0 B16R2.15551 CC(=O)CCc1c[nH]c2c1cc(cc2)Br 1458a_100009828173_200000210301 [1,0,0,0,0,0|2,0,0]=3 1 B16R2.15551 [13CH3]C(=O)CCc1c[nH]c2c1cc(cc2)Br 1458a_100009828173_200025704644 [1,0,0,0,0,0|2,0,0]=3 2 B18R2.345422 C[C@H](NCc1csc2c1cc(cc2)Cl)C(=O)O 269956a_100000743915_100009814428 [0,0,0,0,0,1|3,0,0]=4 3 B18R2.345422 C[C@H](NCc1csc2c1cc(cc2)F)C(=O)O 269956a_100000743915_100010109839 [0,0,0,0,0,1|3,0,0]=4 4 B18R2.345438 NC(=O)CC(=O)Cc1c[nH]c2c1cc(cc2)O 1458a_100000031536_100000187820 [0,0,0,0,0,1|2,0,1]=4 5 B18R2.345438 O=C([O-])CC(=O)Cc1c[nH]c2c1cc(cc2)O 1458a_100000031536_100020667443 [0,0,0,0,0,1|1,0,2]=4 6 B15R2.6 CC(=O)CCc1c[nH]c2c1cccc2 1458a_100000070787_100011218569 [2,0,0,0,0,0|1,0,0]=3 7 B15R2.6 CC(=O)CCc1c[nH]c2c1cccc2 1458a_100000211458_200000210301 [2,0,0,0,0,0|1,0,0]=3 8 B15R2.6 CC(=O)CCc1c[nH]c2c1cccn2 1458a_100000070787_100009895007 [2,0,0,0,0,0|2,0,0]=4 9 B15R2.6 CC(=O)CCc1c[nH]c2c1cccn2 1458a_100102525369_200000210301 [2,0,0,0,0,0|2,0,0]=4 10 B15R2.6 CC(=O)NCc1c[nH]c2c1cccc2 240690a_100015202335_100015343762 [2,0,0,0,0,0|2,0,0]=4 11 B15R2.6 CC(=O)NCc1c[nH]c2c1cccc2 527a_100015202335_100103153847 [2,0,0,0,0,0|2,0,0]=4 12 B15R2.6 [13CH3]C(=O)CCc1c[nH]c2c1cccc2 1458a_100000211458_200025704644 [2,0,0,0,0,0|1,0,0]=3 13 B15R2.6 [13CH3]C(=O)CCc1c[nH]c2c1cccn2 1458a_100102525369_200025704644 [2,0,0,0,0,0|2,0,0]=4 14 B15R2.17719 OCCCc1c[nH]c2c1cc(cc2)O 271570a_203496583355_100102583652 [2,0,0,0,0,0|0,0,1]=3 15 B15R2.9410 CC(=O)Cc1c[nH]c2c1cc(cc2)O 1458a_100000031536_200000210301 [2,0,0,0,0,0|1,0,1]=4 16 B15R2.9410 NC(=O)Cc1c[nH]c2c1cc(cc2)O 271570a_203496583355_100009990690 [2,0,0,0,0,0|0,0,1]=3 17 B15R2.9410 [13CH3]C(=O)Cc1c[nH]c2c1cc(cc2)O 1458a_100000031536_200025704644 [2,0,0,0,0,0|1,0,1]=4 18 B17R2.289 CN[C@@H](Cc1c[nH]c2c1cccc2)C(=O)N 2230a_100015190000_200000210301 [1,1,0,0,0,0|1,0,0]=3 19 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 20 B17R2.73242 COc1ccc2[nH]cc(c2c1)CCC(=O)C 1458a_100010000191_200000210301 [1,1,0,0,0,0|1,0,0]=3 21 B17R2.73242 COc1ccc2[nH]cc(c2c1)CCC(=O)[13CH3] 1458a_100010000191_200025704644 [1,1,0,0,0,0|1,0,0]=3 22 B17R2.73242 COc1ccc2[nH]cc(c2c1)CNC(=O)C 11a_100000084035_100015343762 [1,1,0,0,0,0|2,0,0]=4 23 B17R2.73242 COc1ccc2[nH]cc(c2c1)CNC(=O)C 240690a_100000084035_100015343762 [1,1,0,0,0,0|2,0,0]=4 24 B17R2.73242 COc1ccc2[nH]cc(c2c1)CNC(=O)C 527a_100000084035_100103153847 [1,1,0,0,0,0|2,0,0]=4 25 B17R2.376007 CCC(=O)CCc1c[nH]c2c1cc(cc2)Br 1458a_100009828173_100000210202 [1,1,0,0,0,0|2,0,0]=4 26 B17R2.376007 CNC(=O)CCc1c[nH]c2c1cc(cc2)Br 11a_106832991635_100009828173 [1,1,0,0,0,0|2,0,0]=4 27 B17R2.376007 CNC(=O)CCc1c[nH]c2c1cc(cc2)Br 240690a_100102657272_100009828173 [1,1,0,0,0,0|2,0,0]=4 28 B17R2.376007 CNC(=O)CCc1c[nH]c2c1cc(cc2)Br 527a_100102657272_100009828173 [1,1,0,0,0,0|2,0,0]=4 29 B17R2.376007 COC(=O)CCc1c[nH]c2c1cc(cc2)O 271570a_203496583355_100010888593 [1,1,0,0,0,0|0,0,0]=2 30 B17R2.376007 O=C(CF)CCc1c[nH]c2c1cc(cc2)Br 1458a_100009828173_100015361967 [1,1,0,0,0,0|2,0,0]=4 31 B19R2.614602 CC(=O)C(C)C(=O)Cc1c[nH]c2c1cc(cc2)O 1458a_100000031536_100000179758 [0,1,0,0,0,1|2,0,0]=4 32 B19R2.614602 CC(C(=O)N)C(=O)Cc1c[nH]c2c1cc(cc2)O 1458a_100000031536_100000702099 [0,1,0,0,0,1|2,0,0]=4 33 B19R2.614602 NC(=O)C(F)C(=O)Cc1c[nH]c2c1cc(cc2)O 1458a_100000031536_100009813875 [0,1,0,0,0,1|2,0,0]=4 34 B19R2.614602 O=C([O-])C(F)C(=O)Cc1c[nH]c2c1cc(cc2)O 1458a_100000031536_100020610796 [0,1,0,0,0,1|1,0,1]=4 35 B19R2.1645486 COc1ccc2[nH]cc(c2c1)CN[C@H](C)C(=O)N 270004a_100000119354_100000748866 [0,1,0,0,0,1|2,0,0]=4 36 B19R2.1140324 COC(=O)CC(=O)Cc1c[nH]c2c1cc(cc2)O 1458a_100000031536_100000747449 [0,1,0,0,0,1|1,0,1]=4 37 B17R2.16 C[C@H](NCc1csc2c1cccc2)C(=O)O 269956a_100000743915_200000742921 [1,0,0,0,0,1|2,0,0]=4 38 B17R2.25462 CC(=O)CCCc1c[nH]c2c1cc(cc2)F 1458a_100000067597_200000210301 [1,0,0,0,0,1|2,0,0]=4 39 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)Br 240690a_100016990496_100015343762 [1,0,0,0,0,1|2,0,0]=4 40 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)Br 527a_100016990496_100103153847 [1,0,0,0,0,1|2,0,0]=4 41 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)C 11a_100000008874_100015343762 [1,0,0,0,0,1|2,0,0]=4 42 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)C 240690a_100000008874_100015343762 [1,0,0,0,0,1|2,0,0]=4 43 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)C 527a_100000008874_100103153847 [1,0,0,0,0,1|2,0,0]=4 44 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)Cl 11a_100000763428_100015343762 [1,0,0,0,0,1|2,0,0]=4 45 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)Cl 240690a_100000763428_100015343762 [1,0,0,0,0,1|2,0,0]=4 46 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)Cl 527a_100000763428_100103153847 [1,0,0,0,0,1|2,0,0]=4 47 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)F 11a_100000725365_100015343762 [1,0,0,0,0,1|2,0,0]=4 48 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)F 240690a_100000725365_100015343762 [1,0,0,0,0,1|2,0,0]=4 49 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)F 527a_100000725365_100103153847 [1,0,0,0,0,1|2,0,0]=4 50 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)O 240690a_100000009091_100015343762 [1,0,0,0,0,1|1,0,0]=3 51 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)O 527a_100000009091_100103153847 [1,0,0,0,0,1|1,0,0]=3 52 B17R2.25462 O=C(O)CNCc1csc2c1cc(cc2)Cl 269956a_100016091260_100009814428 [1,0,0,0,0,1|2,0,0]=4 53 B17R2.25462 O=C(O)CNCc1csc2c1cc(cc2)F 269956a_100016091260_100010109839 [1,0,0,0,0,1|2,0,0]=4 54 B17R2.25462 [13CH3]C(=O)CCCc1c[nH]c2c1cc(cc2)F 1458a_100000067597_200025704644 [1,0,0,0,0,1|2,0,0]=4