C)COCc1ccccc1C 7a_100000749362_100000211839 [0,2,0,0,0,0|1,1,0]=4 2774 B16R1.6945 COC(=O)C(C)COCc1ccccc1Cl 34a_100000210847_100000698445 [0,2,0,0,0,0|1,1,0]=4 2775 B16R1.6945 COC(=O)C(C)COCc1ccccc1Cl 34a_100000749362_100000187162 [0,2,0,0,0,0|1,1,0]=4 2776 B16R1.6945 COC(=O)C(C)COCc1ccccc1Cl 7a_100000749362_100000187162 [0,2,0,0,0,0|1,1,0]=4 2777 B16R1.6945 COC(=O)C(C)COCc1ccccc1F 34a_100000211962_100000698445 [0,2,0,0,0,0|1,1,0]=4 2778 B16R1.6945 COC(=O)C(C)COCc1ccccc1F 34a_100000749362_100000211605 [0,2,0,0,0,0|1,1,0]=4 2779 B16R1.6945 COC(=O)C(C)COCc1ccccc1F 7a_100000749362_100000211605 [0,2,0,0,0,0|1,1,0]=4 2780 B16R1.6945 COC(=O)C(C)COCc1ccccc1I 34a_100000187465_100000698445 [0,2,0,0,0,0|1,1,0]=4 2781 B16R1.6945 COC(=O)C(C)COCc1ccccc1I 34a_100000749362_100011215278 [0,2,0,0,0,0|1,1,0]=4 2782 B16R1.6945 COC(=O)C(C)COCc1ccccc1I 7a_100000749362_100011215278 [0,2,0,0,0,0|1,1,0]=4 2783 B16R1.6945 COC(=O)C(C)COCc1ccccc1N 34a_100000212039_100000698445 [0,2,0,0,0,0|1,1,0]=4 2784 B16R1.6945 COC(=O)C(C)CSCc1ccccc1Br 62a_100000184730_100000698445 [0,2,0,0,0,0|1,0,0]=3 2785 B16R1.6945 COC(=O)C(C)CSCc1ccccc1Br 62a_100000698445_100000184730 [0,2,0,0,0,0|1,0,0]=3 2786 B16R1.6945 COC(=O)C(C)CSCc1ccccc1C 62a_100000211839_100000698445 [0,2,0,0,0,0|1,0,0]=3 2787 B16R1.6945 COC(=O)C(C)CSCc1ccccc1C 62a_100000698445_100000211839 [0,2,0,0,0,0|1,0,0]=3 2788 B16R1.6945 COC(=O)C(C)CSCc1ccccc1Cl 62a_100000187162_100000698445 [0,2,0,0,0,0|1,0,0]=3 2789 B16R1.6945 COC(=O)C(C)CSCc1ccccc1Cl 62a_100000698445_100000187162 [0,2,0,0,0,0|1,0,0]=3 2790 B16R1.6945 COC(=O)C(C)CSCc1ccccc1F 62a_100000211605_100000698445 [0,2,0,0,0,0|1,0,0]=3 2791 B16R1.6945 COC(=O)C(C)CSCc1ccccc1F 62a_100000698445_100000211605 [0,2,0,0,0,0|1,0,0]=3 2792 B16R1.6945 COC(=O)C(C)CSCc1ccccc1I 62a_100000698445_100011216222 [0,2,0,0,0,0|1,0,0]=3 2793 B16R1.6945 COC(=O)C(C)CSCc1ccccc1I 62a_100011216222_100000698445 [0,2,0,0,0,0|1,0,0]=3 2794 B16R1.6945 COC(=O)C(C)CSCc1cccnc1Br 62a_100000698445_100010140945 [0,2,0,0,0,0|2,0,0]=4 2795 B16R1.6945 COC(=O)C(C)CSCc1cccnc1Br 62a_100010140945_100000698445 [0,2,0,0,0,0|2,0,0]=4 2796 B16R1.6945 COC(=O)C(C)CSCc1cccnc1C 62a_100000698445_100000732876 [0,2,0,0,0,0|2,0,0]=4 2797 B16R1.6945 COC(=O)C(C)CSCc1cccnc1C 62a_100000732876_100000698445 [0,2,0,0,0,0|2,0,0]=4 2798 B16R1.6945 COC(=O)C(C)CSCc1cccnc1Cl 62a_100000045678_100000698445 [0,2,0,0,0,0|2,0,0]=4 2799 B16R1.6945 COC(=O)C(C)CSCc1cccnc1Cl 62a_100000698445_100000045678 [0,2,0,0,0,0|2,0,0]=4 2800 B16R1.6945 COC(=O)C(C)CSCc1cccnc1F 62a_100000099810_100000698445 [0,2,0,0,0,0|2,0,0]=4 2801 B16R1.6945 COC(=O)C(C)CSCc1cccnc1F 62a_100000698445_100000099810 [0,2,0,0,0,0|2,0,0]=4 2802 B16R1.6945 COC(=O)C(C)CSCc1ccncc1C 62a_100000698445_100020672808 [0,2,0,0,0,0|2,0,0]=4 2803 B16R1.6945 COC(=O)C(C)CSCc1ccncc1C 62a_100020672808_100000698445 [0,2,0,0,0,0|2,0,0]=4 2804 B16R1.6945 COC(=O)C(C)CSCc1ccncc1Cl 62a_100000698445_100000763264 [0,2,0,0,0,0|2,0,0]=4 2805 B16R1.6945 COC(=O)C(C)CSCc1ccncc1Cl 62a_100000763264_100000698445 [0,2,0,0,0,0|2,0,0]=4 2806 B16R1.6945 COC(=O)C(C)CSCc1cnccc1C 62a_100000690890_100000698445 [0,2,0,0,0,0|2,0,0]=4 2807 B16R1.6945 COC(=O)C(C)CSCc1cnccc1C 62a_100000698445_100000690890 [0,2,0,0,0,0|2,0,0]=4 2808 B16R1.6945 COC(=O)C(C)CSCc1ncccc1Br 62a_100000698445_100025702911 [0,2,0,0,0,0|2,0,0]=4 2809 B16R1.6945 COC(=O)C(C)CSCc1ncccc1Br 62a_100025702911_100000698445 [0,2,0,0,0,0|2,0,0]=4 2810 B16R1.6945 COC(=O)C(C)CSCc1ncccc1C 62a_100000696600_100000698445 [0,2,0,0,0,0|2,0,0]=4 2811 B16R1.6945 COC(=O)C(C)CSCc1ncccc1C 62a_100000698445_100000696600 [0,2,0,0,0,0|2,0,0]=4 2812 B16R1.6945 COC(=O)C(C)CSCc1ncccc1Cl 62a_100000099807_100000698445 [0,2,0,0,0,0|2,0,0]=4 2813 B16R1.6945 COC(=O)C(C)CSCc1ncccc1Cl 62a_100000698445_100000099807 [0,2,0,0,0,0|2,0,0]=4 2814 B16R1.6945 COC(=O)C(C)CSCc1ncccc1F 62a_100000104219_100000698445 [0,2,0,0,0,0|2,0,0]=4 2815 B16R1.6945 COC(=O)C(C)CSCc1ncccc1F 62a_100000698445_100000104219 [0,2,0,0,0,0|2,0,0]=4 2816 B16R1.6945 COC(=O)C(C)CSCc1ncccc1O 62a_100000698445_200020655725 [0,2,0,0,0,0|2,0,0]=4 2817 B16R1.6945 COC(=O)C(C)CSCc1ncccc1O 62a_200020655725_100000698445 [0,2,0,0,0,0|2,0,0]=4 2818 B16R1.6945 COC(=O)C(F)COCc1ccccc1Br 34a_200009849844_100000184730 [0,2,0,0,0,0|1,1,0]=4 2819 B16R1.6945 COC(=O)C(F)COCc1ccccc1C 34a_200009849844_100000211839 [0,2,0,0,0,0|1,1,0]=4 2820 B16R1.6945 COC(=O)C(F)COCc1ccccc1Cl 34a_200009849844_100000187162 [0,2,0,0,0,0|1,1,0]=4 2821 B16R1.6945 COC(=O)C(F)COCc1ccccc1F 34a_200009849844_100000211605 [0,2,0,0,0,0|1,1,0]=4 2822 B16R1.6945 COC(=O)C(F)COCc1ccccc1I 34a_200009849844_100011215278 [0,2,0,0,0,0|1,1,0]=4 2823 B16R1.6945 COC(=O)[C@H](N)COCc1ccccc1Br 34a_100000003586_100000184730 [0,2,0,0,0,0|0,1,0]=3 2824 B16R1.6945 COC(=O)[C@H](N)COCc1ccccc1C 34a_100000003586_100000211839 [0,2,0,0,0,0|0,1,0]=3 2825 B16R1.6945 COC(=O)[C@H](N)COCc1ccccc1Cl 34a_100000003586_100000187162 [0,2,0,0,0,0|0,1,0]=3 2826 B16R1.6945 COC(=O)[C@H](N)COCc1ccccc1F 34a_100000003586_100000211605 [0,2,0,0,0,0|0,1,0]=3 2827 B16R1.6945 COC(=O)[C@H](N)COCc1ccccc1I 34a_100000003586_100011215278 [0,2,0,0,0,0|0,1,0]=3 2828 B16R1.6945 COC(=O)[C@H](N)COCc1cccnc1Br 34a_100000003586_100010140945 [0,2,0,0,0,0|1,1,0]=4 2829 B16R1.6945 COC(=O)[C@H](N)COCc1cccnc1C 34a_100000003586_100000732876 [0,2,0,0,0,0|1,1,0]=4 2830 B16R1.6945 COC(=O)[C@H](N)COCc1cccnc1Cl 34a_100000003586_100000045678 [0,2,0,0,0,0|1,1,0]=4 2831 B16R1.6945 COC(=O)[C@H](N)COCc1cccnc1F 34a_100000003586_100000099810 [0,2,0,0,0,0|1,1,0]=4 2832 B16R1.6945 COC(=O)[C@H](N)COCc1ccncc1C 34a_100000003586_100020672809 [0,2,0,0,0,0|1,1,0]=4 2833 B16R1.6945 COC(=O)[C@H](N)COCc1cnccc1C 34a_100000003586_100000690890 [0,2,0,0,0,0|1,1,0]=4 2834 B16R1.6945 COC(=O)[C@H](N)COCc1ncccc1Br 34a_100000003586_100025702911 [0,2,0,0,0,0|1,1,0]=4 2835 B16R1.6945 COC(=O)[C@H](N)COCc1ncccc1C 34a_100000003586_100000696600 [0,2,0,0,0,0|1,1,0]=4 2836 B16R1.6945 COC(=O)[C@H](N)COCc1ncccc1F 34a_100000003586_100000104219 [0,2,0,0,0,0|1,1,0]=4 2837 B16R1.6945 COC(=O)[C@H](N)COCc1ncccc1O 34a_100000003586_200020655725 [0,2,0,0,0,0|1,1,0]=4 2838 B16R1.6945 Cc1ccccc1COCC(N)C(=O)NN 34a_100016989258_100000211839 [0,2,0,0,0,0|1,1,0]=4 2839 B16R1.6945 NNC(=O)C(N)COCc1ccccc1Br 34a_100016989258_100000184730 [0,2,0,0,0,0|1,1,0]=4 2840 B16R1.6945 NNC(=O)C(N)COCc1ccccc1Cl 34a_100016989258_100000187162 [0,2,0,0,0,0|1,1,0]=4 2841 B16R1.6945 NNC(=O)C(N)COCc1ccccc1F 34a_100016989258_100000211605 [0,2,0,0,0,0|1,1,0]=4 2842 B16R1.6945 NNC(=O)C(N)COCc1ccccc1I 34a_100016989258_100011215278 [0,2,0,0,0,0|1,1,0]=4 2843 B16R1.8807 CC(C)(CNCc1ccccc1Br)C(=O)O 269956a_100000693527_100000184730 [0,2,0,0,0,0|2,0,0]=4 2844 B16R1.8807 CC(C)(CNCc1ccccc1Cl)C(=O)O 269956a_100000693527_100000187162 [0,2,0,0,0,0|2,0,0]=4 2845 B16R1.8807 CC(C)(CNCc1ccccc1F)C(=O)O 269956a_100000693527_100000187165 [0,2,0,0,0,0|2,0,0]=4 2846 B16R1.8807 CC(C)(CNCc1ccccc1I)C(=O)O 269956a_100000693527_100011216222 [0,2,0,0,0,0|2,0,0]=4 2847 B16R1.8807 CC(C)(CSCc1ccccc1Br)C(=O)N 62a_100000184730_200009895572 [0,2,0,0,0,0|2,0,0]=4 2848 B16R1.8807 CC(C)(CSCc1ccccc1Br)C(=O)N 62a_200009895572_100000184730 [0,2,0,0,0,0|2,0,0]=4 2849 B16R1.8807 CC(C)(CSCc1ccccc1Cl)C(=O)N 62a_100000187162_200009895572 [0,2,0,0,0,0|2,0,0]=4 2850 B16R1.8807 CC(C)(CSCc1ccccc1Cl)C(=O)N 62a_200009895572_100000187162 [0,2,0,0,0,0|2,0,0]=4 2851 B16R1.8807 CC(C)(CSCc1ccccc1F)C(=O)N 62a_100000211605_200009895572 [0,2,0,0,0,0|2,0,0]=4 2852 B16R1.8807 CC(C)(CSCc1ccccc1F)C(=O)N 62a_200009895572_100000211605 [0,2,0,0,0,0|2,0,0]=4 2853 B16R1.8807 CC(C)(CSCc1ccccc1I)C(=O)N 62a_100011216222_200009895572 [0,2,0,0,0,0|2,0,0]=4 2854 B16R1.8807 CC(C)(CSCc1ccccc1I)C(=O)N 62a_200009895572_100011216222 [0,2,0,0,0,0|2,0,0]=4 2855 B16R1.8807 Cc1ccccc1CNCC(C)(C)C(=O)O 269956a_100000693527_100000211750 [0,2,0,0,0,0|2,0,0]=4 2856 B16R1.8807 Cc1ccccc1CNCC(F)(F)C(=O)O 269956a_100000734215_100000211750 [0,2,0,0,0,0|2,0,0]=4 2857 B16R1.8807 Cc1ccccc1CSCC(C)(C)C(=O)N 62a_100000211839_200009895572 [0,2,0,0,0,0|2,0,0]=4 2858 B16R1.8807 Cc1ccccc1CSCC(C)(C)C(=O)N 62a_200009895572_100000211839 [0,2,0,0,0,0|2,0,0]=4 2859 B16R1.8807 O=C(O)C(F)(F)CNCc1ccccc1Br 269956a_100000734215_100000184730 [0,2,0,0,0,0|2,0,0]=4 2860 B16R1.8807 O=C(O)C(F)(F)CNCc1ccccc1Cl 269956a_100000734215_100000187162 [0,2,0,0,0,0|2,0,0]=4 2861 B16R1.8807 O=C(O)C(F)(F)CNCc1ccccc1F 269956a_100000734215_100000187165 [0,2,0,0,0,0|2,0,0]=4 2862 B16R1.8807 O=C(O)C(F)(F)CNCc1ccccc1I 269956a_100000734215_100011216222 [0,2,0,0,0,0|2,0,0]=4 2863 B16R1.8820 C[C@@H](OCc1ccccc1Br)[C@H](N)C(=O)N 34a_100000003557_100000184730 [0,2,0,0,0,0|1,1,0]=4 2864 B16R1.8820 C[C@@H](OCc1ccccc1Cl)[C@H](N)C(=O)N 34a_100000003557_100000187162 [0,2,0,0,0,0|1,1,0]=4 2865 B16R1.8820 C[C@@H](OCc1ccccc1F)[C@H](N)C(=O)N 34a_100000003557_100000211605 [0,2,0,0,0,0|1,1,0]=4 2866 B16R1.8820 C[C@@H](OCc1ccccc1I)[C@H](N)C(=O)N 34a_100000003557_100011215278 [0,2,0,0,0,0|1,1,0]=4 2867 B16R1.8820 Cc1ccccc1CO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_100000211839 [0,2,0,0,0,0|1,1,0]=4 2868 B16R1.10819 CC(CNC(C)c1ccccc1Cl)C(=O)O 269956a_100000749485_100000181259 [0,2,0,0,0,0|2,0,0]=4 2869 B16R1.10819 CC(CNC(C)c1ccccc1F)C(=O)O 269956a_100000749485_200000741388 [0,2,0,0,0,0|2,0,0]=4 2870 B16R1.10819 CC(NCC(F)C(=O)O)c1ccccc1Cl 269956a_100000084737_100000181259 [0,2,0,0,0,0|2,0,0]=4 2871 B16R1.10819 CC(NCC(F)C(=O)O)c1ccccc1F 269956a_100000084737_200000741388 [0,2,0,0,0,0|2,0,0]=4 2872 B16R1.10819 CC(OC[C@H](N)C(=O)N)c1ccccc1F 34a_100000729942_200000741388 [0,2,0,0,0,0|1,1,0]=4 2873 B16R1.11209 CC(CNCc1c(cccc1Br)Cl)C(=O)O 269956a_100000749485_100010138402 [0,2,0,0,0,0|2,0,0]=4 2874 B16R1.11209 CC(CNCc1c(cccc1Br)F)C(=O)O 269956a_100000749485_100012145669 [0,2,0,0,0,0|2,0,0]=4 2875 B16R1.11209 CC(CNCc1c(cccc1Cl)Cl)C(=O)O 269956a_100000749485_100000187851 [0,2,0,0,0,0|2,0,0]=4 2876 B16R1.11209 CC(CNCc1c(cccc1Cl)F)C(=O)O 269956a_100000749485_100000187852 [0,2,0,0,0,0|2,0,0]=4 2877 B16R1.11209 CC(CNCc1c(cccc1F)F)C(=O)O 269956a_100000749485_100000709179 [0,2,0,0,0,0|2,0,0]=4 2878 B16R1.11209 CC(CNCc1c(cccc1I)Br)C(=O)O 269956a_100000749485_100010146611 [0,2,0,0,0,0|2,0,0]=4 2879 B16R1.11209 CC(CNCc1c(cccc1I)F)C(=O)O 269956a_100000749485_100010149602 [0,2,0,0,0,0|2,0,0]=4 2880 B16R1.11209 Cc1cccc(c1CNCC(C)C(=O)O)Br 269956a_100000749485_100010146847 [0,2,0,0,0,0|2,0,0]=4 2881 B16R1.11209 Cc1cccc(c1CNCC(C)C(=O)O)C 269956a_100000749485_100000758300 [0,2,0,0,0,0|2,0,0]=4 2882 B16R1.11209 Cc1cccc(c1CNCC(C)C(=O)O)F 269956a_100000749485_100009814554 [0,2,0,0,0,0|2,0,0]=4 2883 B16R1.11209 Cc1cccc(c1CNCC(C)C(=O)O)I 269956a_100000749485_100010150146 [0,2,0,0,0,0|2,0,0]=4 2884 B16R1.11209 Cc1cccc(c1CNCC(F)C(=O)O)Br 269956a_100000084737_100010146847 [0,2,0,0,0,0|2,0,0]=4 2885 B16R1.11209 Cc1cccc(c1CNCC(F)C(=O)O)C 269956a_100000084737_100000758300 [0,2,0,0,0,0|2,0,0]=4 2886 B16R1.11209 Cc1cccc(c1CNCC(F)C(=O)O)F 269956a_100000084737_100009814554 [0,2,0,0,0,0|2,0,0]=4 2887 B16R1.11209 Cc1cccc(c1CNCC(F)C(=O)O)I 269956a_100000084737_100010150146 [0,2,0,0,0,0|2,0,0]=4 2888 B16R1.11209 Cc1cccc(c1COC[C@H](N)C(=O)N)Br 34a_100000729942_100010146847 [0,2,0,0,0,0|1,1,0]=4 2889 B16R1.11209 Cc1cccc(c1COC[C@H](N)C(=O)N)C 34a_100000729942_100000758300 [0,2,0,0,0,0|1,1,0]=4 2890 B16R1.11209 Cc1cccc(c1COC[C@H](N)C(=O)N)F 34a_100000729942_100009814554 [0,2,0,0,0,0|1,1,0]=4 2891 B16R1.11209 Cc1cccc(c1COC[C@H](N)C(=O)N)I 34a_100000729942_100010150146 [0,2,0,0,0,0|1,1,0]=4 2892 B16R1.11209 NC(=O)[C@@H](N)COCc1c(cccc1Br)Cl 34a_100000729942_100010138402 [0,2,0,0,0,0|1,1,0]=4 2893 B16R1.11209 NC(=O)[C@@H](N)COCc1c(cccc1Br)F 34a_100000729942_100012145669 [0,2,0,0,0,0|1,1,0]=4 2894 B16R1.11209 NC(=O)[C@@H](N)COCc1c(cccc1Cl)Cl 34a_100000729942_100000187851 [0,2,0,0,0,0|1,1,0]=4 2895 B16R1.11209 NC(=O)[C@@H](N)COCc1c(cccc1Cl)F 34a_100000729942_100000187852 [0,2,0,0,0,0|1,1,0]=4 2896 B16R1.11209 NC(=O)[C@@H](N)COCc1c(cccc1F)F 34a_100000729942_100000698325 [0,2,0,0,0,0|1,1,0]=4 2897 B16R1.11209 NC(=O)[C@@H](N)COCc1c(cccc1I)Br 34a_100000729942_100010146611 [0,2,0,0,0,0|1,1,0]=4 2898 B16R1.11209 NC(=O)[C@@H](N)COCc1c(cccc1I)F 34a_100000729942_100010149602 [0,2,0,0,0,0|1,1,0]=4 2899 B16R1.11209 O=C(O)C(F)CNCc1c(cccc1Br)Cl 269956a_100000084737_100010138402 [0,2,0,0,0,0|2,0,0]=4 2900 B16R1.11209 O=C(O)C(F)CNCc1c(cccc1Br)F 269956a_100000084737_100012145669 [0,2,0,0,0,0|2,0,0]=4 2901 B16R1.11209 O=C(O)C(F)CNCc1c(cccc1Cl)Cl 269956a_100000084737_100000187851 [0,2,0,0,0,0|2,0,0]=4 2902 B16R1.11209 O=C(O)C(F)CNCc1c(cccc1Cl)F 269956a_100000084737_100000187852 [0,2,0,0,0,0|2,0,0]=4 2903 B16R1.11209 O=C(O)C(F)CNCc1c(cccc1F)F 269956a_100000084737_100000709179 [0,2,0,0,0,0|2,0,0]=4 2904 B16R1.11209 O=C(O)C(F)CNCc1c(cccc1I)Br 269956a_100000084737_100010146611 [0,2,0,0,0,0|2,0,0]=4 2905 B16R1.11209 O=C(O)C(F)CNCc1c(cccc1I)F 269956a_100000084737_100010149602 [0,2,0,0,0,0|2,0,0]=4 2906 B16R1.1145 C=C(CSC(C)c1ccccc1)C(=O)OC 62a_100000230085_100009813391 [0,2,0,0,0,0|1,0,1]=4 2907 B16R1.1145 C=C(CSC(C)c1ccccc1)C(=O)OC 62a_100009813391_100000230085 [0,2,0,0,0,0|1,0,1]=4 2908 B16R1.1145 CC(OCC(N)C(=O)NN)c1ccccc1 34a_100016989258_100000211855 [0,2,0,0,0,0|1,1,0]=4 2909 B16R1.1145 COC(=O)C(=O)CSC(C)c1ccccc1 62a_100000230085_100011610305 [0,2,0,0,0,0|1,0,1]=4 2910 B16R1.1145 COC(=O)C(=O)CSC(C)c1ccccc1 62a_100011610305_100000230085 [0,2,0,0,0,0|1,0,1]=4 2911 B16R1.1145 COC(=O)C(C)COC(C)c1ccccc1 34a_100000749362_100000211855 [0,2,0,0,0,0|1,1,0]=4 2912 B16R1.1145 COC(=O)C(C)COC(C)c1ccccc1 7a_100000749362_100000230085 [0,2,0,0,0,0|1,1,0]=4 2913 B16R1.1145 COC(=O)C(C)CO[C@H](C)c1ccccc1 34a_100000761318_100000698445 [0,2,0,0,0,0|1,1,0]=4 2914 B16R1.1145 COC(=O)C(C)CSC(C)c1ccccc1 62a_100000230085_100000698445 [0,2,0,0,0,0|1,0,0]=3 2915 B16R1.1145 COC(=O)C(C)CSC(C)c1ccccc1 62a_100000698445_100000230085 [0,2,0,0,0,0|1,0,0]=3 2916 B16R1.1145 COC(=O)C(F)COC(C)c1ccccc1 34a_200009849844_100000211855 [0,2,0,0,0,0|1,1,0]=4 2917 B16R1.1145 COC(=O)[C@H](N)COC(C)c1ccccc1 34a_100000003586_100000211855 [0,2,0,0,0,0|0,1,0]=3 2918 B16R1.4119 CC(C)(NCC(F)C(=O)O)c1ccccc1 269956a_100000084737_100000034625 [0,2,0,0,0,0|2,0,0]=4 2919 B16R1.4119 CC(CNC(C)(C)c1ccccc1)C(=O)O 269956a_100000749485_100000034625 [0,2,0,0,0,0|2,0,0]=4 2920 B16R1.4119 CC(CNC(F)(F)c1ccccc1)C(=O)O 269956a_100000749485_100000036403 [0,2,0,0,0,0|2,0,0]=4 2921 B16R1.4119 O=C(O)C(F)CNC(F)(F)c1ccccc1 269956a_100000084737_100000036403 [0,2,0,0,0,0|2,0,0]=4 2922 B16R1.4125 CC(O[C@H](C)[C@H](N)C(=O)N)c1ccccc1 34a_100000003557_100000211855 [0,2,0,0,0,0|1,1,0]=4 2923 B16R1.4675 C=CC(NCC(C)C(=O)O)c1ccccc1 269956a_100000749485_200000085779 [0,2,0,0,0,0|2,0,0]=4 2924 B16R1.4675 C=CC(NCC(F)C(=O)O)c1ccccc1 269956a_100000084737_200000085779 [0,2,0,0,0,0|2,0,0]=4 2925 B16R1.12439 CC(NCC(C)(C)C(=O)O)c1ccccc1 269956a_100000693527_100000211855 [0,2,0,0,0,0|2,0,0]=4 2926 B16R1.12439 CC(NCC(F)(F)C(=O)O)c1ccccc1 269956a_100000734215_100000211855 [0,2,0,0,0,0|2,0,0]=4 2927 B16R1.12439 CC(SCC(C)(C)C(=O)N)c1ccccc1 62a_100000230085_200009895572 [0,2,0,0,0,0|2,0,0]=4 2928 B16R1.12439 CC(SCC(C)(C)C(=O)N)c1ccccc1 62a_200009895572_100000230085 [0,2,0,0,0,0|2,0,0]=4 2929 B16R1.1660 COC(=O)C(C)CN(C)Cc1ccccc1 2230a_100000177505_200000210301 [0,2,0,0,0,0|2,0,0]=4 2930 B16R1.1660 COC(=O)C(C)CN(C)Cc1ccccc1 269982a_100000177505_200000210301 [0,2,0,0,0,0|2,0,0]=4 2931 B16R1.1660 COC(=O)C(C)CN(C)Cc1ccccc1 269982a_100000186898_100000698445 [0,2,0,0,0,0|2,0,0]=4 2932 B16R1.1660 COC(=O)C(C)CN(C)Cc1ccccc1 34a_100000177505_200000210301 [0,2,0,0,0,0|2,0,0]=4 2933 B16R1.1660 COC(=O)C(C)CN([13CH3])Cc1ccccc1 2230a_100000177505_200025704644 [0,2,0,0,0,0|2,0,0]=4 2934 B16R1.1660 COC(=O)C(C)CN([13CH3])Cc1ccccc1 269982a_100000177505_200025704644 [0,2,0,0,0,0|2,0,0]=4 2935 B16R1.1660 COC(=O)C(C)CN([13CH3])Cc1ccccc1 34a_100000177505_200025704644 [0,2,0,0,0,0|2,0,0]=4 2936 B16R1.1672 CNC(=O)[C@@H](N)[C@@H](C)OCc1ccccc1 34a_100102634413_100015291786 [0,2,0,0,0,0|1,1,0]=4 2937 B16R1.1672 COC(=O)C(=O)C(C)SCc1ccccc1 62a_100000211182_100000692041 [0,2,0,0,0,0|1,0,1]=4 2938 B16R1.1672 COC(=O)C(=O)C(C)SCc1ccccc1 62a_100000692041_100015291786 [0,2,0,0,0,0|1,0,1]=4 2939 B16R1.1672 COC(=O)[C@@H](N)[C@@H](C)OCc1ccccc1 34a_100000004424_100015291786 [0,2,0,0,0,0|0,1,0]=3 2940 B16R1.1672 COC(=O)[C@@H](N)[C@@H](C)OCc1ccccn1 34a_100000004424_100000721315 [0,2,0,0,0,0|1,1,0]=4 2941 B16R1.1672 COC(=O)[C@@H](N)[C@@H](C)OCc1cccnc1 34a_100000004424_100000733263 [0,2,0,0,0,0|1,1,0]=4 2942 B16R1.5822 COC(=O)C(CN)OCCc1ccccc1 34a_100000695228_100000765856 [0,2,0,0,0,0|2,0,0]=4 2943 B16R1.5822 COC(=O)[C@H](COCc1ccccc1)OC 34a_100015277924_200000210301 [0,2,0,0,0,0|1,1,0]=4 2944 B16R1.5822 COC(=O)[C@H](COCc1ccccc1)OC 7a_100015277924_200000210301 [0,2,0,0,0,0|1,1,0]=4 2945 B16R1.5822 COC(=O)[C@H](COCc1ccccc1)O[13CH3] 34a_100015277924_200025704644 [0,2,0,0,0,0|1,1,0]=4 2946 B16R1.5822 COC(=O)[C@H](COCc1ccccc1)O[13CH3] 7a_100015277924_200025704644 [0,2,0,0,0,0|1,1,0]=4 2947 B16R1.14049 C=C(CSCc1ccccc1)C(=O)OCC 62a_100000211182_100000755967 [0,2,0,0,0,0|1,0,1]=4 2948 B16R1.14049 C=C(CSCc1ccccc1)C(=O)OCC 62a_100000755967_100015291786 [0,2,0,0,0,0|1,0,1]=4 2949 B16R1.14049 CC(CCCc1ccccc1)C(=O)CCO 1458a_100011216618_200010759516 [0,2,0,0,0,0|2,0,0]=4 2950 B16R1.14049 CCOC(=O)C(=O)CSCc1ccccc1 62a_100000211182_100000211299 [0,2,0,0,0,0|1,0,1]=4 2951 B16R1.14049 CCOC(=O)C(=O)CSCc1ccccc1 62a_100000211299_100015291786 [0,2,0,0,0,0|1,0,1]=4 2952 B16R1.14049 COCC(=O)C(C)CCCc1ccccc1 1458a_100000210968_200010759516 [0,2,0,0,0,0|2,0,0]=4 2953 B16R1.17144 CNC(=O)C(C)(C)CSCc1ccccc1 62a_100000211182_100000702813 [0,2,0,0,0,0|2,0,0]=4 2954 B16R1.17144 CNC(=O)C(C)(C)CSCc1ccccc1 62a_100000702813_100015291786 [0,2,0,0,0,0|2,0,0]=4 2955 B16R1.17144 COC(=O)C(C)(C)COCc1ccccc1 34a_100000709632_100015291786 [0,2,0,0,0,0|1,1,0]=4 2956 B16R1.17144 COC(=O)C(C)(C)COCc1ccccc1 7a_100000709632_100000211182 [0,2,0,0,0,0|1,1,0]=4 2957 B16R1.17144 COC(=O)C(C)(C)CSCc1ccccc1 62a_100000211182_100000684552 [0,2,0,0,0,0|1,0,0]=3 2958 B16R1.17144 COC(=O)C(C)(C)CSCc1ccccc1 62a_100000684552_100015291786 [0,2,0,0,0,0|1,0,0]=3 2959 B16R1.17144 COC(=O)C(C)(C)CSCc1ccccn1 62a_100000684552_100000721315 [0,2,0,0,0,0|2,0,0]=4 2960 B16R1.17144 COC(=O)C(C)(C)CSCc1ccccn1 62a_100000721315_100000684552 [0,2,0,0,0,0|2,0,0]=4 2961 B16R1.17144 COC(=O)C(C)(C)CSCc1cccnc1 62a_100000684552_100000741622 [0,2,0,0,0,0|2,0,0]=4 2962 B16R1.17144 COC(=O)C(C)(C)CSCc1cccnc1 62a_100000741622_100000684552 [0,2,0,0,0,0|2,0,0]=4 2963 B16R1.17144 COC(=O)C(C)(C)CSCc1ccncc1 62a_100000684552_100015193705 [0,2,0,0,0,0|2,0,0]=4 2964 B16R1.17144 COC(=O)C(C)(C)CSCc1ccncc1 62a_100015193705_100000684552 [0,2,0,0,0,0|2,0,0]=4 2965 B16R1.17144 COC(=O)C(F)(F)CNCc1ccccc1 34a_100015324214_100010295740 [0,2,0,0,0,0|2,0,0]=4 2966 B16R1.17144 COC(=O)C(F)(F)COCc1ccccc1 34a_100000210790_100010295740 [0,2,0,0,0,0|1,1,0]=4 2967 B16R1.17144 COC(=O)C(F)(F)CSCc1ccccc1 62a_100000211182_100010295740 [0,2,0,0,0,0|1,0,0]=3 2968 B16R1.17144 COC(=O)C(F)(F)CSCc1ccccc1 62a_100010295740_100015291786 [0,2,0,0,0,0|1,0,0]=3 2969 B16R1.17144 COC(=O)C(F)(F)CSCc1ccccn1 62a_100000721315_100010295740 [0,2,0,0,0,0|2,0,0]=4 2970 B16R1.17144 COC(=O)C(F)(F)CSCc1ccccn1 62a_100010295740_100000721315 [0,2,0,0,0,0|2,0,0]=4 2971 B16R1.17144 COC(=O)C(F)(F)CSCc1cccnc1 62a_100000741622_100010295740 [0,2,0,0,0,0|2,0,0]=4 2972 B16R1.17144 COC(=O)C(F)(F)CSCc1cccnc1 62a_100010295740_100000741622 [0,2,0,0,0,0|2,0,0]=4 2973 B16R1.17144 COC(=O)C(F)(F)CSCc1ccncc1 62a_100010295740_100015193705 [0,2,0,0,0,0|2,0,0]=4 2974 B16R1.17144 COC(=O)C(F)(F)CSCc1ccncc1 62a_100015193705_100010295740 [0,2,0,0,0,0|2,0,0]=4 2975 B16R1.3274 CNC(CC(=O)Nc1ccccc1)C(=O)O 269956a_100000067582_200000210301 [0,2,0,0,0,0|2,0,0]=4 2976 B16R1.3274 [13CH3]NC(CC(=O)Nc1ccccc1)C(=O)O 269956a_100000067582_200025704644 [0,2,0,0,0,0|2,0,0]=4 2977 B16R1.13691 CCN[C@@H](COCc1ccccc1)C(=O)O 269956a_100011417569_100000210202 [0,2,0,0,0,0|0,1,0]=3 2978 B16R1.13691 CCN[C@@H](CSCc1ccccc1)C(=O)O 269956a_100011418422_100000210202 [0,2,0,0,0,0|0,0,0]=2 2979 B16R1.13691 CCN[C@H](C/C=C/c1ccccc1)C(=O)O 269956a_200011934175_100000210202 [0,2,0,0,0,0|1,0,1]=4 2980 B16R1.13691 O=C(O)[C@@H](C/C=C/c1ccccc1)NCF 269956a_200011934175_100015361967 [0,2,0,0,0,0|1,0,1]=4 2981 B16R1.13691 O=C(O)[C@H](COCc1ccccc1)NCF 269956a_100011417569_100015361967 [0,2,0,0,0,0|0,1,0]=3 2982 B16R1.13691 O=C(O)[C@H](CSCc1ccccc1)NCF 269956a_100011418422_100015361967 [0,2,0,0,0,0|0,0,0]=2 2983 B14R2.2 CC(=O)CC1CCc2c1cccc2 1458a_100000756587_200000210301 [1,0,0,1,0,0|2,0,0]=4 2984 B14R2.2 [13CH3]C(=O)CC1CCc2c1cccc2 1458a_100000756587_200025704644 [1,0,0,1,0,0|2,0,0]=4 2985 B14R2.436 O=C1CC(C1)SCc2ccccc2 62a_100009894365_100015291786 [1,0,0,1,0,0|1,0,0]=3 2986 B14R2.436 O=C1CC(C1)SCc2ccccn2 62a_100009894365_100000721315 [1,0,0,1,0,0|2,0,0]=4 2987 B14R2.436 O=C1CC(C1)SCc2cccnc2 62a_100009894365_100000741622 [1,0,0,1,0,0|2,0,0]=4 2988 B14R2.436 O=C1CC(C1)SCc2ccncc2 62a_100009894365_100015193705 [1,0,0,1,0,0|2,0,0]=4 2989 B14R2.3018 c1ccc(cc1)CSCCC2CO2 62a_100000211182_100000732470 [1,0,0,1,0,0|1,0,1]=4 2990 B14R2.3018 c1ccc(cc1)CSCCC2CO2 62a_100000732470_100015291786 [1,0,0,1,0,0|1,0,1]=4 2991 B14R2.31137 O=C(O)CNC1Cc2c1cccc2 269956a_100016091260_100009813401 [1,0,0,1,0,0|2,0,0]=4 2992 B14R2.31359 CC(=O)C1CCCc2c1cccc2 1458a_100011198263_200000210301 [1,0,0,1,0,0|2,0,0]=4 2993 B14R2.31359 [13CH3]C(=O)C1CCCc2c1cccc2 1458a_100011198263_200025704644 [1,0,0,1,0,0|2,0,0]=4 2994 B14R2.3019 c1ccc(cc1)CSCC2COC2 62a_100000211182_100010264016 [1,0,0,1,0,0|1,0,1]=4 2995 B14R2.3019 c1ccc(cc1)CSCC2COC2 62a_100010264016_100015291786 [1,0,0,1,0,0|1,0,1]=4 2996 B14R2.4881 CC1(CO1)CSCc2ccccc2 62a_100000211182_100000760498 [1,0,0,1,0,0|1,0,1]=4 2997 B14R2.4881 CC1(CO1)CSCc2ccccc2 62a_100000760498_100015291786 [1,0,0,1,0,0|1,0,1]=4 2998 B14R2.779 CC(=O)C1CC(C1)c2ccccc2 1458a_100000746226_200000210301 [0,0,0,1,1,0|2,0,0]=4 2999 B14R2.779 [13CH3]C(=O)C1CC(C1)c2ccccc2 1458a_100000746226_200025704644 [0,0,0,1,1,0|2,0,0]=4 3000 B14R2.781 CC(=O)C1CCc2ccccc2C1 1458a_100011217706_200000210301 [0,0,0,1,1,0|2,0,0]=4 3001 B14R2.781 CC(=O)C1CCc2ccccc2O1 1458a_100000065239_200000210301 [0,0,0,1,1,0|2,0,0]=4 3002 B14R2.781 [13CH3]C(=O)C1CCc2ccccc2C1 1458a_100011217706_200025704644 [0,0,0,1,1,0|2,0,0]=4 3003 B14R2.781 [13CH3]C(=O)C1CCc2ccccc2O1 1458a_100000065239_200025704644 [0,0,0,1,1,0|2,0,0]=4 3004 B16R2.12 C[C@H](NC1CCc2c1cccc2)C(=O)O 269956a_100000743915_200000721974 [0,0,0,1,0,1|2,0,0]=4 3005 B16R2.279 O=C1CCC1CCSCc2ccccc2 62a_100000211182_200016118888 [0,0,0,1,0,1|2,0,0]=4 3006 B16R2.279 O=C1CCC1CCSCc2ccccc2 62a_200016118888_100015291786 [0,0,0,1,0,1|2,0,0]=4 3007 B16R2.279 O=C1CCC1SCSCc2ccccc2 62a_100009892977_200011217039 [0,0,0,1,0,1|2,0,0]=4 3008 B16R2.279 O=C1CCC1SCSCc2ccccc2 62a_200011217039_100009892977 [0,0,0,1,0,1|2,0,0]=4 3009 B16R2.2884 CC1=CC(OC1=O)SCc2ccccc2 62a_100000211182_200009893386 [0,0,0,1,0,1|1,0,1]=4 3010 B16R2.2884 CC1=CC(OC1=O)SCc2ccccc2 62a_200009893386_100015291786 [0,0,0,1,0,1|1,0,1]=4 3011 B16R2.27150 O=C(O)[C@H]1C[C@H](C1)NCc2ccccc2 269956a_100000738708_100015291786 [0,0,0,1,0,1|2,0,0]=4 3012 B16R2.244211 CC(CNC1Cc2c1cccc2)C(=O)O 269956a_100000749485_100009813401 [0,0,0,1,0,1|2,0,0]=4 3013 B16R2.244211 O=C(O)C(F)CNC1Cc2c1cccc2 269956a_100000084737_100009813401 [0,0,0,1,0,1|2,0,0]=4 3014 B16R2.468 O=C(O)CC1CN(C1)Cc2ccccc2 269956a_100016993960_100015291786 [0,0,0,1,0,1|2,0,0]=4 3015 B16R2.2832 O=C1C=C(CO1)CSCc2ccccc2 62a_100000211182_100000716558 [0,0,0,1,0,1|1,0,1]=4 3016 B16R2.2832 O=C1C=C(CO1)CSCc2ccccc2 62a_100000716558_100015291786 [0,0,0,1,0,1|1,0,1]=4 3017 B16R2.2832 O=C1CC[C@H](N1)CSCc2ccccc2 62a_100000211182_100015189358 [0,0,0,1,0,1|2,0,0]=4 3018 B16R2.2832 O=C1CC[C@H](N1)CSCc2ccccc2 62a_100015189358_100015291786 [0,0,0,1,0,1|2,0,0]=4 3019 B16R2.2832 O=C1NCC(O1)CSCc2ccccc2 62a_100000181169_100015291786 [0,0,0,1,0,1|2,0,0]=4 3020 B16R2.2832 O=C1NCC(O1)CSCc2ccccc2 62a_100000211182_100000181169 [0,0,0,1,0,1|2,0,0]=4 3021 B16R2.2832 O=C1N[C@H](CO1)CNCc2ccccc2 2230a_100015324214_100015307671 [0,0,0,1,0,1|2,0,0]=4 3022 B16R2.2832 O=C1N[C@H](CO1)CNCc2ccccc2 34a_100015324214_100015307671 [0,0,0,1,0,1|2,0,0]=4 3023 B16R2.2832 O=C1N[C@H](CO1)COCc2ccccc2 34a_100000210790_100015307671 [0,0,0,1,0,1|1,1,0]=4 3024 B16R2.2832 O=C1N[C@H](CO1)COCc2ccccc2 7a_100000210790_100015307671 [0,0,0,1,0,1|1,1,0]=4 3025 B16R2.2832 O=C1N[C@H](CO1)CSCc2ccccc2 62a_100000211182_100015307671 [0,0,0,1,0,1|1,0,0]=3 3026 B16R2.2832 O=C1N[C@H](CO1)CSCc2ccccc2 62a_100015307671_100015291786 [0,0,0,1,0,1|1,0,0]=3 3027 B16R2.2832 O=C1N[C@H](CO1)CSCc2ccccn2 62a_100000721315_100015307671 [0,0,0,1,0,1|2,0,0]=4 3028 B16R2.2832 O=C1N[C@H](CO1)CSCc2ccccn2 62a_100015307671_100000721315 [0,0,0,1,0,1|2,0,0]=4 3029 B16R2.2832 O=C1N[C@H](CO1)CSCc2cccnc2 62a_100000741622_100015307671 [0,0,0,1,0,1|2,0,0]=4 3030 B16R2.2832 O=C1N[C@H](CO1)CSCc2cccnc2 62a_100015307671_100000741622 [0,0,0,1,0,1|2,0,0]=4 3031 B16R2.2832 O=C1N[C@H](CO1)CSCc2ccncc2 62a_100015193705_100015307671 [0,0,0,1,0,1|2,0,0]=4 3032 B16R2.2832 O=C1N[C@H](CO1)CSCc2ccncc2 62a_100015307671_100015193705 [0,0,0,1,0,1|2,0,0]=4 3033 B16R2.2832 O=C1OCC(O1)CNCc2ccccc2 34a_100015324214_100000073702 [0,0,0,1,0,1|2,0,0]=4 3034 B16R2.2832 O=C1OCC(O1)COCc2ccccc2 34a_100000210790_100000073702 [0,0,0,1,0,1|1,1,0]=4 3035 B16R2.2832 O=C1OCC(O1)CSCc2ccccc2 62a_100000073702_100015291786 [0,0,0,1,0,1|1,0,0]=3 3036 B16R2.2832 O=C1OCC(O1)CSCc2ccccc2 62a_100000211182_100000073702 [0,0,0,1,0,1|1,0,0]=3 3037 B16R2.2832 O=C1OCC(O1)CSCc2ccccn2 62a_100000073702_100000721315 [0,0,0,1,0,1|2,0,0]=4 3038 B16R2.2832 O=C1OCC(O1)CSCc2ccccn2 62a_100000721315_100000073702 [0,0,0,1,0,1|2,0,0]=4 3039 B16R2.2832 O=C1OCC(O1)CSCc2cccnc2 62a_100000073702_100000741622 [0,0,0,1,0,1|2,0,0]=4 3040 B16R2.2832 O=C1OCC(O1)CSCc2cccnc2 62a_100000741622_100000073702 [0,0,0,1,0,1|2,0,0]=4 3041 B16R2.2832 O=C1OCC(O1)CSCc2ccncc2 62a_100000073702_100015193705 [0,0,0,1,0,1|2,0,0]=4 3042 B16R2.2832 O=C1OCC(O1)CSCc2ccncc2 62a_100015193705_100000073702 [0,0,0,1,0,1|2,0,0]=4 3043 B16R2.1227 COC(=O)C1CN(C1)Cc2ccccc2 269982a_100015188540_100000211182 [0,1,0,1,0,0|2,0,0]=4 3044 B16R2.1227 COC(=O)C1CN(C1)Cc2ccccc2 270004a_100015188540_100015611070 [0,1,0,1,0,0|2,0,0]=4 3045 B16R2.12348 CN1C(CSC1c2ccccc2)C(=O)O 269956a_100000238251_200000210301 [0,1,0,1,0,0|0,0,0]=2 3046 B16R2.12348 CN1C(CSC1c2cccnc2)C(=O)O 269956a_100000186631_200000210301 [0,1,0,1,0,0|1,0,0]=3 3047 B16R2.12348 [13CH3]N1C(CSC1c2ccccc2)C(=O)O 269956a_100000238251_200025704644 [0,1,0,1,0,0|0,0,0]=2 3048 B16R2.12348 [13CH3]N1C(CSC1c2cccnc2)C(=O)O 269956a_100000186631_200025704644 [0,1,0,1,0,0|1,0,0]=3 3049 B16R2.27620 O=C(O)C1(CC1)CNCc2ccccc2 269956a_100000703410_100015291786 [0,1,0,1,0,0|2,0,0]=4 3050 B16R2.61990 CNC1(CCCc2c1cccc2)C(=O)O 269956a_100015185804_200000210301 [0,1,0,1,0,0|1,0,0]=3 3051 B16R2.61990 [13CH3]NC1(CCCc2c1cccc2)C(=O)O 269956a_100015185804_200025704644 [0,1,0,1,0,0|1,0,0]=3 3052 B12R1.255 CC(=O)CCSCc1ccsc1 62a_100000053229_100011233845 [1,0,0,0,1,0|2,0,0]=4 3053 B12R1.255 CC(=O)CCSCc1ccsc1 62a_100011261437_100000053229 [1,0,0,0,1,0|2,0,0]=4 3054 B12R1.255 NC(=O)CCSCc1ccsc1 62a_100000744528_100011233845 [1,0,0,0,1,0|2,0,0]=4 3055 B12R1.255 NC(=O)CCSCc1ccsc1 62a_100011261437_100000744528 [1,0,0,0,1,0|2,0,0]=4 3056 B12R1.27 C=CC(C)SCc1ccccc1 62a_100011215867_100015291786 [1,0,0,0,1,0|2,0,0]=4 3057 B12R1.27 C=CC(O)CSc1ccccc1 62a_100000719477_100000730141 [1,0,0,0,1,0|2,0,0]=4 3058 B12R1.27 C=CC(O)CSc1ccccc1 62a_100000730141_100000041952 [1,0,0,0,1,0|2,0,0]=4 3059 B12R1.27 CC(CO)SCc1ccccc1 62a_100012180447_100015291786 [1,0,0,0,1,0|1,0,1]=4 3060 B12R1.27 C[C@@H](CO)CSc1ccccc1 62a_100000059175_100000041952 [1,0,0,0,1,0|1,0,1]=4 3061 B12R1.27 C[C@@H](CO)CSc1ccccc1 62a_100000719477_100000059175 [1,0,0,0,1,0|1,0,1]=4 3062 B12R1.27 C[C@H](CO)SCc1ccccc1 62a_100000211182_100016084084 [1,0,0,0,1,0|1,0,1]=4 3063 B12R1.27 C[C@H](CO)SCc1ccccc1 62a_100016084084_100015291786 [1,0,0,0,1,0|1,0,1]=4 3064 B12R1.27 OCC(O)CSc1ccccc1 62a_100000719477_100011219619 [1,0,0,0,1,0|1,0,1]=4 3065 B12R1.27 OCC(O)CSc1ccccc1 62a_100011219619_100000041952 [1,0,0,0,1,0|1,0,1]=4 3066 B12R1.27 OC[C@H](O)CSc1ccccc1 62a_100000719477_100009815848 [1,0,0,0,1,0|1,0,1]=4 3067 B12R1.27 OC[C@H](O)CSc1ccccc1 62a_100009815848_100000041952 [1,0,0,0,1,0|1,0,1]=4 3068 B12R1.43 CC(=O)C(C)Cc1ccccc1 1458a_100000070787_200011218536 [0,0,0,0,2,0|2,0,0]=4 3069 B12R1.43 CC(=O)C(C)Cc1ccccc1 1458a_100000754839_200000210301 [0,0,0,0,2,0|2,0,0]=4 3070 B12R1.43 CC(=O)C(C)Sc1ccccc1 1458a_100000199063_200000210301 [0,0,0,0,2,0|2,0,0]=4 3071 B12R1.43 CC(=O)C(C)Sc1ccccc1 62a_100000719477_100009814033 [0,0,0,0,2,0|2,0,0]=4 3072 B12R1.43 CC(=O)C(C)Sc1ccccc1 62a_100009814033_100000041952 [0,0,0,0,2,0|2,0,0]=4 3073 B12R1.43 CC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200000210301 [0,0,0,0,2,0|2,0,0]=4 3074 B12R1.43 CC(Cc1ccccc1)C(=O)[13CH3] 1458a_100000754839_200025704644 [0,0,0,0,2,0|2,0,0]=4 3075 B12R1.43 CC(Sc1ccccc1)C(=O)N 62a_100000702099_100000041952 [0,0,0,0,2,0|2,0,0]=4 3076 B12R1.43 CC(Sc1ccccc1)C(=O)N 62a_100000719477_100000702099 [0,0,0,0,2,0|2,0,0]=4 3077 B12R1.43 CC(Sc1ccccc1)C(=O)[13CH3] 1458a_100000199063_200025704644 [0,0,0,0,2,0|2,0,0]=4 3078 B12R1.43 NC(=O)C(F)Sc1ccccc1 62a_100000719477_100009813875 [0,0,0,0,2,0|2,0,0]=4 3079 B12R1.43 NC(=O)C(F)Sc1ccccc1 62a_100009813875_100000041952 [0,0,0,0,2,0|2,0,0]=4 3080 B12R1.43 O=C([O-])C(F)Sc1ccccc1 62a_100000719477_100020610796 [0,0,0,0,2,0|1,0,1]=4 3081 B12R1.43 O=C([O-])C(F)Sc1ccccc1 62a_100020610796_100000041952 [0,0,0,0,2,0|1,0,1]=4 3082 B12R1.43 [13CH3]C(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200025704644 [0,0,0,0,2,0|2,0,0]=4 3083 B14R1.422 C=C(C)CCSCCc1ccccc1 62a_100000730704_100011218657 [1,0,0,0,0,1|2,0,0]=4 3084 B14R1.422 C=C(C)CCSCCc1ccccc1 62a_100000765856_100000730704 [1,0,0,0,0,1|2,0,0]=4 3085 B14R1.422 C=C(C)CCSCSc1ccccc1 62a_100000730704_100011218342 [1,0,0,0,0,1|2,0,0]=4 3086 B14R1.422 C=C(C)CCSCSc1ccccc1 62a_100011218342_100000730704 [1,0,0,0,0,1|2,0,0]=4 3087 B14R1.422 C=C(C)COCSCc1ccccc1 34a_100000210245_200011217039 [1,0,0,0,0,1|2,0,0]=4 3088 B14R1.422 C=C(C)CSCSCc1ccccc1 62a_100000748629_200011217039 [1,0,0,0,0,1|2,0,0]=4 3089 B14R1.422 C=C(C)CSCSCc1ccccc1 62a_200011217039_100000211660 [1,0,0,0,0,1|2,0,0]=4 3090 B14R1.422 C=C(F)COCSCc1ccccc1 34a_200010262243_200011217039 [1,0,0,0,0,1|2,0,0]=4 3091 B14R1.422 C=C(F)CSCSCc1ccccc1 62a_100000042424_200011217039 [1,0,0,0,0,1|2,0,0]=4 3092 B14R1.422 C=C(F)CSCSCc1ccccc1 62a_200011217039_100000042424 [1,0,0,0,0,1|2,0,0]=4 3093 B14R1.422 CC(=CCCSCc1ccccc1)C 62a_100000211182_100011217483 [1,0,0,0,0,1|2,0,0]=4 3094 B14R1.422 CC(=CCCSCc1ccccc1)C 62a_100011217483_100015291786 [1,0,0,0,0,1|2,0,0]=4 3095 B14R1.422 CC(=O)CCCCCc1ccccc1 1458a_100000070787_200011217138 [1,0,0,0,0,1|2,0,0]=4 3096 B14R1.422 CC(=O)CCCCCc1ccccc1 1458a_100011216832_200000210301 [1,0,0,0,0,1|2,0,0]=4 3097 B14R1.422 CC(=O)CCCCNc1ccccc1 34a_100000106764_100009817362 [1,0,0,0,0,1|2,0,0]=4 3098 B14R1.422 CC(=O)CCCCOc1ccccc1 1458a_100000070787_100011215240 [1,0,0,0,0,1|2,0,0]=4 3099 B14R1.422 CC(=O)CCCCOc1ccccc1 1458a_200011216290_200000210301 [1,0,0,0,0,1|2,0,0]=4 3100 B14R1.422 CC(=O)CCCCOc1ccccc1 34a_100000210340_100009817362 [1,0,0,0,0,1|2,0,0]=4 3101 B14R1.422 CC(=O)CCCCOc1ccccc1 7a_100000210340_100000735457 [1,0,0,0,0,1|2,0,0]=4 3102 B14R1.422 CC(=O)CCCCSc1ccccc1 62a_100000719477_100000735457 [1,0,0,0,0,1|2,0,0]=4 3103 B14R1.422 CC(=O)CCCCSc1ccccc1 62a_100000735457_100000041952 [1,0,0,0,0,1|2,0,0]=4 3104 B14R1.422 CC(=O)CCCNCc1ccccc1 34a_100015324214_100000685027 [1,0,0,0,0,1|2,0,0]=4 3105 B14R1.422 CC(=O)CCCOCc1ccccc1 1458a_100000070787_100011215529 [1,0,0,0,0,1|1,1,0]=4 3106 B14R1.422 CC(=O)CCCOCc1ccccc1 1458a_100000748059_200000210301 [1,0,0,0,0,1|1,1,0]=4 3107 B14R1.422 CC(=O)CCCOCc1ccccc1 34a_100000210790_100000685027 [1,0,0,0,0,1|1,1,0]=4 3108 B14R1.422 CC(=O)CCCOCc1ccccc1 34a_100000759063_100015291786 [1,0,0,0,0,1|1,1,0]=4 3109 B14R1.422 CC(=O)CCCOCc1ccccc1 7a_100000210790_100011215641 [1,0,0,0,0,1|1,1,0]=4 3110 B14R1.422 CC(=O)CCCOCc1ccccc1 7a_100000759063_100000211182 [1,0,0,0,0,1|1,1,0]=4 3111 B14R1.422 CC(=O)CCCSCc1ccccc1 62a_100000211182_100011215641 [1,0,0,0,0,1|1,0,0]=3 3112 B14R1.422 CC(=O)CCCSCc1ccccc1 62a_100011215641_100015291786 [1,0,0,0,0,1|1,0,0]=3 3113 B14R1.422 CC(=O)CCCSCc1ccccn1 62a_100000721315_100011215641 [1,0,0,0,0,1|2,0,0]=4 3114 B14R1.422 CC(=O)CCCSCc1ccccn1 62a_100011215641_100000721315 [1,0,0,0,0,1|2,0,0]=4 3115 B14R1.422 CC(=O)CCCSCc1cccnc1 62a_100000741622_100011215641 [1,0,0,0,0,1|2,0,0]=4 3116 B14R1.422 CC(=O)CCCSCc1cccnc1 62a_100011215641_100000741622 [1,0,0,0,0,1|2,0,0]=4 3117 B14R1.422 CC(=O)CCCSCc1ccncc1 62a_100011215641_100015193705 [1,0,0,0,0,1|2,0,0]=4 3118 B14R1.422 CC(=O)CCCSCc1ccncc1 62a_100015193705_100011215641 [1,0,0,0,0,1|2,0,0]=4 3119 B14R1.422 CC(=O)CCOCCc1ccccc1 34a_100000759926_100000765856 [1,0,0,0,0,1|1,1,0]=4 3120 B14R1.422 CC(=O)CCOCCc1ccccc1 7a_100000210268_100000053229 [1,0,0,0,0,1|1,1,0]=4 3121 B14R1.422 CC(=O)CCOCCc1ccccc1 7a_100000759926_100000765856 [1,0,0,0,0,1|1,1,0]=4 3122 B14R1.422 CC(=O)CCSCCc1ccccc1 62a_100000053229_100011218657 [1,0,0,0,0,1|1,0,0]=3 3123 B14R1.422 CC(=O)CCSCCc1ccccc1 62a_100000765856_100000053229 [1,0,0,0,0,1|1,0,0]=3 3124 B14R1.422 CC(=O)CCSCCc1ccccn1 62a_100000053229_100015183660 [1,0,0,0,0,1|2,0,0]=4 3125 B14R1.422 CC(=O)CCSCCc1ccccn1 62a_100015183660_100000053229 [1,0,0,0,0,1|2,0,0]=4 3126 B14R1.422 CC(=O)CCSCCc1cccnc1 62a_100000053229_200011713674 [1,0,0,0,0,1|2,0,0]=4 3127 B14R1.422 CC(=O)CCSCCc1cccnc1 62a_200011713674_100000053229 [1,0,0,0,0,1|2,0,0]=4 3128 B14R1.422 CC(=O)CCSCCc1ccncc1 62a_100000053229_100000723409 [1,0,0,0,0,1|2,0,0]=4 3129 B14R1.422 CC(=O)CCSCCc1ccncc1 62a_100000723409_100000053229 [1,0,0,0,0,1|2,0,0]=4 3130 B14R1.422 CC(=O)CCSCSc1ccccc1 62a_100000053229_100011218342 [1,0,0,0,0,1|1,0,0]=3 3131 B14R1.422 CC(=O)CCSCSc1ccccc1 62a_100011218342_100000053229 [1,0,0,0,0,1|1,0,0]=3 3132 B14R1.422 CC(=O)COCCCc1ccccc1 34a_100000211253_100000211621 [1,0,0,0,0,1|2,0,0]=4 3133 B14R1.422 CC(=O)COCOCc1ccccc1 34a_100000211253_100000763385 [1,0,0,0,0,1|1,1,0]=4 3134 B14R1.422 CC(=O)COCSCc1ccccc1 34a_100000211253_200011217039 [1,0,0,0,0,1|1,0,0]=3 3135 B14R1.422 CC(=O)NCCCCc1ccccc1 11a_100015280158_100015343762 [1,0,0,0,0,1|2,0,0]=4 3136 B14R1.422 CC(=O)NCCCCc1ccccc1 1626a_100015280158_100015343762 [1,0,0,0,0,1|2,0,0]=4 3137 B14R1.422 CC(=O)NCCCCc1ccccc1 240690a_100015280158_100015343762 [1,0,0,0,0,1|2,0,0]=4 3138 B14R1.422 CC(=O)NCCCCc1ccccc1 527a_100015280158_100103153847 [1,0,0,0,0,1|2,0,0]=4 3139 B14R1.422 CC(=O)NCCNCc1ccccc1 207a_100000209853_100015611070 [1,0,0,0,0,1|2,0,0]=4 3140 B14R1.422 CC(=O)NCCNCc1ccccc1 2230a_100000209853_100015291786 [1,0,0,0,0,1|2,0,0]=4 3141 B14R1.422 CC(=O)NCCNCc1ccccc1 2230a_100015324214_100000189650 [1,0,0,0,0,1|2,0,0]=4 3142 B14R1.422 CC(=O)NCCOCc1ccccc1 11a_100000753106_100015343762 [1,0,0,0,0,1|1,1,0]=4 3143 B14R1.422 CC(=O)NCCOCc1ccccc1 1626a_100000753106_100015343762 [1,0,0,0,0,1|1,1,0]=4 3144 B14R1.422 CC(=O)NCCOCc1ccccc1 240690a_100000753106_100015343762 [1,0,0,0,0,1|1,1,0]=4 3145 B14R1.422 CC(=O)NCCOCc1ccccc1 34a_100000158858_100015291786 [1,0,0,0,0,1|1,1,0]=4 3146 B14R1.422 CC(=O)NCCOCc1ccccc1 527a_100000753106_100103153847 [1,0,0,0,0,1|1,1,0]=4 3147 B14R1.422 CC(=O)NCCOCc1ccccc1 7a_100000210790_100000189650 [1,0,0,0,0,1|1,1,0]=4 3148 B14R1.422 CC(=O)NCCSCc1ccccc1 11a_100000189534_100015343762 [1,0,0,0,0,1|1,0,0]=3 3149 B14R1.422 CC(=O)NCCSCc1ccccc1 240690a_100000189534_100015343762 [1,0,0,0,0,1|1,0,0]=3 3150 B14R1.422 CC(=O)NCCSCc1ccccc1 527a_100000189534_100103153847 [1,0,0,0,0,1|1,0,0]=3 3151 B14R1.422 CC(=O)NCCSCc1ccccc1 62a_100000189650_100015291786 [1,0,0,0,0,1|1,0,0]=3 3152 B14R1.422 CC(=O)NCCSCc1ccccc1 62a_100000211182_100000189650 [1,0,0,0,0,1|1,0,0]=3 3153 B14R1.422 CC(=O)NCCSCc1ccccn1 62a_100000189650_100000721315 [1,0,0,0,0,1|2,0,0]=4 3154 B14R1.422 CC(=O)NCCSCc1ccccn1 62a_100000721315_100000189650 [1,0,0,0,0,1|2,0,0]=4 3155 B14R1.422 CC(=O)NCCSCc1cccnc1 62a_100000189650_100000741622 [1,0,0,0,0,1|2,0,0]=4 3156 B14R1.422 CC(=O)NCCSCc1cccnc1 62a_100000741622_100000189650 [1,0,0,0,0,1|2,0,0]=4 3157 B14R1.422 CC(=O)NCCSCc1ccncc1 62a_100000189650_100015193705 [1,0,0,0,0,1|2,0,0]=4 3158 B14R1.422 CC(=O)NCCSCc1ccncc1 62a_100015193705_100000189650 [1,0,0,0,0,1|2,0,0]=4 3159 B14R1.422 CC(=O)OCCNCc1ccccc1 34a_100015324214_100009814007 [1,0,0,0,0,1|2,0,0]=4 3160 B14R1.422 CC(=O)OCCOCc1ccccc1 34a_100000210790_100009814007 [1,0,0,0,0,1|1,1,0]=4 3161 B14R1.422 CC(=O)OCCOCc1ccccc1 7a_100000210790_100009814007 [1,0,0,0,0,1|1,1,0]=4 3162 B14R1.422 CC(=O)OCCSCc1ccccc1 62a_100000211182_100009814007 [1,0,0,0,0,1|1,0,0]=3 3163 B14R1.422 CC(=O)OCCSCc1ccccc1 62a_100009814007_100015291786 [1,0,0,0,0,1|1,0,0]=3 3164 B14R1.422 CC(=O)OCCSCc1ccccn1 62a_100000721315_100009814007 [1,0,0,0,0,1|2,0,0]=4 3165 B14R1.422 CC(=O)OCCSCc1ccccn1 62a_100009814007_100000721315 [1,0,0,0,0,1|2,0,0]=4 3166 B14R1.422 CC(=O)OCCSCc1cccnc1 62a_100000741622_100009814007 [1,0,0,0,0,1|2,0,0]=4 3167 B14R1.422 CC(=O)OCCSCc1cccnc1 62a_100009814007_100000741622 [1,0,0,0,0,1|2,0,0]=4 3168 B14R1.422 CC(=O)OCCSCc1ccncc1 62a_100009814007_100015193705 [1,0,0,0,0,1|2,0,0]=4 3169 B14R1.422 CC(=O)OCCSCc1ccncc1 62a_100015193705_100009814007 [1,0,0,0,0,1|2,0,0]=4 3170 B14R1.422 CC(=O)OCSCCc1ccccc1 62a_100000076356_100011218657 [1,0,0,0,0,1|2,0,0]=4 3171 B14R1.422 CC(=O)OCSCCc1ccccc1 62a_100000765856_100000076356 [1,0,0,0,0,1|2,0,0]=4 3172 B14R1.422 CC(=O)OCSCSc1ccccc1 62a_100000076356_100011218342 [1,0,0,0,0,1|2,0,0]=4 3173 B14R1.422 CC(=O)OCSCSc1ccccc1 62a_100011218342_100000076356 [1,0,0,0,0,1|2,0,0]=4 3174 B14R1.422 CC(O)CCCSCc1ccccc1 62a_100000211182_200000718107 [1,0,0,0,0,1|1,0,1]=4 3175 B14R1.422 CC(O)CCCSCc1ccccc1 62a_200000718107_100015291786 [1,0,0,0,0,1|1,0,1]=4 3176 B14R1.422 CC(O)CCSCCc1ccccc1 62a_100000765856_100012276601 [1,0,0,0,0,1|1,0,1]=4 3177 B14R1.422 CC(O)CCSCCc1ccccc1 62a_100012276601_100011218657 [1,0,0,0,0,1|1,0,1]=4 3178 B14R1.422 CC(O)CCSCSc1ccccc1 62a_100011218342_100012276601 [1,0,0,0,0,1|1,0,1]=4 3179 B14R1.422 CC(O)CCSCSc1ccccc1 62a_100012276601_100011218342 [1,0,0,0,0,1|1,0,1]=4 3180 B14R1.422 CC(O)CNCSCc1ccccc1 2230a_100000210904_200011217039 [1,0,0,0,0,1|1,0,1]=4 3181 B14R1.422 CC(O)CNCSCc1ccccc1 34a_100000210904_200011217039 [1,0,0,0,0,1|1,0,1]=4 3182 B14R1.422 CC(O)CSCSCc1ccccc1 62a_100011218427_200011217039 [1,0,0,0,0,1|1,0,1]=4 3183 B14R1.422 CC(O)CSCSCc1ccccc1 62a_200011217039_100011218427 [1,0,0,0,0,1|1,0,1]=4 3184 B14R1.422 C[C@@H](O)CSCSCc1ccccc1 62a_100009817552_200011217039 [1,0,0,0,0,1|1,0,1]=4 3185 B14R1.422 C[C@@H](O)CSCSCc1ccccc1 62a_200011217039_100009817552 [1,0,0,0,0,1|1,0,1]=4 3186 B14R1.422 FC(=CCCSCc1ccccc1)F 62a_100000211182_200009816681 [1,0,0,0,0,1|2,0,0]=4 3187 B14R1.422 FC(=CCCSCc1ccccc1)F 62a_200009816681_100015291786 [1,0,0,0,0,1|2,0,0]=4 3188 B14R1.422 NC(=O)CCCNCc1ccccc1 34a_100000739312_100015291786 [1,0,0,0,0,1|2,0,0]=4 3189 B14R1.422 NC(=O)CCCNCc1ccccc1 34a_100015324214_100102525003 [1,0,0,0,0,1|2,0,0]=4 3190 B14R1.422 NC(=O)CCCOCc1ccccc1 34a_100000210790_100102525003 [1,0,0,0,0,1|1,1,0]=4 3191 B14R1.422 NC(=O)CCCOCc1ccccc1 7a_100000210790_100102525003 [1,0,0,0,0,1|1,1,0]=4 3192 B14R1.422 NC(=O)CCCSCc1ccccc1 62a_100000211182_100102525003 [1,0,0,0,0,1|1,0,0]=3 3193 B14R1.422 NC(=O)CCCSCc1ccccc1 62a_100102525003_100015291786 [1,0,0,0,0,1|1,0,0]=3 3194 B14R1.422 NC(=O)CCCSCc1ccccn1 62a_100000721315_100102525003 [1,0,0,0,0,1|2,0,0]=4 3195 B14R1.422 NC(=O)CCCSCc1ccccn1 62a_100102525003_100000721315 [1,0,0,0,0,1|2,0,0]=4 3196 B14R1.422 NC(=O)CCCSCc1cccnc1 62a_100000741622_100102525003 [1,0,0,0,0,1|2,0,0]=4 3197 B14R1.422 NC(=O)CCCSCc1cccnc1 62a_100102525003_100000741622 [1,0,0,0,0,1|2,0,0]=4 3198 B14R1.422 NC(=O)CCCSCc1ccncc1 62a_100015193705_100102525003 [1,0,0,0,0,1|2,0,0]=4 3199 B14R1.422 NC(=O)CCCSCc1ccncc1 62a_100102525003_100015193705 [1,0,0,0,0,1|2,0,0]=4 3200 B14R1.422 NC(=O)CCNCCc1ccccc1 2230a_100000106460_100000744528 [1,0,0,0,0,1|2,0,0]=4 3201 B14R1.422 NC(=O)CCNCCc1ccccc1 34a_100000106460_100000731001 [1,0,0,0,0,1|2,0,0]=4 3202 B14R1.422 NC(=O)CCOCCc1ccccc1 34a_100000210268_100000731001 [1,0,0,0,0,1|1,1,0]=4 3203 B14R1.422 NC(=O)CCOCCc1ccccc1 34a_100000757172_100000765856 [1,0,0,0,0,1|1,1,0]=4 3204 B14R1.422 NC(=O)CCOCCc1ccccc1 7a_100000210268_100000744528 [1,0,0,0,0,1|1,1,0]=4 3205 B14R1.422 NC(=O)CCOCCc1ccccc1 7a_100000757172_100000765856 [1,0,0,0,0,1|1,1,0]=4 3206 B14R1.422 NC(=O)CCSCCc1ccccc1 62a_100000744528_100011218657 [1,0,0,0,0,1|1,0,0]=3 3207 B14R1.422 NC(=O)CCSCCc1ccccc1 62a_100000765856_100000744528 [1,0,0,0,0,1|1,0,0]=3 3208 B14R1.422 NC(=O)CCSCCc1ccccn1 62a_100000744528_100015183660 [1,0,0,0,0,1|2,0,0]=4 3209 B14R1.422 NC(=O)CCSCCc1ccccn1 62a_100015183660_100000744528 [1,0,0,0,0,1|2,0,0]=4 3210 B14R1.422 NC(=O)CCSCCc1cccnc1 62a_100000744528_200011713674 [1,0,0,0,0,1|2,0,0]=4 3211 B14R1.422 NC(=O)CCSCCc1cccnc1 62a_200011713674_100000744528 [1,0,0,0,0,1|2,0,0]=4 3212 B14R1.422 NC(=O)CCSCCc1ccncc1 62a_100000723409_100000744528 [1,0,0,0,0,1|2,0,0]=4 3213 B14R1.422 NC(=O)CCSCCc1ccncc1 62a_100000744528_100000723409 [1,0,0,0,0,1|2,0,0]=4 3214 B14R1.422 NC(=O)CCSCSc1ccccc1 62a_100000744528_100011218342 [1,0,0,0,0,1|1,0,0]=3 3215 B14R1.422 NC(=O)CCSCSc1ccccc1 62a_100011218342_100000744528 [1,0,0,0,0,1|1,0,0]=3 3216 B14R1.422 NC(=O)CNCCCc1ccccc1 2230a_100000211184_100000747473 [1,0,0,0,0,1|2,0,0]=4 3217 B14R1.422 NC(=O)CNCCCc1ccccc1 2230a_100000711301_100000211621 [1,0,0,0,0,1|2,0,0]=4 3218 B14R1.422 NC(=O)CNCCCc1ccccc1 34a_100000211184_100000187820 [1,0,0,0,0,1|2,0,0]=4 3219 B14R1.422 NC(=O)CNCOCc1ccccc1 2230a_100000711301_100000763385 [1,0,0,0,0,1|1,1,0]=4 3220 B14R1.422 NC(=O)CNCSCc1ccccc1 2230a_100000711301_200011217039 [1,0,0,0,0,1|1,0,0]=3 3221 B14R1.422 NC(=O)COCCCc1ccccc1 34a_100000210828_100000187820 [1,0,0,0,0,1|2,0,0]=4 3222 B14R1.422 NC(=O)COCCCc1ccccc1 7a_100000210828_100000187820 [1,0,0,0,0,1|2,0,0]=4 3223 B14R1.422 NC(=O)CSCCCc1ccccc1 62a_100000211621_100000747473 [1,0,0,0,0,1|2,0,0]=4 3224 B14R1.422 NC(=O)CSCCCc1ccccc1 62a_100000747473_100000211621 [1,0,0,0,0,1|2,0,0]=4 3225 B14R1.422 NC(=O)CSCOCc1ccccc1 62a_100000747473_100000763385 [1,0,0,0,0,1|1,1,0]=4 3226 B14R1.422 NC(=O)CSCOCc1ccccc1 62a_100000763385_100000747473 [1,0,0,0,0,1|1,1,0]=4 3227 B14R1.422 NC(=O)CSCSCc1ccccc1 62a_100000747473_200011217039 [1,0,0,0,0,1|1,0,0]=3 3228 B14R1.422 NC(=O)CSCSCc1ccccc1 62a_200011217039_100000747473 [1,0,0,0,0,1|1,0,0]=3 3229 B14R1.422 NC(=O)NCCNCc1ccccc1 207a_100020590234_100015611070 [1,0,0,0,0,1|2,0,0]=4 3230 B14R1.422 NC(=O)NCCNCc1ccccc1 2230a_100015324214_200000034859 [1,0,0,0,0,1|2,0,0]=4 3231 B14R1.422 NC(=O)NCCNCc1ccccc1 34a_100020590234_100015291786 [1,0,0,0,0,1|2,0,0]=4 3232 B14R1.422 NC(=O)NCCOCc1ccccc1 34a_100000181757_100015291786 [1,0,0,0,0,1|1,1,0]=4 3233 B14R1.422 NC(=O)NCCOCc1ccccc1 7a_100000210790_200000034859 [1,0,0,0,0,1|1,1,0]=4 3234 B14R1.422 NC(=O)NCCSCc1ccccc1 62a_100000211182_200000034859 [1,0,0,0,0,1|1,0,0]=3 3235 B14R1.422 NC(=O)NCCSCc1ccccc1 62a_200000034859_100015291786 [1,0,0,0,0,1|1,0,0]=3 3236 B14R1.422 NC(=O)NCCSCc1ccccn1 62a_100000721315_200000034859 [1,0,0,0,0,1|2,0,0]=4 3237 B14R1.422 NC(=O)NCCSCc1ccccn1 62a_200000034859_100000721315 [1,0,0,0,0,1|2,0,0]=4 3238 B14R1.422 NC(=O)NCCSCc1cccnc1 62a_100000741622_200000034859 [1,0,0,0,0,1|2,0,0]=4 3239 B14R1.422 NC(=O)NCCSCc1cccnc1 62a_200000034859_100000741622 [1,0,0,0,0,1|2,0,0]=4 3240 B14R1.422 NC(=O)NCCSCc1ccncc1 62a_100015193705_200000034859 [1,0,0,0,0,1|2,0,0]=4 3241 B14R1.422 NC(=O)NCCSCc1ccncc1 62a_200000034859_100015193705 [1,0,0,0,0,1|2,0,0]=4 3242 B14R1.422 NC(=O)OCCNCc1ccccc1 34a_100015324214_200011214921 [1,0,0,0,0,1|2,0,0]=4 3243 B14R1.422 NC(=O)OCCOCc1ccccc1 34a_100000210790_200011214921 [1,0,0,0,0,1|1,1,0]=4 3244 B14R1.422 NC(=O)OCCOCc1ccccc1 7a_100000210790_200011214921 [1,0,0,0,0,1|1,1,0]=4 3245 B14R1.422 NC(=O)OCCOCc1ccccc1 7a_100000766696_100000211182 [1,0,0,0,0,1|1,1,0]=4 3246 B14R1.422 NC(=O)OCCSCc1ccccc1 62a_100000211182_200011214921 [1,0,0,0,0,1|1,0,0]=3 3247 B14R1.422 NC(=O)OCCSCc1ccccc1 62a_200011214921_100015291786 [1,0,0,0,0,1|1,0,0]=3 3248 B14R1.422 NC(=O)OCCSCc1ccccn1 62a_100000721315_200011214921 [1,0,0,0,0,1|2,0,0]=4 3249 B14R1.422 NC(=O)OCCSCc1ccccn1 62a_200011214921_100000721315 [1,0,0,0,0,1|2,0,0]=4 3250 B14R1.422 NC(=O)OCCSCc1cccnc1 62a_100000741622_200011214921 [1,0,0,0,0,1|2,0,0]=4 3251 B14R1.422 NC(=O)OCCSCc1cccnc1 62a_200011214921_100000741622 [1,0,0,0,0,1|2,0,0]=4 3252 B14R1.422 NC(=O)OCCSCc1ccncc1 62a_100015193705_200011214921 [1,0,0,0,0,1|2,0,0]=4 3253 B14R1.422 NC(=O)OCCSCc1ccncc1 62a_200011214921_100015193705 [1,0,0,0,0,1|2,0,0]=4 3254 B14R1.422 O=C(O)CNC/C=C/c1ccccc1 269956a_100016091260_100016265936 [1,0,0,0,0,1|1,0,1]=4 3255 B14R1.422 O=C(O)CNCC#Cc1ccccc1 269956a_100016091260_100011352542 [1,0,0,0,0,1|1,0,1]=4 3256 B14R1.422 O=C(O)CNCCCc1ccccc1 269956a_100016091260_100000211621 [1,0,0,0,0,1|1,0,0]=3 3257 B14R1.422 O=C(O)CNCCOc1ccccc1 269956a_100016091260_100000184471 [1,0,0,0,0,1|2,0,0]=4 3258 B14R1.422 O=C(O)CNCCSc1ccccc1 269956a_100016091260_100000246102 [1,0,0,0,0,1|2,0,0]=4 3259 B14R1.422 O=C(O)CNCOCc1ccccc1 269956a_100016091260_100000763385 [1,0,0,0,0,1|0,1,0]=3 3260 B14R1.422 O=C(O)CNCSCc1ccccc1 269956a_100016091260_200011217039 [1,0,0,0,0,1|0,0,0]=2 3261 B14R1.422 O=C(O)CONCCc1ccccc1 269956a_100000106656_100000765856 [1,0,0,0,0,1|2,0,0]=4 3262 B14R1.422 O=C(O)CONCSc1ccccc1 269956a_100000106656_100011218342 [1,0,0,0,0,1|2,0,0]=4 3263 B14R1.422 O=C([O-])CNCCCc1ccccc1 34a_100000211184_100020667443 [1,0,0,0,0,1|1,0,1]=4 3264 B14R1.422 O=C([O-])COCCCc1ccccc1 34a_100000210828_100020667443 [1,0,0,0,0,1|1,0,1]=4 3265 B14R1.422 O=C([O-])CSCCCc1ccccc1 62a_100000211621_100020667443 [1,0,0,0,0,1|1,0,1]=4 3266 B14R1.422 O=C([O-])CSCCCc1ccccc1 62a_100020667443_100000211621 [1,0,0,0,0,1|1,0,1]=4 3267 B14R1.422 O=C([O-])CSCOCc1ccccc1 62a_100000763385_100020667443 [1,0,0,0,0,1|0,1,1]=4 3268 B14R1.422 O=C([O-])CSCOCc1ccccc1 62a_100020667443_100000763385 [1,0,0,0,0,1|0,1,1]=4 3269 B14R1.422 O=C([O-])CSCSCc1ccccc1 62a_100020667443_200011217039 [1,0,0,0,0,1|0,0,1]=3 3270 B14R1.422 O=C([O-])CSCSCc1ccccc1 62a_200011217039_100020667443 [1,0,0,0,0,1|0,0,1]=3 3271 B14R1.422 O=[N+]([O-])CSCSCc1ccccc1 62a_200011217039_100000761209 [1,0,0,0,0,1|1,0,1]=4 3272 B14R1.422 [13CH3]C(=O)CCCCCc1ccccc1 1458a_100011216832_200025704644 [1,0,0,0,0,1|2,0,0]=4 3273 B14R1.422 [13CH3]C(=O)CCCCOc1ccccc1 1458a_200011216290_200025704644 [1,0,0,0,0,1|2,0,0]=4 3274 B14R1.422 [13CH3]C(=O)CCCOCc1ccccc1 1458a_100000748059_200025704644 [1,0,0,0,0,1|1,1,0]=4 3275 B16R1.4131 CC(=O)C(C)COCSCc1ccccc1 34a_100000032740_200011217039 [0,0,0,0,0,2|2,0,0]=4 3276 B16R1.4131 CC(=O)C(C)NCCSCc1ccccc1 2230a_100000189534_100009814033 [0,0,0,0,0,2|2,0,0]=4 3277 B16R1.4131 CC(=O)C(C)NCCSCc1ccccc1 7a_100000189534_100000179758 [0,0,0,0,0,2|2,0,0]=4 3278 B16R1.4131 CC(=O)C(C)OCCSCc1ccccc1 34a_100000212229_200011297719 [0,0,0,0,0,2|2,0,0]=4 3279 B16R1.4131 CC(=O)C(C)OCCSCc1ccccc1 7a_100011205989_100000179758 [0,0,0,0,0,2|2,0,0]=4 3280 B16R1.4131 CC(=O)C(C)SCCSCc1ccccc1 62a_100009814033_200011297719 [0,0,0,0,0,2|2,0,0]=4 3281 B16R1.4131 CC(=O)C(C)SCCSCc1ccccc1 62a_200011297719_100009814033 [0,0,0,0,0,2|2,0,0]=4 3282 B16R1.4131 CC(CNC/C=C/c1ccccc1)C(=O)O 269956a_100000749485_100016265936 [0,0,0,0,0,2|2,0,0]=4 3283 B16R1.4131 CC(CNCC#Cc1ccccc1)C(=O)O 269956a_100000749485_100011352542 [0,0,0,0,0,2|2,0,0]=4 3284 B16R1.4131 CC(CNCCCc1ccccc1)C(=O)O 269956a_100000749485_100000211621 [0,0,0,0,0,2|2,0,0]=4 3285 B16R1.4131 CC(CNCCOc1ccccc1)C(=O)O 269956a_100000749485_100000184471 [0,0,0,0,0,2|2,0,0]=4 3286 B16R1.4131 CC(CNCCSc1ccccc1)C(=O)O 269956a_100000749485_100000246102 [0,0,0,0,0,2|2,0,0]=4 3287 B16R1.4131 CC(CNCOCc1ccccc1)C(=O)O 269956a_100000749485_100000763385 [0,0,0,0,0,2|1,1,0]=4 3288 B16R1.4131 CC(CNCSCc1ccccc1)C(=O)O 269956a_100000749485_200011217039 [0,0,0,0,0,2|1,0,0]=3 3289 B16R1.4131 CC(NCCSCc1ccccc1)C(=O)N 2230a_100000189534_100000702099 [0,0,0,0,0,2|2,0,0]=4 3290 B16R1.4131 CC(NCCSCc1ccccc1)C(=O)N 34a_100000189534_100000702099 [0,0,0,0,0,2|2,0,0]=4 3291 B16R1.4131 CC(NCCSCc1ccccc1)C(=O)N 7a_100000189534_100000702099 [0,0,0,0,0,2|2,0,0]=4 3292 B16R1.4131 CC(OCCSCc1ccccc1)C(=O)N 34a_100011205989_100000702099 [0,0,0,0,0,2|2,0,0]=4 3293 B16R1.4131 CC(OCCSCc1ccccc1)C(=O)N 7a_100011205989_100000702099 [0,0,0,0,0,2|2,0,0]=4 3294 B16R1.4131 CC(SCCSCc1ccccc1)C(=O)N 62a_100000702099_200011297719 [0,0,0,0,0,2|2,0,0]=4 3295 B16R1.4131 CC(SCCSCc1ccccc1)C(=O)N 62a_200011297719_100000702099 [0,0,0,0,0,2|2,0,0]=4 3296 B16R1.4131 C[C@@H](NCCSCc1ccccc1)C(=O)N 2230a_100000119354_200011297719 [0,0,0,0,0,2|2,0,0]=4 3297 B16R1.4131 C[C@@H](NCCSCc1ccccc1)C(=O)N 34a_100000119354_200011297719 [0,0,0,0,0,2|2,0,0]=4 3298 B16R1.4131 C[C@@H](OCCSCc1ccccc1)C(=O)N 34a_100000731257_200011297719 [0,0,0,0,0,2|2,0,0]=4 3299 B16R1.4131 C[C@H](NCCCCc1ccccc1)C(=O)O 269956a_100000743915_100000701786 [0,0,0,0,0,2|2,0,0]=4 3300 B16R1.4131 C[C@H](NCCCOc1ccccc1)C(=O)O 269956a_100000743915_100000199009 [0,0,0,0,0,2|2,0,0]=4 3301 B16R1.4131 C[C@H](NCCCSc1ccccc1)C(=O)O 269956a_100000743915_200011203293 [0,0,0,0,0,2|2,0,0]=4 3302 B16R1.4131 C[C@H](NCCOCc1ccccc1)C(=O)O 269956a_100000743915_100000234347 [0,0,0,0,0,2|1,1,0]=4 3303 B16R1.4131 C[C@H](NCCSCc1ccccc1)C(=O)O 269956a_100000743915_200011297719 [0,0,0,0,0,2|1,0,0]=3 3304 B16R1.4131 NC(=O)C(F)NCCSCc1ccccc1 2230a_100000189534_100009813875 [0,0,0,0,0,2|2,0,0]=4 3305 B16R1.4131 NC(=O)C(F)NCCSCc1ccccc1 34a_100000189534_100009813875 [0,0,0,0,0,2|2,0,0]=4 3306 B16R1.4131 NC(=O)C(F)NCCSCc1ccccc1 7a_100000189534_100009813875 [0,0,0,0,0,2|2,0,0]=4 3307 B16R1.4131 NC(=O)C(F)OCCSCc1ccccc1 34a_100011205989_100009813875 [0,0,0,0,0,2|2,0,0]=4 3308 B16R1.4131 NC(=O)C(F)OCCSCc1ccccc1 7a_100011205989_100009813875 [0,0,0,0,0,2|2,0,0]=4 3309 B16R1.4131 NC(=O)C(F)SCCSCc1ccccc1 62a_100009813875_200011297719 [0,0,0,0,0,2|2,0,0]=4 3310 B16R1.4131 NC(=O)C(F)SCCSCc1ccccc1 62a_200011297719_100009813875 [0,0,0,0,0,2|2,0,0]=4 3311 B16R1.4131 NC(=O)[C@@H](N)COC/C=C/c1ccccc1 34a_100000729942_100016265936 [0,0,0,0,0,2|1,1,0]=4 3312 B16R1.4131 NC(=O)[C@@H](N)COCC#Cc1ccccc1 34a_100000729942_100011352542 [0,0,0,0,0,2|1,1,0]=4 3313 B16R1.4131 NC(=O)[C@@H](N)COCCCc1ccccc1 34a_100000729942_100000211621 [0,0,0,0,0,2|1,1,0]=4 3314 B16R1.4131 NC(=O)[C@@H](N)COCCOc1ccccc1 34a_100000729942_100000184471 [0,0,0,0,0,2|1,1,0]=4 3315 B16R1.4131 NC(=O)[C@@H](N)COCCSc1ccccc1 34a_100000729942_100000246102 [0,0,0,0,0,2|1,1,0]=4 3316 B16R1.4131 NC(=O)[C@@H](N)COCOCc1ccccc1 34a_100000729942_100000763385 [0,0,0,0,0,2|1,1,0]=4 3317 B16R1.4131 NC(=O)[C@@H](N)COCSCc1ccccc1 34a_100000729942_200011217039 [0,0,0,0,0,2|1,0,0]=3 3318 B16R1.4131 O=C(O)C(F)CNC/C=C/c1ccccc1 269956a_100000084737_100016265936 [0,0,0,0,0,2|2,0,0]=4 3319 B16R1.4131 O=C(O)C(F)CNCC#Cc1ccccc1 269956a_100000084737_100011352542 [0,0,0,0,0,2|2,0,0]=4 3320 B16R1.4131 O=C(O)C(F)CNCCCc1ccccc1 269956a_100000084737_100000211621 [0,0,0,0,0,2|2,0,0]=4 3321 B16R1.4131 O=C(O)C(F)CNCCOc1ccccc1 269956a_100000084737_100000184471 [0,0,0,0,0,2|2,0,0]=4 3322 B16R1.4131 O=C(O)C(F)CNCCSc1ccccc1 269956a_100000084737_100000246102 [0,0,0,0,0,2|2,0,0]=4 3323 B16R1.4131 O=C(O)C(F)CNCOCc1ccccc1 269956a_100000084737_100000763385 [0,0,0,0,0,2|1,1,0]=4 3324 B16R1.4131 O=C(O)C(F)CNCSCc1ccccc1 269956a_100000084737_200011217039 [0,0,0,0,0,2|1,0,0]=3 3325 B16R1.4131 O=C([O-])C(F)NCCSCc1ccccc1 34a_100000189534_100020610796 [0,0,0,0,0,2|1,0,1]=4 3326 B16R1.4131 O=C([O-])C(F)OCCSCc1ccccc1 34a_100011205989_100020610796 [0,0,0,0,0,2|1,0,1]=4 3327 B16R1.4131 O=C([O-])C(F)SCCSCc1ccccc1 62a_100020610796_200011297719 [0,0,0,0,0,2|1,0,1]=4 3328 B16R1.4131 O=C([O-])C(F)SCCSCc1ccccc1 62a_200011297719_100020610796 [0,0,0,0,0,2|1,0,1]=4 3329 B16R1.6929 CC(=O)OC(C)SCSCc1ccccc1 62a_100009818208_200011217039 [0,0,0,0,0,2|2,0,0]=4 3330 B16R1.6929 CC(=O)OC(C)SCSCc1ccccc1 62a_200011217039_100009818208 [0,0,0,0,0,2|2,0,0]=4 3331 B16R1.6929 CN(CCSCc1ccccc1)CC(=O)O 269956a_100000746989_200011297719 [0,0,0,0,0,2|2,0,0]=4 3332 B16R1.6929 O=C(O)CC(O)CNCCc1ccccc1 269956a_100011218706_100000765856 [0,0,0,0,0,2|2,0,0]=4 3333 B16R1.6929 O=C(O)CC(O)CNCSc1ccccc1 269956a_100011218706_100011218342 [0,0,0,0,0,2|2,0,0]=4 3334 B16R1.18213 CC(=O)OCC(O)CSCc1ccccc1 62a_100000211182_200000139349 [0,0,0,0,0,2|2,0,0]=4 3335 B16R1.18213 CC(=O)OCC(O)CSCc1ccccc1 62a_200000139349_100015291786 [0,0,0,0,0,2|2,0,0]=4 3336 B16R1.18213 CC(=O)SCC(C)CSCc1ccccc1 62a_100000211182_200000116872 [0,0,0,0,0,2|2,0,0]=4 3337 B16R1.18213 CC(=O)SCC(C)CSCc1ccccc1 62a_200000116872_100015291786 [0,0,0,0,0,2|2,0,0]=4 3338 B16R1.18213 CC(CCCc1ccccc1)NCC(=O)O 269956a_100016091260_200010759516 [0,0,0,0,0,2|2,0,0]=4