0 B17R2.25461 CC(=O)C(C)Sc1c[nH]c2c1cc(cn2)F 62a_100009814033_100010168383 [0,0,0,0,0,0|4,0,0]=4 1 B17R2.25461 CC(=O)C(C)Sc1n[nH]c2c1cc(cc2)F 62a_100009814033_100011934747 [0,0,0,0,0,0|4,0,0]=4 2 B17R2.25461 CC(Sc1c[nH]c2c1cc(cn2)F)C(=O)N 62a_100000702099_100010168383 [0,0,0,0,0,0|4,0,0]=4 3 B17R2.25461 CC(Sc1n[nH]c2c1cc(cc2)F)C(=O)N 62a_100000702099_100011934747 [0,0,0,0,0,0|4,0,0]=4 4 B17R2.25461 NC(=O)C(F)Sc1c[nH]c2c1cc(cn2)F 62a_100009813875_100010168383 [0,0,0,0,0,0|4,0,0]=4 5 B17R2.25461 NC(=O)C(F)Sc1n[nH]c2c1cc(cc2)F 62a_100009813875_100011934747 [0,0,0,0,0,0|4,0,0]=4 6 B17R2.25461 O=C([O-])C(F)Sc1c[nH]c2c1cc(cn2)F 62a_100020610796_100010168383 [0,0,0,0,0,0|3,0,1]=4 7 B17R2.25461 O=C([O-])C(F)Sc1n[nH]c2c1cc(cc2)F 62a_100020610796_100011934747 [0,0,0,0,0,0|3,0,1]=4 8 B16R2.15551 CC(=O)CCc1c[nH]c2c1cc(cc2)Br 1458a_100009828173_200000210301 [1,0,0,0,0,0|1,1,0]=3 9 B16R2.15551 NC(=O)CSc1c[nH]c2c1cc(cn2)F 62a_100000747473_100010168383 [1,0,0,0,0,0|3,0,0]=4 10 B16R2.15551 NC(=O)CSc1n[nH]c2c1cc(cc2)F 62a_100000747473_100011934747 [1,0,0,0,0,0|3,0,0]=4 11 B16R2.15551 O=C([O-])CSc1c[nH]c2c1cc(cn2)F 62a_100020667443_100010168383 [1,0,0,0,0,0|2,0,1]=4 12 B16R2.15551 O=C([O-])CSc1n[nH]c2c1cc(cc2)F 62a_100020667443_100011934747 [1,0,0,0,0,0|2,0,1]=4 13 B16R2.15551 [13CH3]C(=O)CCc1c[nH]c2c1cc(cc2)Br 1458a_100009828173_200025704644 [1,0,0,0,0,0|1,1,0]=3 14 B18R2.910661 COC(=O)C(C)Sc1c[nH]c2c1cc(cn2)F 62a_100000211248_100010168383 [0,1,0,0,0,0|3,0,0]=4 15 B18R2.910661 COC(=O)C(C)Sc1n[nH]c2c1cc(cc2)F 62a_100000211248_100011934747 [0,1,0,0,0,0|3,0,0]=4 16 B18R2.345422 CC(=O)C(C)OCc1csc2c1cc(cc2)F 34a_100000212229_100010109839 [0,0,0,0,0,1|3,0,0]=4 17 B18R2.345422 CC(=O)C(C)SCc1csc2c1cc(cc2)F 62a_100009814033_100010109839 [0,0,0,0,0,1|3,0,0]=4 18 B18R2.345422 CC(=O)C(C)SCc1csc2c1cc(cc2)F 62a_100010109839_100009814033 [0,0,0,0,0,1|3,0,0]=4 19 B18R2.345422 CC(SCc1csc2c1cc(cc2)F)C(=O)N 62a_100000702099_100010109839 [0,0,0,0,0,1|3,0,0]=4 20 B18R2.345422 CC(SCc1csc2c1cc(cc2)F)C(=O)N 62a_100010109839_100000702099 [0,0,0,0,0,1|3,0,0]=4 21 B18R2.345422 C[C@@H](NCc1csc2c1cc(cc2)F)C(=O)N 2230a_100000119354_100010109839 [0,0,0,0,0,1|3,0,0]=4 22 B18R2.345422 C[C@@H](NCc1csc2c1cc(cc2)F)C(=O)N 34a_100000119354_100010109839 [0,0,0,0,0,1|3,0,0]=4 23 B18R2.345422 C[C@@H](NCc1n[nH]c2c1cc(cc2)F)C(=O)N 270004a_100000119354_100000084349 [0,0,0,0,0,1|3,0,0]=4 24 B18R2.345422 C[C@@H](OCc1csc2c1cc(cc2)F)C(=O)N 34a_100000731257_100010109839 [0,0,0,0,0,1|3,0,0]=4 25 B18R2.345422 C[C@@H](OCc1csc2c1cc(cc2)F)C(=O)N 7a_100000731257_100010109839 [0,0,0,0,0,1|3,0,0]=4 26 B18R2.345422 C[C@H](NCc1csc2c1cc(cc2)Cl)C(=O)O 269956a_100000743915_100009814428 [0,0,0,0,0,1|2,1,0]=4 27 B18R2.345422 C[C@H](NCc1csc2c1cc(cc2)F)C(=O)O 269956a_100000743915_100010109839 [0,0,0,0,0,1|2,0,0]=3 28 B18R2.345422 C[C@H](OCc1csc2c1cc(cc2)F)C(=O)[O-] 7a_217856618621_100010109839 [0,0,0,0,0,1|2,0,1]=4 29 B18R2.345422 NC(=O)C(F)SCc1csc2c1cc(cc2)F 62a_100009813875_100010109839 [0,0,0,0,0,1|3,0,0]=4 30 B18R2.345422 NC(=O)C(F)SCc1csc2c1cc(cc2)F 62a_100010109839_100009813875 [0,0,0,0,0,1|3,0,0]=4 31 B18R2.345422 O=C([O-])C(F)SCc1csc2c1cc(cc2)F 62a_100010109839_100020610796 [0,0,0,0,0,1|2,0,1]=4 32 B18R2.345422 O=C([O-])C(F)SCc1csc2c1cc(cc2)F 62a_100020610796_100010109839 [0,0,0,0,0,1|2,0,1]=4 33 B18R2.345438 CN(CC(=O)O)Cc1csc2c1cc(cc2)F 269956a_100000746989_100010109839 [0,0,0,0,0,1|3,0,0]=4 34 B18R2.345438 NC(=O)CC(=O)Cc1c[nH]c2c1cc(cc2)F 1458a_100102525430_100000187820 [0,0,0,0,0,1|2,0,1]=4 35 B18R2.345438 O=C([O-])CC(=O)Cc1c[nH]c2c1cc(cc2)F 1458a_100102525430_100020667443 [0,0,0,0,0,1|1,0,2]=4 36 B15R2.6 CC(=O)CCc1c[nH]c2c1cccc2 1458a_100000070787_100011218569 [2,0,0,0,0,0|1,0,0]=3 37 B15R2.6 CC(=O)CCc1c[nH]c2c1cccc2 1458a_100000211458_200000210301 [2,0,0,0,0,0|1,0,0]=3 38 B15R2.6 CC(=O)CCc1c[nH]c2c1cccn2 1458a_100000070787_100009895007 [2,0,0,0,0,0|2,0,0]=4 39 B15R2.6 CC(=O)CCc1c[nH]c2c1cccn2 1458a_100102525369_200000210301 [2,0,0,0,0,0|2,0,0]=4 40 B15R2.6 CC(=O)NCc1c[nH]c2c1cccc2 240690a_100015202335_100015343762 [2,0,0,0,0,0|2,0,0]=4 41 B15R2.6 CC(=O)NCc1c[nH]c2c1cccc2 527a_100015202335_100103153847 [2,0,0,0,0,0|2,0,0]=4 42 B15R2.6 [13CH3]C(=O)CCc1c[nH]c2c1cccc2 1458a_100000211458_200025704644 [2,0,0,0,0,0|1,0,0]=3 43 B15R2.6 [13CH3]C(=O)CCc1c[nH]c2c1cccn2 1458a_100102525369_200025704644 [2,0,0,0,0,0|2,0,0]=4 44 B15R2.17719 CNCCc1c[nH]c2c1cc(cc2)F 2230a_100000725365_200000210301 [2,0,0,0,0,0|2,0,0]=4 45 B15R2.17719 COCCc1c[nH]c2c1cc(cc2)F 34a_100012000159_200000210301 [2,0,0,0,0,0|2,0,0]=4 46 B15R2.17719 O=CCSc1c[nH]c2c1cc(cn2)F 62a_200015260668_100010168383 [2,0,0,0,0,0|2,0,0]=4 47 B15R2.17719 O=CCSc1n[nH]c2c1cc(cc2)F 62a_200015260668_100011934747 [2,0,0,0,0,0|2,0,0]=4 48 B15R2.17719 OCCCc1c[nH]c2c1cc(cc2)O 271570a_203496583355_100102583652 [2,0,0,0,0,0|1,0,1]=4 49 B15R2.17719 [13CH3]NCCc1c[nH]c2c1cc(cc2)F 2230a_100000725365_200025704644 [2,0,0,0,0,0|2,0,0]=4 50 B15R2.17719 [13CH3]OCCc1c[nH]c2c1cc(cc2)F 34a_100012000159_200025704644 [2,0,0,0,0,0|2,0,0]=4 51 B15R2.9410 CC(=O)Cc1c[nH]c2c1cc(cc2)F 1458a_100102525430_200000210301 [2,0,0,0,0,0|1,0,1]=4 52 B15R2.9410 NC(=O)Cc1c[nH]c2c1cc(cc2)O 271570a_203496583355_100009990690 [2,0,0,0,0,0|1,0,1]=4 53 B15R2.9410 [13CH3]C(=O)Cc1c[nH]c2c1cc(cc2)F 1458a_100102525430_200025704644 [2,0,0,0,0,0|1,0,1]=4 54 B17R1.1078 CC(CC(=O)C=Cc1ccc(cc1)F)C(=O)O 6a_100000210084_200011218756 [0,1,1,0,0,0|2,0,0]=4 55 B17R2.289 CN[C@@H](Cc1c[nH]c2c1cccc2)C(=O)N 2230a_100015190000_200000210301 [1,1,0,0,0,0|1,0,0]=3 56 B17R2.289 [13CH3]N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)N 2230a_100015190000_200025704644 [1,1,0,0,0,0|1,0,0]=3 57 B17R2.73242 COc1ccc2[nH]cc(c2c1)CCC(=O)C 1458a_100010000191_200000210301 [1,1,0,0,0,0|2,0,0]=4 58 B17R2.73242 COc1ccc2[nH]cc(c2c1)CCC(=O)[13CH3] 1458a_100010000191_200025704644 [1,1,0,0,0,0|2,0,0]=4 59 B17R2.376007 CCC(=O)CCc1c[nH]c2c1cc(cc2)Br 1458a_100009828173_100000210202 [1,1,0,0,0,0|1,1,0]=4 60 B17R2.376007 CNC(=O)CCc1c[nH]c2c1cc(cc2)Br 11a_106832991635_100009828173 [1,1,0,0,0,0|1,1,0]=4 61 B17R2.376007 CNC(=O)CCc1c[nH]c2c1cc(cc2)Br 240690a_100102657272_100009828173 [1,1,0,0,0,0|1,1,0]=4 62 B17R2.376007 CNC(=O)CCc1c[nH]c2c1cc(cc2)Br 527a_100102657272_100009828173 [1,1,0,0,0,0|1,1,0]=4 63 B17R2.376007 COC(=O)CCc1c[nH]c2c1cc(cc2)O 271570a_203496583355_100010888593 [1,1,0,0,0,0|1,0,0]=3 64 B17R2.376007 COC(=O)CSc1c[nH]c2c1cc(cn2)F 62a_100000747449_100010168383 [1,1,0,0,0,0|2,0,0]=4 65 B17R2.376007 COC(=O)CSc1n[nH]c2c1cc(cc2)F 62a_100000747449_100011934747 [1,1,0,0,0,0|2,0,0]=4 66 B17R2.376007 O=C(CF)CCc1c[nH]c2c1cc(cc2)Br 1458a_100009828173_100015361967 [1,1,0,0,0,0|1,1,0]=4 67 B19R2.614602 CC(=O)C(C)C(=O)Cc1c[nH]c2c1cc(cc2)F 1458a_100102525430_100000179758 [0,1,0,0,0,1|2,0,0]=4 68 B19R2.614602 CC(C(=O)N)C(=O)Cc1c[nH]c2c1cc(cc2)F 1458a_100102525430_100000702099 [0,1,0,0,0,1|2,0,0]=4 69 B19R2.614602 CC(C(=O)O)N(C)Cc1csc2c1cc(cc2)F 269956a_100000749554_100010109839 [0,1,0,0,0,1|2,0,0]=4 70 B19R2.614602 NC(=O)C(F)C(=O)Cc1c[nH]c2c1cc(cc2)F 1458a_100102525430_100009813875 [0,1,0,0,0,1|2,0,0]=4 71 B19R2.614602 O=C([O-])C(F)C(=O)Cc1c[nH]c2c1cc(cc2)F 1458a_100102525430_100020610796 [0,1,0,0,0,1|1,0,1]=4 72 B19R2.1726218 COC(=O)C(C)CSc1c[nH]c2c1cc(cn2)F 62a_100000698445_100010168383 [0,1,0,0,0,1|2,0,0]=4 73 B19R2.1726218 COC(=O)C(C)CSc1n[nH]c2c1cc(cc2)F 62a_100000698445_100011934747 [0,1,0,0,0,1|2,0,0]=4 74 B19R2.1726218 COC(=O)C(C)OCc1csc2c1cc(cc2)F 34a_100011215400_100010109839 [0,1,0,0,0,1|2,0,0]=4 75 B19R2.1726218 COC(=O)C(C)SCc1csc2c1cc(cc2)F 62a_100000211248_100010109839 [0,1,0,0,0,1|2,0,0]=4 76 B19R2.1726218 COC(=O)C(C)SCc1csc2c1cc(cc2)F 62a_100010109839_100000211248 [0,1,0,0,0,1|2,0,0]=4 77 B19R2.3021256 C=C[C@H](NCc1csc2c1cc(cc2)F)C(=O)O 269956a_100016992060_100010109839 [0,1,0,0,0,1|2,0,0]=4 78 B19R2.3021256 CC[C@@H](NCc1csc2c1cc(cc2)F)C(=O)O 269956a_100000747097_100010109839 [0,1,0,0,0,1|2,0,0]=4 79 B19R2.3021256 O=C(O)C(CO)NCc1csc2c1cc(cc2)F 269956a_100000187304_100010109839 [0,1,0,0,0,1|2,0,0]=4 80 B19R2.1140324 COC(=O)CC(=O)Cc1c[nH]c2c1cc(cc2)F 1458a_100102525430_100000747449 [0,1,0,0,0,1|1,0,1]=4 81 B17R2.16 C[C@H](NCc1csc2c1cccc2)C(=O)O 269956a_100000743915_200000742921 [1,0,0,0,0,1|2,0,0]=4 82 B17R2.25462 CC(=O)CCCc1c[nH]c2c1cc(cc2)F 1458a_100000067597_200000210301 [1,0,0,0,0,1|1,0,0]=3 83 B17R2.25462 CC(=O)CCSc1c[nH]c2c1cc(cn2)F 62a_100000053229_100010168383 [1,0,0,0,0,1|2,0,0]=4 84 B17R2.25462 CC(=O)CCSc1n[nH]c2c1cc(cc2)F 62a_100000053229_100011934747 [1,0,0,0,0,1|2,0,0]=4 85 B17R2.25462 CC(=O)COCc1csc2c1cc(cc2)F 34a_100000211253_100010109839 [1,0,0,0,0,1|2,0,0]=4 86 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)Br 240690a_100016990496_100015343762 [1,0,0,0,0,1|1,1,0]=4 87 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)Br 527a_100016990496_100103153847 [1,0,0,0,0,1|1,1,0]=4 88 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)C 11a_100000008874_100015343762 [1,0,0,0,0,1|2,0,0]=4 89 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)C 240690a_100000008874_100015343762 [1,0,0,0,0,1|2,0,0]=4 90 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)C 527a_100000008874_100103153847 [1,0,0,0,0,1|2,0,0]=4 91 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)Cl 11a_100000763428_100015343762 [1,0,0,0,0,1|1,1,0]=4 92 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)Cl 240690a_100000763428_100015343762 [1,0,0,0,0,1|1,1,0]=4 93 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)Cl 527a_100000763428_100103153847 [1,0,0,0,0,1|1,1,0]=4 94 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)F 11a_100000725365_100015343762 [1,0,0,0,0,1|1,0,0]=3 95 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)F 240690a_100000725365_100015343762 [1,0,0,0,0,1|1,0,0]=3 96 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)F 527a_100000725365_100103153847 [1,0,0,0,0,1|1,0,0]=3 97 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)O 240690a_100000009091_100015343762 [1,0,0,0,0,1|2,0,0]=4 98 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)O 527a_100000009091_100103153847 [1,0,0,0,0,1|2,0,0]=4 99 B17R2.25462 NC(=O)CCSc1c[nH]c2c1cc(cn2)F 62a_100000744528_100010168383 [1,0,0,0,0,1|2,0,0]=4 100 B17R2.25462 NC(=O)CCSc1n[nH]c2c1cc(cc2)F 62a_100000744528_100011934747 [1,0,0,0,0,1|2,0,0]=4 101 B17R2.25462 NC(=O)CNCc1csc2c1cc(cc2)F 2230a_100000711301_100010109839 [1,0,0,0,0,1|2,0,0]=4 102 B17R2.25462 NC(=O)CSCc1csc2c1cc(cc2)F 62a_100000747473_100010109839 [1,0,0,0,0,1|2,0,0]=4 103 B17R2.25462 NC(=O)CSCc1csc2c1cc(cc2)F 62a_100010109839_100000747473 [1,0,0,0,0,1|2,0,0]=4 104 B17R2.25462 O=C(O)CNCc1csc2c1cc(cc2)Cl 269956a_100016091260_100009814428 [1,0,0,0,0,1|1,1,0]=4 105 B17R2.25462 O=C(O)CNCc1csc2c1cc(cc2)F 269956a_100016091260_100010109839 [1,0,0,0,0,1|1,0,0]=3 106 B17R2.25462 O=C([O-])CSCc1csc2c1cc(cc2)F 62a_100010109839_100020667443 [1,0,0,0,0,1|1,0,1]=4 107 B17R2.25462 O=C([O-])CSCc1csc2c1cc(cc2)F 62a_100020667443_100010109839 [1,0,0,0,0,1|1,0,1]=4 108 B17R2.25462 [13CH3]C(=O)CCCc1c[nH]c2c1cc(cc2)F 1458a_100000067597_200025704644 [1,0,0,0,0,1|1,0,0]=3 109 B19R2.64101 CC(=O)C(C)NCCc1c[nH]c2c1cc(cc2)F 2230a_100000725365_100009814033 [0,0,0,0,0,2|2,0,0]=4 110 B19R2.64101 CC(CNCc1csc2c1cc(cc2)F)C(=O)O 269956a_100000749485_100010109839 [0,0,0,0,0,2|2,0,0]=4 111 B19R2.64101 CC(NCCc1c[nH]c2c1cc(cc2)F)C(=O)N 2230a_100000725365_100000702099 [0,0,0,0,0,2|2,0,0]=4 112 B19R2.64101 CC(OCCc1c[nH]c2c1cc(cc2)F)C(=O)N 34a_100012000159_100000702099 [0,0,0,0,0,2|2,0,0]=4 113 B19R2.64101 NC(=O)C(F)NCCc1c[nH]c2c1cc(cc2)F 2230a_100000725365_100009813875 [0,0,0,0,0,2|2,0,0]=4 114 B19R2.64101 NC(=O)C(F)OCCc1c[nH]c2c1cc(cc2)F 34a_100012000159_100009813875 [0,0,0,0,0,2|2,0,0]=4 115 B19R2.64101 NC(=O)[C@@H](N)COCc1csc2c1cc(cc2)F 34a_100000729942_100010109839 [0,0,0,0,0,2|2,0,0]=4 116 B19R2.64101 O=C(O)C(F)CNCc1csc2c1cc(cc2)F 269956a_100000084737_100010109839 [0,0,0,0,0,2|2,0,0]=4 117 B19R2.64101 O=C([O-])C(F)OCCc1c[nH]c2c1cc(cc2)F 34a_100012000159_100020610796 [0,0,0,0,0,2|1,0,1]=4