0 B15R1.3565 CC(=O)NC(=Cc1ccccc1)C(=O)C 1458a_100000211484_200000210301 [0,0,0,0,0,0|2,0,2]=4 1 B15R1.3565 CC(=O)NC(=Cc1ccccc1)C(=O)[13CH3] 1458a_100000211484_200025704644 [0,0,0,0,0,0|2,0,2]=4 2 B15R1.3565 CC(=O)NC(Cc1ccccc1)C(=O)N 11a_100000745710_100015343762 [0,0,0,0,0,0|2,0,0]=2 3 B15R1.3565 CC(=O)NC(Cc1ccccc1)C(=O)N 1626a_100000745710_100015343762 [0,0,0,0,0,0|2,0,0]=2 4 B15R1.3565 CC(=O)NC(Cc1ccccc1)C(=O)N 240690a_100000745710_100015343762 [0,0,0,0,0,0|2,0,0]=2 5 B15R1.3565 CC(=O)NC(Cc1ccccc1)C(=O)N 527a_100000745710_100103153847 [0,0,0,0,0,0|2,0,0]=2 6 B15R1.3565 CC(=O)N[C@@H](Cc1ccccc1)C(=O)C 1458a_100011416797_200000210301 [0,0,0,0,0,0|2,0,0]=2 7 B15R1.3565 CC(=O)N[C@@H](Cc1ccccc1)C(=O)[13CH3] 1458a_100011416797_200025704644 [0,0,0,0,0,0|2,0,0]=2 8 B15R1.3565 CC(=O)O[C@@H](Cc1ccccc1)C(=O)C 1458a_200015294773_200000210301 [0,0,0,0,0,0|3,0,0]=3 9 B15R1.3565 CC(=O)O[C@@H](Cc1ccccc1)C(=O)[13CH3] 1458a_200015294773_200025704644 [0,0,0,0,0,0|3,0,0]=3 10 B15R1.3565 CC(C)NC(Cc1ccccc1)C(=O)N 2230a_100000745710_100000210206 [0,0,0,0,0,0|3,0,1]=4 11 B15R1.3565 CC(C)NC(Cc1ccccc1)C(=O)N 34a_100000745710_100000210206 [0,0,0,0,0,0|3,0,1]=4 12 B14R1.549 CC(=O)NC(C#N)Cc1ccccc1 11a_100000746547_100015343762 [1,0,0,0,0,0|2,0,1]=4 13 B14R1.549 CC(=O)NC(C#N)Cc1ccccc1 1626a_100000746547_100015343762 [1,0,0,0,0,0|2,0,1]=4 14 B14R1.549 CC(=O)NC(C#N)Cc1ccccc1 240690a_100000746547_100015343762 [1,0,0,0,0,0|2,0,1]=4 15 B14R1.549 CC(=O)NC(C#N)Cc1ccccc1 527a_100000746547_100103153847 [1,0,0,0,0,0|2,0,1]=4 16 B14R1.549 CC(=O)NC(CO)Cc1ccccc1 240690a_100000739027_100015343762 [1,0,0,0,0,0|1,0,1]=3 17 B14R1.549 CC(=O)NC(CO)Cc1ccccc1 527a_100000739027_100103153847 [1,0,0,0,0,0|1,0,1]=3 18 B14R1.549 CC(=O)NC(CO)Cc1cccnc1 240690a_100000717814_100015343762 [1,0,0,0,0,0|2,0,1]=4 19 B14R1.549 CC(=O)NC(CO)Cc1ccncc1 240690a_100000717866_100015343762 [1,0,0,0,0,0|2,0,1]=4 20 B14R1.549 CC(=O)NC(CO)Cc1ccncc1 527a_100000717866_100103153847 [1,0,0,0,0,0|2,0,1]=4 21 B14R1.980 CCNC(Cc1ccccc1)C(=O)N 2230a_100000745710_100000210202 [1,0,0,0,0,0|2,0,1]=4 22 B14R1.980 CCNC(Cc1ccccc1)C(=O)N 34a_100000745710_100000210202 [1,0,0,0,0,0|2,0,1]=4 23 B14R1.980 NC(=O)C(Cc1ccccc1)NCF 34a_100000745710_100015361967 [1,0,0,0,0,0|2,0,1]=4 24 B16R1.5825 CC(=O)N[C@@H](Cc1ccccc1)C(=O)CF 1458a_100011416797_100015361967 [0,1,0,0,0,0|2,0,0]=3 25 B16R1.5825 CC(=O)O[C@@H](Cc1ccccc1)C(=O)CF 1458a_200015294773_100015361967 [0,1,0,0,0,0|3,0,0]=4 26 B16R1.5825 CCC(=O)[C@H](Cc1ccccc1)NC(=O)C 1458a_100011416797_100000210202 [0,1,0,0,0,0|2,0,0]=3 27 B16R1.5825 CCC(=O)[C@H](Cc1ccccc1)OC(=O)C 1458a_200015294773_100000210202 [0,1,0,0,0,0|3,0,0]=4 28 B16R1.5825 CNC(=O)C(Cc1ccccc1)NC(=O)C 11a_100000719550_100015343762 [0,1,0,0,0,0|2,0,0]=3 29 B16R1.5825 CNC(=O)C(Cc1ccccc1)NC(=O)C 1626a_100000719550_100015343762 [0,1,0,0,0,0|2,0,0]=3 30 B16R1.5825 CNC(=O)C(Cc1ccccc1)NC(=O)C 240690a_100000719550_100015343762 [0,1,0,0,0,0|2,0,0]=3 31 B16R1.5825 CNC(=O)C(Cc1ccccc1)NC(=O)C 527a_100000719550_100103153847 [0,1,0,0,0,0|2,0,0]=3 32 B16R1.5825 CNC(=O)[C@H](Cc1ccccc1)NC(=O)C 11a_106832991635_100011416797 [0,1,0,0,0,0|2,0,0]=3 33 B16R1.5825 CNC(=O)[C@H](Cc1ccccc1)NC(=O)C 1626a_100102657272_100011416797 [0,1,0,0,0,0|2,0,0]=3 34 B16R1.5825 CNC(=O)[C@H](Cc1ccccc1)NC(=O)C 240690a_100102657272_100011416797 [0,1,0,0,0,0|2,0,0]=3 35 B16R1.5825 CNC(=O)[C@H](Cc1ccccc1)NC(=O)C 527a_100102657272_100011416797 [0,1,0,0,0,0|2,0,0]=3 36 B16R1.5825 CNC(=O)[C@H](Cc1ccccc1)OC(=O)C 11a_106832991635_200015294773 [0,1,0,0,0,0|3,0,0]=4 37 B16R1.5825 CNC(=O)[C@H](Cc1ccccc1)OC(=O)C 1626a_100102657272_200015294773 [0,1,0,0,0,0|3,0,0]=4 38 B16R1.5825 CNC(=O)[C@H](Cc1ccccc1)OC(=O)C 240690a_100102657272_200015294773 [0,1,0,0,0,0|3,0,0]=4 39 B16R1.5825 CNC(=O)[C@H](Cc1ccccc1)OC(=O)C 527a_100102657272_200015294773 [0,1,0,0,0,0|3,0,0]=4 40 B16R1.5825 COC(=O)C(Cc1ccccc1)NC(C)C 34a_100138425928_100000764117 [0,1,0,0,0,0|2,0,1]=4 41 B16R1.5825 COC(=O)C(Cc1cccnc1)NC(=O)C 188690a_100121595588_100015343762 [0,1,0,0,0,0|2,0,0]=3 42 B16R1.5825 COC(=O)[C@@H](CC(=O)C)Cc1ccccc1 1458a_100000010559_200000210301 [0,1,0,0,0,0|2,0,0]=3 43 B16R1.5825 COC(=O)[C@@H](CC(=O)[13CH3])Cc1ccccc1 1458a_100000010559_200025704644 [0,1,0,0,0,0|2,0,0]=3 44 B16R1.5825 COC(=O)[C@@H](Cc1ccccn1)NC(=O)C 188690a_100020631003_100015343762 [0,1,0,0,0,0|2,0,0]=3 45 B16R1.5825 COC(=O)[C@H](Cc1ccccc1)NC(=O)C 188690a_100000009509_100015343762 [0,1,0,0,0,0|1,0,0]=2 46 B16R1.6729 C=CC(=O)NC(Cc1ccccc1)C(=O)N 1626a_100000745710_100000185746 [0,1,0,0,0,0|2,0,0]=3 47 B16R1.6729 C=CC(=O)NC(Cc1ccccc1)C(=O)N 240690a_100000745710_200121576911 [0,1,0,0,0,0|2,0,0]=3 48 B16R1.6729 CCC(=O)NC(Cc1ccccc1)C(=O)N 11a_100000745710_100000210414 [0,1,0,0,0,0|2,0,0]=3 49 B16R1.6729 CCC(=O)NC(Cc1ccccc1)C(=O)N 1626a_100000745710_100000210414 [0,1,0,0,0,0|2,0,0]=3 50 B16R1.6729 CCC(=O)NC(Cc1ccccc1)C(=O)N 240690a_100000745710_100000210414 [0,1,0,0,0,0|2,0,0]=3 51 B16R1.6729 CCC(=O)NC(Cc1ccccc1)C(=O)N 527a_100000745710_100000210414 [0,1,0,0,0,0|2,0,0]=3 52 B16R1.6729 CNC(=O)NC(Cc1ccccc1)C(=O)N 2708a_100102657272_100000745710 [0,1,0,0,0,0|1,0,0]=2 53 B16R1.6729 CNC(=O)NC(Cc1ccccc1)C(=O)N 273464a_100000745710_100102657272 [0,1,0,0,0,0|1,0,0]=2 54 B16R1.6729 CNC(=O)NC(Cc1ccccc1)C(=O)N 273464a_100102657272_100000745710 [0,1,0,0,0,0|1,0,0]=2 55 B16R1.6729 CNC(=O)NC(Cc1ccccc1)C(=O)N 512a_106832991638_100000745710 [0,1,0,0,0,0|1,0,0]=2 56 B16R1.6729 COC(=O)N[C@H](Cc1ccccc1)C(=O)C 1458a_100012355454_200000210301 [0,1,0,0,0,0|2,0,0]=3 57 B16R1.6729 COC(=O)N[C@H](Cc1ccccc1)C(=O)[13CH3] 1458a_100012355454_200025704644 [0,1,0,0,0,0|2,0,0]=3 58 B16R1.6729 NC(=O)C(Cc1ccccc1)NC(=O)CO 240690a_100000745710_100000210174 [0,1,0,0,0,0|2,0,0]=3 59 B16R1.6729 NC(=O)C(Cc1ccccc1)NC(=O)CO 527a_100000745710_100000210174 [0,1,0,0,0,0|2,0,0]=3 60 B16R1.6927 CC(=O)C(Cc1ccc(cc1)O)NC(=O)N 1458a_200011194154_200000210301 [0,1,0,0,0,0|1,0,0]=2 61 B16R1.6927 CC(=O)NC(Cc1ccc(cc1)Br)C(=O)C 1458a_200011216485_200000210301 [0,1,0,0,0,0|2,0,0]=3 62 B16R1.6927 CC(=O)NC(Cc1ccc(cc1)Br)C(=O)[13CH3] 1458a_200011216485_200025704644 [0,1,0,0,0,0|2,0,0]=3 63 B16R1.6927 CC(=O)NC(Cc1ccc(cc1)F)C(=O)C 1458a_100011218019_200000210301 [0,1,0,0,0,0|2,0,0]=3 64 B16R1.6927 CC(=O)NC(Cc1ccc(cc1)F)C(=O)[13CH3] 1458a_100011218019_200025704644 [0,1,0,0,0,0|2,0,0]=3 65 B16R1.6927 CC(=O)NC(Cc1ccc(cc1)I)C(=O)C 1458a_200012290977_200000210301 [0,1,0,0,0,0|2,0,0]=3 66 B16R1.6927 CC(=O)NC(Cc1ccc(cc1)I)C(=O)[13CH3] 1458a_200012290977_200025704644 [0,1,0,0,0,0|2,0,0]=3 67 B16R1.6927 CC(=O)N[C@@H](Cc1ccc(cc1)Cl)C(=O)C 1458a_100010199457_200000210301 [0,1,0,0,0,0|2,0,0]=3 68 B16R1.6927 CC(=O)N[C@@H](Cc1ccc(cc1)Cl)C(=O)[13CH3] 1458a_100010199457_200025704644 [0,1,0,0,0,0|2,0,0]=3 69 B16R1.6927 CC(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)C 1458a_100011417693_200000210301 [0,1,0,0,0,0|2,0,0]=3 70 B16R1.6927 CC(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N 240690a_100011423149_100015343762 [0,1,0,0,0,0|2,0,0]=3 71 B16R1.6927 CC(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)[13CH3] 1458a_100011417693_200025704644 [0,1,0,0,0,0|2,0,0]=3 72 B16R1.6927 [13CH3]C(=O)C(Cc1ccc(cc1)O)NC(=O)N 1458a_200011194154_200025704644 [0,1,0,0,0,0|1,0,0]=2 73 B16R1.7303 CC(C)NC(Cc1cccc(c1)Cl)C(=O)O 269956a_100000685206_100000210206 [0,1,0,0,0,0|2,0,1]=4 74 B16R1.7303 CC(C)NC(Cc1cccc(c1)F)C(=O)O 269956a_100102707141_100000210206 [0,1,0,0,0,0|2,0,1]=4 75 B16R1.7594 CS(=O)(=O)NC(Cc1ccccc1)C(=O)N 40a_100000745710_100000738038 [0,1,0,0,0,0|3,0,0]=4 76 B16R1.8814 CC(=O)NC(Cc1ccccc1F)C(=O)C 1458a_200011218568_200000210301 [0,1,0,0,0,0|2,0,0]=3 77 B16R1.8814 CC(=O)NC(Cc1ccccc1F)C(=O)[13CH3] 1458a_200011218568_200025704644 [0,1,0,0,0,0|2,0,0]=3 78 B16R1.8814 CC(C)NC(Cc1ccccc1Cl)C(=O)O 269956a_100020589136_100000210206 [0,1,0,0,0,0|2,0,1]=4 79 B16R1.18045 CC(C)NC(C(=O)O)C(C)c1ccccc1 269956a_100011215410_100000210206 [0,1,0,0,0,0|2,0,1]=4 80 B16R1.81469 CC(C)NC(C)(Cc1ccccc1)C(=O)O 269956a_100025773586_100000210206 [0,1,0,0,0,0|2,0,1]=4 81 B14R1.3164 CC(=O)NC(Cc1cccs1)C(=O)C 1458a_200011218114_200000210301 [0,0,0,0,1,0|3,0,0]=4 82 B14R1.3164 CC(=O)NC(Cc1cccs1)C(=O)[13CH3] 1458a_200011218114_200025704644 [0,0,0,0,1,0|3,0,0]=4 83 B14R1.4513 CC(=O)C(Sc1ccccc1)C(=O)C 62a_100000210371_100000041952 [0,0,0,0,1,0|3,0,0]=4 84 B14R1.4513 CC(=O)C(Sc1ccccc1)C(=O)C 62a_100000719477_100000210371 [0,0,0,0,1,0|3,0,0]=4 85 B14R1.6455 CC(=O)N(CC(=O)N)c1ccccc1 11a_100000212578_100015343762 [0,0,0,0,1,0|3,0,0]=4 86 B14R1.6455 CC(=O)N(CC(=O)N)c1ccccc1 1626a_100000212578_100015343762 [0,0,0,0,1,0|3,0,0]=4 87 B14R1.6455 CC(=O)NC(C(=O)C)c1ccccc1 1458a_100000195599_200000210301 [0,0,0,0,1,0|2,0,0]=3 88 B14R1.6455 CC(=O)NC(C(=O)[13CH3])c1ccccc1 1458a_100000195599_200025704644 [0,0,0,0,1,0|2,0,0]=3 89 B14R1.6455 CC(=O)N[C@@H](C(=O)N)c1ccccc1 11a_100011423151_100015343762 [0,0,0,0,1,0|2,0,0]=3 90 B14R1.6455 CC(=O)N[C@@H](C(=O)N)c1ccccc1 1626a_100011423151_100015343762 [0,0,0,0,1,0|2,0,0]=3 91 B14R1.6455 CC(=O)N[C@@H](C(=O)N)c1ccccc1 240690a_100011423151_100015343762 [0,0,0,0,1,0|2,0,0]=3 92 B14R1.6455 CC(=O)N[C@@H](C(=O)N)c1ccccc1 527a_100011423151_100103153847 [0,0,0,0,1,0|2,0,0]=3 93 B14R1.6455 CC(=O)N[C@@H](c1ccccc1)[C@H](C)O 11a_100134616770_100015343762 [0,0,0,0,1,0|2,0,1]=4 94 B14R1.6455 CC(=O)N[C@@H](c1ccccc1)[C@H](C)O 240690a_100134616770_100015343762 [0,0,0,0,1,0|2,0,1]=4 95 B14R1.6455 CC(=O)N[C@@H](c1ccccc1)[C@H](C)O 527a_100134616770_100103153847 [0,0,0,0,1,0|2,0,1]=4 96 B14R1.6455 CC(=O)O[C@@H](C(=O)C)c1ccccc1 1458a_100016990227_200000210301 [0,0,0,0,1,0|3,0,0]=4 97 B14R1.6455 CC(=O)O[C@@H](C(=O)[13CH3])c1ccccc1 1458a_100016990227_200025704644 [0,0,0,0,1,0|3,0,0]=4 98 B14R1.6455 CC(C)NC(C(=O)O)c1ccccc1 269956a_100000230147_100000210206 [0,0,0,0,1,0|2,0,1]=4 99 B16R1.3939 CC(C)N[C@H](CC(=O)O)Cc1ccccc1 269956a_100000009519_100000210206 [0,0,0,0,0,1|2,0,1]=4 100 B16R1.3939 NC(=O)CN(CC(=O)N)Cc1ccccc1 2230a_100000232323_100015291786 [0,0,0,0,0,1|3,0,0]=4 101 B16R1.3939 NC(=O)CN(CC(=O)O)Cc1ccccc1 269956a_100000745947_100000187820 [0,0,0,0,0,1|2,0,0]=3 102 B16R1.3939 O=C([O-])CN(CC(=O)O)Cc1ccccc1 269956a_100000745947_100020667443 [0,0,0,0,0,1|3,0,0]=4 103 B16R1.12227 CC(=O)NC(CCc1ccccc1)C(=O)C 1458a_200011902799_200000210301 [0,0,0,0,0,1|2,0,0]=3 104 B16R1.12227 CC(=O)NC(CCc1ccccc1)C(=O)[13CH3] 1458a_200011902799_200025704644 [0,0,0,0,0,1|2,0,0]=3 105 B16R1.12227 CC(=O)NC(CSc1ccccc1)C(=O)C 1458a_200011218355_200000210301 [0,0,0,0,0,1|2,0,0]=3 106 B16R1.12227 CC(=O)NC(CSc1ccccc1)C(=O)[13CH3] 1458a_200011218355_200025704644 [0,0,0,0,0,1|2,0,0]=3 107 B16R1.12227 CC(C)NC(CCc1ccccc1)C(=O)O 269956a_100000701298_100000210206 [0,0,0,0,0,1|2,0,1]=4 108 B16R1.12227 CS(=O)C[C@H](NCc1ccccc1)C(=O)O 269956a_100009817418_100015291786 [0,0,0,0,0,1|3,0,0]=4 109 B16R1.12227 NC(=O)C[C@H](NCc1ccccc1)C(=O)N 2230a_100000143228_100015291786 [0,0,0,0,0,1|2,0,0]=3 110 B16R1.12227 NC(=O)C[C@H](NCc1ccccn1)C(=O)N 2230a_100000143228_100000721315 [0,0,0,0,0,1|3,0,0]=4 111 B16R1.12227 NC(=O)C[C@H](NCc1cccnc1)C(=O)N 2230a_100000143228_100000741622 [0,0,0,0,0,1|3,0,0]=4 112 B16R1.12227 NC(=O)C[C@H](NCc1ccncc1)C(=O)N 2230a_100000143228_100015193705 [0,0,0,0,0,1|3,0,0]=4 113 B16R1.12306 C=C(C)CNC(Cc1ccccc1)C(=O)N 2230a_100000745710_100000748629 [0,0,0,0,0,1|3,0,0]=4 114 B16R1.12306 C=C(C)CNC(Cc1ccccc1)C(=O)N 34a_100000745710_100000748629 [0,0,0,0,0,1|3,0,0]=4 115 B16R1.12306 C=C(F)CNC(Cc1ccccc1)C(=O)N 2230a_100000745710_100009893438 [0,0,0,0,0,1|3,0,0]=4 116 B16R1.12306 C=C(F)CNC(Cc1ccccc1)C(=O)N 34a_100000745710_100009893438 [0,0,0,0,0,1|3,0,0]=4 117 B16R1.12306 CC(=O)N(CCC(=O)N)Cc1ccccc1 11a_100000177509_100015343762 [0,0,0,0,0,1|3,0,0]=4 118 B16R1.12306 CC(=O)N(CCC(=O)N)Cc1ccccc1 1626a_100000177509_100015343762 [0,0,0,0,0,1|3,0,0]=4 119 B16R1.12306 CC(=O)N(CCC(=O)N)Cc1ccccc1 240690a_100000177509_100015343762 [0,0,0,0,0,1|3,0,0]=4 120 B16R1.12306 CC(=O)N(CCC(=O)N)Cc1ccccc1 527a_100000177509_100103153847 [0,0,0,0,0,1|3,0,0]=4 121 B16R1.12306 CC(=O)SCC(Cc1ccccc1)C(=O)C 1458a_100000066118_200000210301 [0,0,0,0,0,1|3,0,0]=4 122 B16R1.12306 CC(=O)SCC(Cc1ccccc1)C(=O)[13CH3] 1458a_100000066118_200025704644 [0,0,0,0,0,1|3,0,0]=4 123 B16R1.12306 NC(=O)C(Cc1ccccc1)NCC(=O)[O-] 34a_100000745710_100020667443 [0,0,0,0,0,1|2,0,0]=3 124 B16R1.12306 NC(=O)C(Cc1ccccc1)NC[N+](=O)[O-] 34a_100000745710_100000761209 [0,0,0,0,0,1|3,0,0]=4 125 B16R1.12306 NC(=O)CNC(Cc1ccccc1)C(=O)N 2230a_100000745710_100000747473 [0,0,0,0,0,1|1,0,0]=2 126 B16R1.12306 NC(=O)CNC(Cc1ccccc1)C(=O)N 34a_100000745710_100000187820 [0,0,0,0,0,1|1,0,0]=2 127 B13R1.348 NC(=O)CC(=O)Cc1ccccc1 1458a_100134613110_100015291786 [2,0,0,0,0,0|1,0,1]=4 128 B13R1.418 CNC(Cc1ccccc1)C(=O)N 2230a_100000745710_200000210301 [2,0,0,0,0,0|1,0,1]=4 129 B13R1.418 CNC(Cc1ccccc1)C(=O)N 34a_100000745710_200000210301 [2,0,0,0,0,0|1,0,1]=4 130 B13R1.418 [13CH3]NC(Cc1ccccc1)C(=O)N 2230a_100000745710_200025704644 [2,0,0,0,0,0|1,0,1]=4 131 B13R1.418 [13CH3]NC(Cc1ccccc1)C(=O)N 34a_100000745710_200025704644 [2,0,0,0,0,0|1,0,1]=4 132 B15R1.656 CC(=O)NC(CO)Cc1ccc(cc1)Cl 240690a_100025702442_100015343762 [1,1,0,0,0,0|1,0,1]=4 133 B15R1.656 CC(=O)NC(CO)Cc1ccc(cc1)Cl 527a_100025702442_100103153847 [1,1,0,0,0,0|1,0,1]=4 134 B15R1.656 CC(=O)N[C@@H](CO)Cc1ccc(cc1)O 240690a_100020629837_100015343762 [1,1,0,0,0,0|1,0,1]=4 135 B15R1.656 CC(=O)N[C@@H](CO)Cc1ccc(cc1)O 527a_100020629837_100103153847 [1,1,0,0,0,0|1,0,1]=4 136 B15R1.663 CC(=O)NC(CO)Cc1cccc(c1)Br 240690a_114802770106_100015343762 [1,1,0,0,0,0|1,0,1]=4 137 B15R1.663 CC(=O)NC(CO)Cc1cccc(c1)Br 527a_114802770106_100103153847 [1,1,0,0,0,0|1,0,1]=4 138 B15R1.663 CC(=O)NC(CO)Cc1cccc(c1)C 240690a_100000716799_100015343762 [1,1,0,0,0,0|1,0,1]=4 139 B15R1.663 CC(=O)NC(CO)Cc1cccc(c1)C 527a_100000716799_100103153847 [1,1,0,0,0,0|1,0,1]=4 140 B15R1.663 CC(=O)NC(CO)Cc1cccc(c1)F 240690a_200012000099_100015343762 [1,1,0,0,0,0|1,0,1]=4 141 B15R1.663 CC(=O)NC(CO)Cc1cccc(c1)F 527a_200012000099_100103153847 [1,1,0,0,0,0|1,0,1]=4 142 B15R1.670 CC(=O)NC(CO)Cc1ccccc1Cl 240690a_100012001541_100015343762 [1,1,0,0,0,0|1,0,1]=4 143 B15R1.670 CC(=O)NC(CO)Cc1ccccc1Cl 527a_100012001541_100103153847 [1,1,0,0,0,0|1,0,1]=4 144 B15R1.671 CC(=O)N(C)[C@H](CO)Cc1ccccc1 240690a_100016995599_100015343762 [1,1,0,0,0,0|1,0,1]=4 145 B15R1.671 CC(=O)N(C)[C@H](CO)Cc1ccccc1 527a_100016995599_100103153847 [1,1,0,0,0,0|1,0,1]=4 146 B15R1.966 C=CC(=O)NC(CO)Cc1ccccc1 240690a_100000739027_200121576911 [1,1,0,0,0,0|1,0,1]=4 147 B15R1.966 CCC(=O)NC(CO)Cc1ccccc1 240690a_100000739027_100000210414 [1,1,0,0,0,0|1,0,1]=4 148 B15R1.966 CCC(=O)NC(CO)Cc1ccccc1 527a_100000739027_100000210414 [1,1,0,0,0,0|1,0,1]=4 149 B15R1.966 CNC(=O)NC(C#N)Cc1ccccc1 2708a_100000746547_106832991635 [1,1,0,0,0,0|1,0,1]=4 150 B15R1.966 CNC(=O)NC(C#N)Cc1ccccc1 2708a_100102657272_100000746547 [1,1,0,0,0,0|1,0,1]=4 151 B15R1.966 CNC(=O)NC(C#N)Cc1ccccc1 273464a_100000746547_100102657272 [1,1,0,0,0,0|1,0,1]=4 152 B15R1.966 CNC(=O)NC(C#N)Cc1ccccc1 273464a_100102657272_100000746547 [1,1,0,0,0,0|1,0,1]=4 153 B15R1.966 CNC(=O)NC(C#N)Cc1ccccc1 512a_106832991638_100000746547 [1,1,0,0,0,0|1,0,1]=4 154 B15R1.966 CNC(=O)NC(CO)Cc1ccccc1 2708a_100102657272_100000739027 [1,1,0,0,0,0|0,0,1]=3 155 B15R1.966 CNC(=O)NC(CO)Cc1ccccc1 273464a_100000739027_100102657272 [1,1,0,0,0,0|0,0,1]=3 156 B15R1.966 CNC(=O)NC(CO)Cc1ccccc1 273464a_100102657272_100000739027 [1,1,0,0,0,0|0,0,1]=3 157 B15R1.966 CNC(=O)NC(CO)Cc1ccccc1 512a_106832991638_100000739027 [1,1,0,0,0,0|0,0,1]=3 158 B15R1.966 CNC(=O)NC(CO)Cc1cccnc1 2708a_100102657272_100000717814 [1,1,0,0,0,0|1,0,1]=4 159 B15R1.966 CNC(=O)NC(CO)Cc1cccnc1 273464a_100000717814_100102657272 [1,1,0,0,0,0|1,0,1]=4 160 B15R1.966 CNC(=O)NC(CO)Cc1cccnc1 273464a_100102657272_100000717814 [1,1,0,0,0,0|1,0,1]=4 161 B15R1.966 CNC(=O)NC(CO)Cc1cccnc1 512a_106832991638_100000717814 [1,1,0,0,0,0|1,0,1]=4 162 B15R1.966 CNC(=O)NC(CO)Cc1ccncc1 2708a_100102657272_100000717866 [1,1,0,0,0,0|1,0,1]=4 163 B15R1.966 CNC(=O)NC(CO)Cc1ccncc1 273464a_100000717866_100102657272 [1,1,0,0,0,0|1,0,1]=4 164 B15R1.966 CNC(=O)NC(CO)Cc1ccncc1 273464a_100102657272_100000717866 [1,1,0,0,0,0|1,0,1]=4 165 B15R1.966 CNC(=O)NC(CO)Cc1ccncc1 512a_106832991638_100000717866 [1,1,0,0,0,0|1,0,1]=4 166 B15R1.966 O=C(CO)NC(CO)Cc1ccccc1 240690a_100000739027_100000210174 [1,1,0,0,0,0|1,0,1]=4 167 B15R1.966 O=C(CO)NC(CO)Cc1ccccc1 527a_100000739027_100000210174 [1,1,0,0,0,0|1,0,1]=4 168 B15R1.1310 CC(=O)N[C@H](CO[13CH3])Cc1ccccc1 34a_200012003393_200025704644 [1,1,0,0,0,0|1,0,1]=4 169 B15R1.1310 CC(=O)N[C@H](CO[13CH3])Cc1ccccc1 7a_200012003393_200025704644 [1,1,0,0,0,0|1,0,1]=4 170 B15R1.1310 COCC(Cc1ccccc1)NC(=O)C 11a_100000766165_100015343762 [1,1,0,0,0,0|1,0,1]=4 171 B15R1.1310 COCC(Cc1ccccc1)NC(=O)C 1626a_100000766165_100015343762 [1,1,0,0,0,0|1,0,1]=4 172 B15R1.1310 COCC(Cc1ccccc1)NC(=O)C 240690a_100000766165_100015343762 [1,1,0,0,0,0|1,0,1]=4 173 B15R1.1310 COCC(Cc1ccccc1)NC(=O)C 527a_100000766165_100103153847 [1,1,0,0,0,0|1,0,1]=4 174 B15R1.1310 COC[C@H](Cc1ccccc1)NC(=O)C 34a_200012003393_200000210301 [1,1,0,0,0,0|1,0,1]=4 175 B15R1.1310 COC[C@H](Cc1ccccc1)NC(=O)C 7a_200012003393_200000210301 [1,1,0,0,0,0|1,0,1]=4 176 B15R1.1357 CC(=O)N[C@H](CO)[C@H](O)c1ccccc1 240690a_100000004308_100015343762 [1,1,0,0,0,0|1,0,1]=4 177 B15R1.1357 CC(=O)N[C@H](CO)[C@H](O)c1ccccc1 527a_100000004308_100103153847 [1,1,0,0,0,0|1,0,1]=4 178 B15R1.623 CC(c1ccccc1)C(NCF)C(=O)O 269956a_100011215410_100015361967 [1,1,0,0,0,0|1,0,1]=4 179 B15R1.623 CCNC(C(=O)O)C(C)c1ccccc1 269956a_100011215410_100000210202 [1,1,0,0,0,0|1,0,1]=4 180 B15R1.1302 CCNC(Cc1cccc(c1)Cl)C(=O)O 269956a_100000685206_100000210202 [1,1,0,0,0,0|1,0,1]=4 181 B15R1.1302 CCNC(Cc1cccc(c1)F)C(=O)O 269956a_100102707141_100000210202 [1,1,0,0,0,0|1,0,1]=4 182 B15R1.1302 O=C(O)C(Cc1cccc(c1)Cl)NCF 269956a_100000685206_100015361967 [1,1,0,0,0,0|1,0,1]=4 183 B15R1.1302 O=C(O)C(Cc1cccc(c1)F)NCF 269956a_100102707141_100015361967 [1,1,0,0,0,0|1,0,1]=4 184 B15R1.1311 CCNC(Cc1ccccc1Cl)C(=O)O 269956a_100020589136_100000210202 [1,1,0,0,0,0|1,0,1]=4 185 B15R1.1311 O=C(O)C(Cc1ccccc1Cl)NCF 269956a_100020589136_100015361967 [1,1,0,0,0,0|1,0,1]=4 186 B15R1.3922 C=CCNC(Cc1ccccc1)C(=O)N 2230a_100000745710_100000210623 [1,1,0,0,0,0|2,0,0]=4 187 B15R1.3922 C=CCNC(Cc1ccccc1)C(=O)N 34a_100000745710_100015514636 [1,1,0,0,0,0|2,0,0]=4 188 B15R1.3922 NC(=O)C(Cc1ccccc1)NCC=O 2230a_100000745710_200015260668 [1,1,0,0,0,0|1,0,0]=3 189 B15R1.3922 NC(=O)C(Cc1ccccc1)NCC=O 34a_100000745710_200009817547 [1,1,0,0,0,0|1,0,0]=3 190 B15R1.34641 CC(Cc1ccccc1)(NCF)C(=O)O 269956a_100025773586_100015361967 [1,1,0,0,0,0|1,0,1]=4 191 B15R1.34641 CCNC(C)(Cc1ccccc1)C(=O)O 269956a_100025773586_100000210202 [1,1,0,0,0,0|1,0,1]=4 192 B15R1.4689 COC(=O)[C@H](Cc1ccco1)NC(=O)C 188690a_200009819693_100015343762 [0,1,0,0,1,0|2,0,0]=4 193 B15R1.4689 COC(=O)[C@H](Cc1cccs1)NC(=O)C 188690a_103436546163_100015343762 [0,1,0,0,1,0|2,0,0]=4 194 B15R1.5732 CC(=O)C(Cc1cccc(c1)Cl)C(=O)C 1458a_100000070787_200009990483 [0,1,0,0,1,0|2,0,0]=4 195 B15R1.11335 CC(=O)C(Cc1ccc(cc1)Cl)C(=O)C 1458a_100000070787_200009990494 [0,1,0,0,1,0|2,0,0]=4 196 B15R1.3197 CC(=O)NC(C(=O)CF)c1ccccc1 1458a_100000195599_100015361967 [0,1,0,0,1,0|2,0,0]=4 197 B15R1.3197 CCC(=O)C(NC(=O)C)c1ccccc1 1458a_100000195599_100000210202 [0,1,0,0,1,0|2,0,0]=4 198 B15R1.3197 CNC(=O)C(NC(=O)C)c1ccccc1 11a_100000741928_100015343762 [0,1,0,0,1,0|2,0,0]=4 199 B15R1.3197 CNC(=O)C(NC(=O)C)c1ccccc1 11a_106832991635_100000195599 [0,1,0,0,1,0|2,0,0]=4 200 B15R1.3197 CNC(=O)C(NC(=O)C)c1ccccc1 1626a_100000741928_100015343762 [0,1,0,0,1,0|2,0,0]=4 201 B15R1.3197 CNC(=O)C(NC(=O)C)c1ccccc1 1626a_100102657272_100000195599 [0,1,0,0,1,0|2,0,0]=4 202 B15R1.3197 CNC(=O)C(NC(=O)C)c1ccccc1 240690a_100000741928_100015343762 [0,1,0,0,1,0|2,0,0]=4 203 B15R1.3197 CNC(=O)C(NC(=O)C)c1ccccc1 240690a_100102657272_100000195599 [0,1,0,0,1,0|2,0,0]=4 204 B15R1.3197 CNC(=O)C(NC(=O)C)c1ccccc1 527a_100000741928_100103153847 [0,1,0,0,1,0|2,0,0]=4 205 B15R1.3197 CNC(=O)C(NC(=O)C)c1ccccc1 527a_100102657272_100000195599 [0,1,0,0,1,0|2,0,0]=4 206 B15R1.3197 COC(=O)C(NC(=O)C)c1ccncc1 188690a_200020587145_100015343762 [0,1,0,0,1,0|2,0,0]=4 207 B15R1.3197 COC(=O)[C@H](NC(=O)C)c1ccccc1 188690a_100016988206_100015343762 [0,1,0,0,1,0|1,0,0]=3 208 B15R1.11817 C=CC(=O)N[C@@H](C(=O)N)c1ccccc1 1626a_100011423151_100000185746 [0,1,0,0,1,0|2,0,0]=4 209 B15R1.11817 C=CC(=O)N[C@@H](C(=O)N)c1ccccc1 240690a_100011423151_200121576911 [0,1,0,0,1,0|2,0,0]=4 210 B15R1.11817 CCC(=O)NC(C(=O)C)c1ccccc1 1458a_100000195601_200000210301 [0,1,0,0,1,0|2,0,0]=4 211 B15R1.11817 CCC(=O)NC(C(=O)[13CH3])c1ccccc1 1458a_100000195601_200025704644 [0,1,0,0,1,0|2,0,0]=4 212 B15R1.11817 CCC(=O)N[C@@H](C(=O)N)c1ccccc1 11a_100011423151_100000210414 [0,1,0,0,1,0|2,0,0]=4 213 B15R1.11817 CCC(=O)N[C@@H](C(=O)N)c1ccccc1 1626a_100011423151_100000210414 [0,1,0,0,1,0|2,0,0]=4 214 B15R1.11817 CCC(=O)N[C@@H](C(=O)N)c1ccccc1 240690a_100011423151_100000210414 [0,1,0,0,1,0|2,0,0]=4 215 B15R1.11817 CCC(=O)N[C@@H](C(=O)N)c1ccccc1 527a_100011423151_100000210414 [0,1,0,0,1,0|2,0,0]=4 216 B15R1.11817 CNC(=O)N[C@@H](C(=O)N)c1ccccc1 2708a_100102657272_100011423151 [0,1,0,0,1,0|1,0,0]=3 217 B15R1.11817 CNC(=O)N[C@@H](C(=O)N)c1ccccc1 273464a_100102657272_100011423151 [0,1,0,0,1,0|1,0,0]=3 218 B15R1.11817 CNC(=O)N[C@@H](C(=O)N)c1ccccc1 512a_106832991638_100011423151 [0,1,0,0,1,0|1,0,0]=3 219 B15R1.11817 CNC(=O)N[C@@H](c1ccccc1)[C@H](C)O 2708a_100102657272_100134616770 [0,1,0,0,1,0|1,0,1]=4 220 B15R1.11817 CNC(=O)N[C@@H](c1ccccc1)[C@H](C)O 273464a_100102657272_100134616770 [0,1,0,0,1,0|1,0,1]=4 221 B15R1.11817 CNC(=O)N[C@@H](c1ccccc1)[C@H](C)O 512a_106832991638_100134616770 [0,1,0,0,1,0|1,0,1]=4 222 B15R1.11817 COC(=O)N[C@@H](C(=O)C)c1ccccc1 1458a_100011418172_200000210301 [0,1,0,0,1,0|2,0,0]=4 223 B15R1.11817 COC(=O)N[C@@H](C(=O)[13CH3])c1ccccc1 1458a_100011418172_200025704644 [0,1,0,0,1,0|2,0,0]=4 224 B15R1.11817 NC(=O)[C@H](NC(=O)CO)c1ccccc1 240690a_100011423151_100000210174 [0,1,0,0,1,0|2,0,0]=4 225 B15R1.11817 NC(=O)[C@H](NC(=O)CO)c1ccccc1 527a_100011423151_100000210174 [0,1,0,0,1,0|2,0,0]=4 226 B17R1.4189 CC(C(=O)O)N(CC(=O)N)Cc1ccccc1 269956a_100000740634_100000187820 [0,1,0,0,0,1|2,0,0]=4 227 B17R1.7968 CNC(=O)CN(CC(=O)O)Cc1ccccc1 269956a_100000745947_100000183359 [0,1,0,0,0,1|2,0,0]=4 228 B17R1.7968 COC(=O)CN(CC(=O)N)Cc1ccccc1 2230a_100000219879_100000747473 [0,1,0,0,0,1|2,0,0]=4 229 B17R1.7968 COC(=O)CN(CC(=O)N)Cc1ccccc1 269982a_100000219879_100000187820 [0,1,0,0,0,1|2,0,0]=4 230 B17R1.8289 NC(=O)CN(CC(=O)O)Cc1ccc(cc1)Cl 269956a_100000756320_100000187820 [0,1,0,0,0,1|2,0,0]=4 231 B17R1.8835 NC(=O)CN(CC(=O)O)Cc1cccc(c1)Br 269956a_114849113268_100000187820 [0,1,0,0,0,1|2,0,0]=4 232 B17R1.11258 Cc1ccccc1CN(CC(=O)N)CC(=O)O 269956a_200000743881_100000187820 [0,1,0,0,0,1|2,0,0]=4 233 B17R1.11258 NC(=O)CN(CC(=O)O)Cc1ccccc1Br 269956a_100000735713_100000187820 [0,1,0,0,0,1|2,0,0]=4 234 B17R1.16622 C[C@@H](c1ccccc1)N(CC(=O)N)CC(=O)O 269956a_100011939985_100000187820 [0,1,0,0,0,1|2,0,0]=4 235 B17R1.7987 CC(=O)NC(CCc1ccccc1)C(=O)CF 1458a_200011902799_100015361967 [0,1,0,0,0,1|2,0,0]=4 236 B17R1.7987 CC(=O)NC(CSc1ccccc1)C(=O)CF 1458a_200011218355_100015361967 [0,1,0,0,0,1|2,0,0]=4 237 B17R1.7987 CCC(=O)C(CCc1ccccc1)NC(=O)C 1458a_200011902799_100000210202 [0,1,0,0,0,1|2,0,0]=4 238 B17R1.7987 CCC(=O)C(CSc1ccccc1)NC(=O)C 1458a_200011218355_100000210202 [0,1,0,0,0,1|2,0,0]=4 239 B17R1.7987 CNC(=O)C(CCc1ccccc1)NC(=O)C 11a_106832991635_200011902799 [0,1,0,0,0,1|2,0,0]=4 240 B17R1.7987 CNC(=O)C(CCc1ccccc1)NC(=O)C 1626a_100102657272_200011902799 [0,1,0,0,0,1|2,0,0]=4 241 B17R1.7987 CNC(=O)C(CCc1ccccc1)NC(=O)C 240690a_100102657272_200011902799 [0,1,0,0,0,1|2,0,0]=4 242 B17R1.7987 CNC(=O)C(CCc1ccccc1)NC(=O)C 527a_100102657272_200011902799 [0,1,0,0,0,1|2,0,0]=4 243 B17R1.7987 CNC(=O)C(CSc1ccccc1)NC(=O)C 11a_106832991635_200011218355 [0,1,0,0,0,1|2,0,0]=4 244 B17R1.7987 CNC(=O)C(CSc1ccccc1)NC(=O)C 1626a_100102657272_200011218355 [0,1,0,0,0,1|2,0,0]=4 245 B17R1.7987 CNC(=O)C(CSc1ccccc1)NC(=O)C 240690a_100102657272_200011218355 [0,1,0,0,0,1|2,0,0]=4 246 B17R1.7987 CNC(=O)C(CSc1ccccc1)NC(=O)C 527a_100102657272_200011218355 [0,1,0,0,0,1|2,0,0]=4 247 B17R1.7987 COC(=O)C(CCc1ccccc1)NC(=O)C 188690a_200020641770_100015343762 [0,1,0,0,0,1|1,0,0]=3 248 B17R1.7987 COC(=O)C(CSc1ccccc1)NC(=O)C 62a_100000719477_100000763271 [0,1,0,0,0,1|1,0,0]=3 249 B17R1.7987 COC(=O)C(CSc1ccccc1)NC(=O)C 62a_100000763271_100000041952 [0,1,0,0,0,1|1,0,0]=3 250 B17R1.7987 COC(=O)C(CSc1ccccn1)NC(=O)C 62a_100000763271_100011216584 [0,1,0,0,0,1|2,0,0]=4 251 B17R1.7987 COC(=O)C(CSc1ccccn1)NC(=O)C 62a_100011216584_100000763271 [0,1,0,0,0,1|2,0,0]=4 252 B17R1.7987 COC(=O)C(CSc1cccnc1)NC(=O)C 62a_100000210063_100000763271 [0,1,0,0,0,1|2,0,0]=4 253 B17R1.7987 COC(=O)C(CSc1cccnc1)NC(=O)C 62a_100000763271_100000210063 [0,1,0,0,0,1|2,0,0]=4 254 B17R1.7987 COC(=O)C(CSc1ccncc1)NC(=O)C 62a_100000728582_100000763271 [0,1,0,0,0,1|2,0,0]=4 255 B17R1.7987 COC(=O)C(CSc1ccncc1)NC(=O)C 62a_100000763271_100000728582 [0,1,0,0,0,1|2,0,0]=4 256 B17R1.8827 Cc1cccc(c1)CN[C@@H](CC(=O)N)C(=O)N 2230a_100000143228_100000211840 [0,1,0,0,0,1|2,0,0]=4 257 B17R1.8827 NC(=O)C[C@H](NCc1cccc(c1)Br)C(=O)N 2230a_100000143228_100000698116 [0,1,0,0,0,1|2,0,0]=4 258 B17R1.8827 NC(=O)C[C@H](NCc1cccc(c1)Cl)C(=O)N 2230a_100000143228_100000181238 [0,1,0,0,0,1|2,0,0]=4 259 B17R1.8827 NC(=O)C[C@H](NCc1cccc(c1)F)C(=O)N 2230a_100000143228_100000230114 [0,1,0,0,0,1|2,0,0]=4 260 B17R1.8827 NC(=O)C[C@H](NCc1cccc(c1)I)C(=O)N 2230a_100000143228_100011218688 [0,1,0,0,0,1|2,0,0]=4 261 B17R1.8827 NC(=O)C[C@H](NCc1cccc(c1)O)C(=O)N 2230a_100000143228_100011660834 [0,1,0,0,0,1|2,0,0]=4 262 B17R1.11273 Cc1ccccc1CN[C@@H](CC(=O)N)C(=O)N 2230a_100000143228_100000211839 [0,1,0,0,0,1|2,0,0]=4 263 B17R1.11273 NC(=O)C[C@H](NCc1ccccc1Br)C(=O)N 2230a_100000143228_100000184730 [0,1,0,0,0,1|2,0,0]=4 264 B17R1.11273 NC(=O)C[C@H](NCc1ccccc1Cl)C(=O)N 2230a_100000143228_100000187162 [0,1,0,0,0,1|2,0,0]=4 265 B17R1.11273 NC(=O)C[C@H](NCc1ccccc1F)C(=O)N 2230a_100000143228_100000211605 [0,1,0,0,0,1|2,0,0]=4 266 B17R1.11273 NC(=O)C[C@H](NCc1ccccc1I)C(=O)N 2230a_100000143228_100011215278 [0,1,0,0,0,1|2,0,0]=4 267 B17R1.23553 CC(=O)NC(CSc1ccc(cc1)Br)C(=O)C 1458a_100005847748_200000210301 [0,1,0,0,0,1|2,0,0]=4 268 B17R1.23553 CC(=O)NC(CSc1ccc(cc1)Br)C(=O)[13CH3] 1458a_100005847748_200025704644 [0,1,0,0,0,1|2,0,0]=4 269 B17R1.23553 Cc1ccc(cc1)CN[C@@H](CC(=O)N)C(=O)N 2230a_100000143228_100000210814 [0,1,0,0,0,1|2,0,0]=4 270 B17R1.23553 NC(=O)C[C@H](NCc1ccc(cc1)Br)C(=O)N 2230a_100000143228_100011217064 [0,1,0,0,0,1|2,0,0]=4 271 B17R1.23553 NC(=O)C[C@H](NCc1ccc(cc1)Cl)C(=O)N 2230a_100000143228_100000694040 [0,1,0,0,0,1|2,0,0]=4 272 B17R1.23553 NC(=O)C[C@H](NCc1ccc(cc1)F)C(=O)N 2230a_100000143228_100000198546 [0,1,0,0,0,1|2,0,0]=4 273 B17R1.23553 NC(=O)C[C@H](NCc1ccc(cc1)I)C(=O)N 2230a_100000143228_100000189116 [0,1,0,0,0,1|2,0,0]=4 274 B17R1.26184 CC(N[C@@H](CC(=O)N)C(=O)N)c1ccccc1 2230a_100000143228_100000230085 [0,1,0,0,0,1|2,0,0]=4 275 B17R1.8831 C=C(C)CNC(Cc1cccc(c1)Cl)C(=O)O 269956a_100000685206_100000748629 [0,1,0,0,0,1|2,0,0]=4 276 B17R1.8831 C=C(C)CNC(Cc1cccc(c1)F)C(=O)O 269956a_100102707141_100000748629 [0,1,0,0,0,1|2,0,0]=4 277 B17R1.8831 C=C(F)CNC(Cc1cccc(c1)Cl)C(=O)O 269956a_100000685206_100000042424 [0,1,0,0,0,1|2,0,0]=4 278 B17R1.8831 C=C(F)CNC(Cc1cccc(c1)F)C(=O)O 269956a_100102707141_100000042424 [0,1,0,0,0,1|2,0,0]=4 279 B17R1.8831 CC(=O)C(Cc1cccc(c1)Cl)NCC(=O)O 269956a_100016091260_200009990483 [0,1,0,0,0,1|2,0,0]=4 280 B17R1.8831 CC(=O)C(Cc1cccc(c1)Cl)SCC(=O)N 62a_100000747473_200009990483 [0,1,0,0,0,1|2,0,0]=4 281 B17R1.8831 CC(=O)C(Cc1cccc(c1)Cl)SCC(=O)N 62a_200009990483_100000747473 [0,1,0,0,0,1|2,0,0]=4 282 B17R1.8831 NC(=O)CNC(Cc1cccc(c1)Cl)C(=O)O 269956a_100000685206_100000187820 [0,1,0,0,0,1|0,0,0]=2 283 B17R1.8831 NC(=O)CNC(Cc1cccc(c1)F)C(=O)O 269956a_100102707141_100000187820 [0,1,0,0,0,1|0,0,0]=2 284 B17R1.8831 O=C(O)C(Cc1cccc(c1)Cl)NC[N+](=O)[O-] 269956a_100000685206_100000761209 [0,1,0,0,0,1|2,0,0]=4 285 B17R1.8831 O=C(O)C(Cc1cccc(c1)F)NC[N+](=O)[O-] 269956a_100102707141_100000761209 [0,1,0,0,0,1|2,0,0]=4 286 B17R1.8831 O=C([O-])CNC(Cc1cccc(c1)Cl)C(=O)O 269956a_100000685206_100020667443 [0,1,0,0,0,1|1,0,0]=3 287 B17R1.8831 O=C([O-])CNC(Cc1cccc(c1)F)C(=O)O 269956a_100102707141_100020667443 [0,1,0,0,0,1|1,0,0]=3 288 B17R1.8997 C=C(C)CNC(Cc1ccccc1Cl)C(=O)O 269956a_100020589136_100000748629 [0,1,0,0,0,1|2,0,0]=4 289 B17R1.8997 C=C(F)CNC(Cc1ccccc1Cl)C(=O)O 269956a_100020589136_100000042424 [0,1,0,0,0,1|2,0,0]=4 290 B17R1.8997 NC(=O)CNC(Cc1ccccc1Cl)C(=O)O 269956a_100020589136_100000187820 [0,1,0,0,0,1|0,0,0]=2 291 B17R1.8997 O=C(O)C(Cc1ccccc1Cl)NC[N+](=O)[O-] 269956a_100020589136_100000761209 [0,1,0,0,0,1|2,0,0]=4 292 B17R1.8997 O=C([O-])CNC(Cc1ccccc1Cl)C(=O)O 269956a_100020589136_100020667443 [0,1,0,0,0,1|1,0,0]=3 293 B17R1.23536 CC(=O)C(Cc1ccc(cc1)Cl)NCC(=O)O 269956a_100016091260_200009990494 [0,1,0,0,0,1|2,0,0]=4 294 B17R1.23536 CC(=O)C(Cc1ccc(cc1)Cl)SCC(=O)N 62a_100000747473_200009990494 [0,1,0,0,0,1|2,0,0]=4 295 B17R1.23536 CC(=O)C(Cc1ccc(cc1)Cl)SCC(=O)N 62a_200009990494_100000747473 [0,1,0,0,0,1|2,0,0]=4 296 B17R1.23536 NC(=O)CN[C@@H](Cc1ccc(cc1)O)C(=O)N 2230a_100011423149_100000747473 [0,1,0,0,0,1|1,0,0]=3 297 B17R1.23536 NC(=O)CN[C@@H](Cc1ccc(cc1)O)C(=O)N 34a_100011423149_100000187820 [0,1,0,0,0,1|1,0,0]=3 298 B17R1.23536 NC(=O)[C@H](Cc1ccc(cc1)O)NCC(=O)[O-] 34a_100011423149_100020667443 [0,1,0,0,0,1|2,0,0]=4 299 B17R1.23844 CNC(=O)C(Cc1ccccc1)NCC(=O)N 2230a_100000719550_100000747473 [0,1,0,0,0,1|1,0,0]=3 300 B17R1.23844 CNC(=O)C(Cc1ccccc1)NCC(=O)N 34a_100000719550_100000187820 [0,1,0,0,0,1|1,0,0]=3 301 B17R1.23844 CNC(=O)C(Cc1ccccc1)NCC(=O)[O-] 34a_100000719550_100020667443 [0,1,0,0,0,1|2,0,0]=4 302 B17R1.23844 COC(=O)C(CNC(=O)C)Cc1ccccc1 188690a_100020620866_100015343762 [0,1,0,0,0,1|1,0,0]=3 303 B17R1.23844 COC(=O)C(Cc1ccccc1)NCC(=O)O 269956a_100016091260_100000764117 [0,1,0,0,0,1|1,0,0]=3 304 B17R1.23844 COC(=O)C(Cc1ccccc1)OCC(=O)C 34a_100000211253_100000764117 [0,1,0,0,0,1|2,0,0]=4 305 B17R1.23844 COC(=O)C(Cc1ccccc1)SCC(=O)N 62a_100000747473_100000764117 [0,1,0,0,0,1|1,0,0]=3 306 B17R1.23844 COC(=O)C(Cc1ccccc1)SCC(=O)N 62a_100000764117_100000747473 [0,1,0,0,0,1|1,0,0]=3 307 B17R1.23844 COC(=O)C(Cc1ccccc1)SCC(=O)[O-] 62a_100000764117_100020667443 [0,1,0,0,0,1|2,0,0]=4 308 B17R1.23844 COC(=O)C(Cc1ccccc1)SCC(=O)[O-] 62a_100020667443_100000764117 [0,1,0,0,0,1|2,0,0]=4 309 B17R1.23844 COC(=O)[C@@H](Cc1ccccc1)OCC(=O)N 34a_100009819611_100000187820 [0,1,0,0,0,1|1,0,0]=3 310 B17R1.23844 COC(=O)[C@@H](Cc1ccccc1)OCC(=O)N 7a_100009819611_100000187820 [0,1,0,0,0,1|1,0,0]=3 311 B17R1.23844 COC(=O)[C@@H](Cc1ccccc1)OCC(=O)[O-] 34a_100009819611_100020667443 [0,1,0,0,0,1|2,0,0]=4 312 B17R1.23844 NC(=O)CCN(Cc1ccccc1)C(=O)CO 240690a_100000177509_100000210174 [0,1,0,0,0,1|2,0,0]=4 313 B17R1.23844 NC(=O)CCN(Cc1ccccc1)C(=O)CO 527a_100000177509_100000210174 [0,1,0,0,0,1|2,0,0]=4 314 B17R1.24106 CNC(=O)CNC(Cc1ccccc1)C(=O)N 2230a_100000745710_100000183359 [0,1,0,0,0,1|1,0,0]=3 315 B17R1.24106 CNC(=O)CNC(Cc1ccccc1)C(=O)N 34a_100000745710_100000183359 [0,1,0,0,0,1|1,0,0]=3 316 B17R1.24106 COC(=O)CNC(Cc1ccccc1)C(=O)N 2230a_100000745710_100000747449 [0,1,0,0,0,1|2,0,0]=4 317 B17R1.24106 COC(=O)CNC(Cc1ccccc1)C(=O)N 34a_100000745710_100000747449 [0,1,0,0,0,1|2,0,0]=4 318 B17R1.26409 C=C(C)CNC(C(=O)O)C(C)c1ccccc1 269956a_100011215410_100000748629 [0,1,0,0,0,1|2,0,0]=4 319 B17R1.26409 C=C(F)CNC(C(=O)O)C(C)c1ccccc1 269956a_100011215410_100000042424 [0,1,0,0,0,1|2,0,0]=4 320 B17R1.26409 CC(c1ccccc1)C(NCC(=O)N)C(=O)O 269956a_100011215410_100000187820 [0,1,0,0,0,1|0,0,0]=2 321 B17R1.26409 CC(c1ccccc1)C(NCC(=O)[O-])C(=O)O 269956a_100011215410_100020667443 [0,1,0,0,0,1|1,0,0]=3 322 B17R1.26409 CC(c1ccccc1)C(NC[N+](=O)[O-])C(=O)O 269956a_100011215410_100000761209 [0,1,0,0,0,1|2,0,0]=4 323 B17R1.36429 CC(=O)C(C)NC(Cc1ccccc1)C(=O)N 2230a_100000745710_100009814033 [0,1,0,0,0,1|2,0,0]=4 324 B17R1.36429 CC(NC(Cc1ccccc1)C(=O)N)C(=O)N 2230a_100000745710_100000702099 [0,1,0,0,0,1|1,0,0]=3 325 B17R1.36429 CC(NC(Cc1ccccc1)C(=O)N)C(=O)N 34a_100000745710_100000702099 [0,1,0,0,0,1|1,0,0]=3 326 B17R1.36429 NC(=O)C(=O)NC(Cc1ccccc1)C(=O)N 240690a_100000745710_100011215815 [0,1,0,0,0,1|1,0,0]=3 327 B17R1.36429 NC(=O)C(Cc1ccccc1)NC(F)C(=O)[O-] 34a_100000745710_100020610796 [0,1,0,0,0,1|2,0,0]=4 328 B17R1.36429 NC(=O)C(F)NC(Cc1ccccc1)C(=O)N 2230a_100000745710_100009813875 [0,1,0,0,0,1|1,0,0]=3 329 B17R1.36429 NC(=O)C(F)NC(Cc1ccccc1)C(=O)N 34a_100000745710_100009813875 [0,1,0,0,0,1|1,0,0]=3 330 B17R1.412630 C=C(C)CNC(C)(Cc1ccccc1)C(=O)O 269956a_100025773586_100000748629 [0,1,0,0,0,1|2,0,0]=4 331 B17R1.412630 C=C(F)CNC(C)(Cc1ccccc1)C(=O)O 269956a_100025773586_100000042424 [0,1,0,0,0,1|2,0,0]=4 332 B17R1.412630 CC(Cc1ccccc1)(NCC(=O)N)C(=O)O 269956a_100025773586_100000187820 [0,1,0,0,0,1|0,0,0]=2 333 B17R1.412630 CC(Cc1ccccc1)(NCC(=O)[O-])C(=O)O 269956a_100025773586_100020667443 [0,1,0,0,0,1|1,0,0]=3 334 B17R1.412630 CC(Cc1ccccc1)(NC[N+](=O)[O-])C(=O)O 269956a_100025773586_100000761209 [0,1,0,0,0,1|2,0,0]=4 335 B17R1.6931 COC(=O)C(Cc1cccc(c1)Br)NC(=O)C 188690a_100102946621_100015343762 [0,2,0,0,0,0|1,0,0]=3 336 B17R1.6931 COC(=O)C(Cc1cccc(c1)F)NC(=O)C 188690a_100102836865_100015343762 [0,2,0,0,0,0|1,0,0]=3 337 B17R1.6931 COC(=O)[C@H](Cc1cccc(c1)O)NC(=O)C 188690a_100016991376_100015343762 [0,2,0,0,0,0|1,0,0]=3 338 B17R1.6937 CC(=O)NC(Cc1ccccc1F)C(=O)CF 1458a_200011218568_100015361967 [0,2,0,0,0,0|2,0,0]=4 339 B17R1.6937 CCC(=O)C(Cc1ccccc1F)NC(=O)C 1458a_200011218568_100000210202 [0,2,0,0,0,0|2,0,0]=4 340 B17R1.6937 CNC(=O)C(Cc1ccccc1F)NC(=O)C 11a_106832991635_200011218568 [0,2,0,0,0,0|2,0,0]=4 341 B17R1.6937 CNC(=O)C(Cc1ccccc1F)NC(=O)C 1626a_100102657272_200011218568 [0,2,0,0,0,0|2,0,0]=4 342 B17R1.6937 CNC(=O)C(Cc1ccccc1F)NC(=O)C 240690a_100102657272_200011218568 [0,2,0,0,0,0|2,0,0]=4 343 B17R1.6937 CNC(=O)C(Cc1ccccc1F)NC(=O)C 527a_100102657272_200011218568 [0,2,0,0,0,0|2,0,0]=4 344 B17R1.6937 COC(=O)[C@H](Cc1ccccc1F)NC(=O)C 188690a_200134617282_100015343762 [0,2,0,0,0,0|1,0,0]=3 345 B17R1.6938 COC(=O)[C@H](Cc1ccccc1)N(C)C(=O)C 11a_100000743191_100015343762 [0,2,0,0,0,0|1,0,0]=3 346 B17R1.6938 COC(=O)[C@H](Cc1ccccc1)N(C)C(=O)C 1626a_100000743191_100015343762 [0,2,0,0,0,0|1,0,0]=3 347 B17R1.6938 COC(=O)[C@H](Cc1ccccc1)N(C)C(=O)C 240690a_100000743191_100015343762 [0,2,0,0,0,0|1,0,0]=3 348 B17R1.6938 COC(=O)[C@H](Cc1ccccc1)N(C)C(=O)C 527a_100000743191_100103153847 [0,2,0,0,0,0|1,0,0]=3 349 B17R1.7966 C=CC(=O)NC(Cc1ccccc1)C(=O)NC 1626a_100000719550_100000185746 [0,2,0,0,0,0|2,0,0]=4 350 B17R1.7966 C=CC(=O)NC(Cc1ccccc1)C(=O)NC 240690a_100000719550_200121576911 [0,2,0,0,0,0|2,0,0]=4 351 B17R1.7966 CCC(=O)C[C@@H](Cc1ccccc1)C(=O)OC 1458a_100000010559_100000210202 [0,2,0,0,0,0|2,0,0]=4 352 B17R1.7966 CCC(=O)NC(Cc1ccccc1)C(=O)NC 11a_100000719550_100000210414 [0,2,0,0,0,0|2,0,0]=4 353 B17R1.7966 CCC(=O)NC(Cc1ccccc1)C(=O)NC 1626a_100000719550_100000210414 [0,2,0,0,0,0|2,0,0]=4 354 B17R1.7966 CCC(=O)NC(Cc1ccccc1)C(=O)NC 240690a_100000719550_100000210414 [0,2,0,0,0,0|2,0,0]=4 355 B17R1.7966 CCC(=O)NC(Cc1ccccc1)C(=O)NC 527a_100000719550_100000210414 [0,2,0,0,0,0|2,0,0]=4 356 B17R1.7966 CCC(=O)NC(Cc1cccnc1)C(=O)OC 188690a_100121595588_100000210414 [0,2,0,0,0,0|2,0,0]=4 357 B17R1.7966 CCC(=O)N[C@@H](Cc1ccccc1)C(=O)OC 188690a_100000009509_100000210414 [0,2,0,0,0,0|1,0,0]=3 358 B17R1.7966 CCC(=O)N[C@H](Cc1ccccn1)C(=O)OC 188690a_100020631003_100000210414 [0,2,0,0,0,0|2,0,0]=4 359 B17R1.7966 CCC(=O)[C@@H](Cc1ccccc1)NC(=O)OC 1458a_100012355454_100000210202 [0,2,0,0,0,0|2,0,0]=4 360 B17R1.7966 CNC(=O)C(Cc1ccccc1)NC(=O)CO 240690a_100000719550_100000210174 [0,2,0,0,0,0|2,0,0]=4 361 B17R1.7966 CNC(=O)C(Cc1ccccc1)NC(=O)CO 527a_100000719550_100000210174 [0,2,0,0,0,0|2,0,0]=4 362 B17R1.7966 CNC(=O)C[C@@H](Cc1ccccc1)C(=O)OC 11a_106832991635_100000010559 [0,2,0,0,0,0|1,0,0]=3 363 B17R1.7966 CNC(=O)C[C@@H](Cc1ccccc1)C(=O)OC 1626a_100102657272_100000010559 [0,2,0,0,0,0|1,0,0]=3 364 B17R1.7966 CNC(=O)C[C@@H](Cc1ccccc1)C(=O)OC 240690a_100102657272_100000010559 [0,2,0,0,0,0|1,0,0]=3 365 B17R1.7966 CNC(=O)C[C@@H](Cc1ccccc1)C(=O)OC 527a_100102657272_100000010559 [0,2,0,0,0,0|1,0,0]=3 366 B17R1.7966 CNC(=O)NC(Cc1ccccc1)C(=O)NC 2708a_100102657272_100000719550 [0,2,0,0,0,0|1,0,0]=3 367 B17R1.7966 CNC(=O)NC(Cc1ccccc1)C(=O)NC 273464a_100000719550_100102657272 [0,2,0,0,0,0|1,0,0]=3 368 B17R1.7966 CNC(=O)NC(Cc1ccccc1)C(=O)NC 273464a_100102657272_100000719550 [0,2,0,0,0,0|1,0,0]=3 369 B17R1.7966 CNC(=O)NC(Cc1ccccc1)C(=O)NC 512a_106832991638_100000719550 [0,2,0,0,0,0|1,0,0]=3 370 B17R1.7966 CNC(=O)[C@@H](Cc1ccccc1)NC(=O)OC 11a_106832991635_100012355454 [0,2,0,0,0,0|2,0,0]=4 371 B17R1.7966 CNC(=O)[C@@H](Cc1ccccc1)NC(=O)OC 1626a_100102657272_100012355454 [0,2,0,0,0,0|2,0,0]=4 372 B17R1.7966 CNC(=O)[C@@H](Cc1ccccc1)NC(=O)OC 240690a_100102657272_100012355454 [0,2,0,0,0,0|2,0,0]=4 373 B17R1.7966 COC(=O)C(Cc1cccnc1)NC(=O)CO 188690a_100121595588_100000210174 [0,2,0,0,0,0|2,0,0]=4 374 B17R1.7966 COC(=O)N[C@H](Cc1ccccc1)C(=O)CF 1458a_100012355454_100015361967 [0,2,0,0,0,0|2,0,0]=4 375 B17R1.7966 COC(=O)[C@@H](CC(=O)CF)Cc1ccccc1 1458a_100000010559_100015361967 [0,2,0,0,0,0|2,0,0]=4 376 B17R1.7966 COC(=O)[C@@H](Cc1ccccn1)NC(=O)CO 188690a_100020631003_100000210174 [0,2,0,0,0,0|2,0,0]=4 377 B17R1.7966 COC(=O)[C@H](Cc1ccccc1)NC(=O)CO 188690a_100000009509_100000210174 [0,2,0,0,0,0|1,0,0]=3 378 B17R1.18492 C#CCC(=O)[C@H](Cc1ccccc1)NC(=O)C 1458a_100011416797_100000184674 [0,2,0,0,0,0|2,0,0]=4 379 B17R1.18492 C=CCC(=O)[C@H](Cc1ccccc1)NC(=O)C 1458a_100011416797_100000210623 [0,2,0,0,0,0|2,0,0]=4 380 B17R1.18492 CC(=O)N[C@@H](Cc1ccccc1)C(=O)CC#N 1458a_100011416797_100011214920 [0,2,0,0,0,0|2,0,0]=4 381 B17R1.18492 CC(=O)N[C@@H](Cc1ccccc1)C(=O)CCF 1458a_100011416797_100011217306 [0,2,0,0,0,0|2,0,0]=4 382 B17R1.18492 CC(=O)N[C@@H](Cc1ccccc1)C(=O)CCO 1458a_100011416797_100000211926 [0,2,0,0,0,0|1,0,0]=3 383 B17R1.18492 CC(=O)O[C@@H](Cc1ccccc1)C(=O)CCO 1458a_200015294773_100000211926 [0,2,0,0,0,0|2,0,0]=4 384 B17R1.18492 CCCC(=O)[C@H](Cc1ccccc1)NC(=O)C 1458a_100011416797_100000210303 [0,2,0,0,0,0|2,0,0]=4 385 B17R1.18492 CCNC(=O)[C@H](Cc1ccccc1)NC(=O)C 11a_100015525214_100011416797 [0,2,0,0,0,0|2,0,0]=4 386 B17R1.18492 CCNC(=O)[C@H](Cc1ccccc1)NC(=O)C 240690a_100015525214_100011416797 [0,2,0,0,0,0|2,0,0]=4 387 B17R1.18492 CCNC(=O)[C@H](Cc1ccccc1)NC(=O)C 527a_100015525214_100011416797 [0,2,0,0,0,0|2,0,0]=4 388 B17R1.18492 CCOC(=O)C(Cc1ccccc1)NC(=O)C 188690a_100000743785_100015343762 [0,2,0,0,0,0|1,0,0]=3 389 B17R1.18492 CNNC(=O)[C@H](Cc1ccccc1)NC(=O)C 22a_100016993582_100011416797 [0,2,0,0,0,0|2,0,0]=4 390 B17R1.23809 CC(=O)NC(Cc1ccc(cc1)Br)C(=O)CF 1458a_200011216485_100015361967 [0,2,0,0,0,0|2,0,0]=4 391 B17R1.23809 CC(=O)NC(Cc1ccc(cc1)F)C(=O)CF 1458a_100011218019_100015361967 [0,2,0,0,0,0|2,0,0]=4 392 B17R1.23809 CC(=O)NC(Cc1ccc(cc1)I)C(=O)CF 1458a_200012290977_100015361967 [0,2,0,0,0,0|2,0,0]=4 393 B17R1.23809 CC(=O)N[C@@H](Cc1ccc(cc1)Cl)C(=O)CF 1458a_100010199457_100015361967 [0,2,0,0,0,0|2,0,0]=4 394 B17R1.23809 CC(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)CF 1458a_100011417693_100015361967 [0,2,0,0,0,0|2,0,0]=4 395 B17R1.23809 CCC(=O)C(Cc1ccc(cc1)Br)NC(=O)C 1458a_200011216485_100000210202 [0,2,0,0,0,0|2,0,0]=4 396 B17R1.23809 CCC(=O)C(Cc1ccc(cc1)F)NC(=O)C 1458a_100011218019_100000210202 [0,2,0,0,0,0|2,0,0]=4 397 B17R1.23809 CCC(=O)C(Cc1ccc(cc1)I)NC(=O)C 1458a_200012290977_100000210202 [0,2,0,0,0,0|2,0,0]=4 398 B17R1.23809 CCC(=O)C(Cc1ccc(cc1)O)NC(=O)N 1458a_200011194154_100000210202 [0,2,0,0,0,0|1,0,0]=3 399 B17R1.23809 CCC(=O)[C@H](Cc1ccc(cc1)Cl)NC(=O)C 1458a_100010199457_100000210202 [0,2,0,0,0,0|2,0,0]=4 400 B17R1.23809 CCC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)C 1458a_100011417693_100000210202 [0,2,0,0,0,0|2,0,0]=4 401 B17R1.23809 CNC(=O)C(Cc1ccc(cc1)Br)NC(=O)C 11a_106832991635_200011216485 [0,2,0,0,0,0|2,0,0]=4 402 B17R1.23809 CNC(=O)C(Cc1ccc(cc1)Br)NC(=O)C 1626a_100102657272_200011216485 [0,2,0,0,0,0|2,0,0]=4 403 B17R1.23809 CNC(=O)C(Cc1ccc(cc1)Br)NC(=O)C 240690a_100102657272_200011216485 [0,2,0,0,0,0|2,0,0]=4 404 B17R1.23809 CNC(=O)C(Cc1ccc(cc1)Br)NC(=O)C 527a_100102657272_200011216485 [0,2,0,0,0,0|2,0,0]=4 405 B17R1.23809 CNC(=O)C(Cc1ccc(cc1)F)NC(=O)C 11a_106832991635_100011218019 [0,2,0,0,0,0|2,0,0]=4 406 B17R1.23809 CNC(=O)C(Cc1ccc(cc1)F)NC(=O)C 1626a_100102657272_100011218019 [0,2,0,0,0,0|2,0,0]=4 407 B17R1.23809 CNC(=O)C(Cc1ccc(cc1)F)NC(=O)C 240690a_100102657272_100011218019 [0,2,0,0,0,0|2,0,0]=4 408 B17R1.23809 CNC(=O)C(Cc1ccc(cc1)F)NC(=O)C 527a_100102657272_100011218019 [0,2,0,0,0,0|2,0,0]=4 409 B17R1.23809 CNC(=O)C(Cc1ccc(cc1)I)NC(=O)C 11a_106832991635_200012290977 [0,2,0,0,0,0|2,0,0]=4 410 B17R1.23809 CNC(=O)C(Cc1ccc(cc1)I)NC(=O)C 1626a_100102657272_200012290977 [0,2,0,0,0,0|2,0,0]=4 411 B17R1.23809 CNC(=O)C(Cc1ccc(cc1)I)NC(=O)C 240690a_100102657272_200012290977 [0,2,0,0,0,0|2,0,0]=4 412 B17R1.23809 CNC(=O)C(Cc1ccc(cc1)I)NC(=O)C 527a_100102657272_200012290977 [0,2,0,0,0,0|2,0,0]=4 413 B17R1.23809 CNC(=O)C(Cc1ccc(cc1)O)NC(=O)N 240690a_100102657272_200011194154 [0,2,0,0,0,0|1,0,0]=3 414 B17R1.23809 CNC(=O)[C@H](Cc1ccc(cc1)Cl)NC(=O)C 11a_106832991635_100010199457 [0,2,0,0,0,0|2,0,0]=4 415 B17R1.23809 CNC(=O)[C@H](Cc1ccc(cc1)Cl)NC(=O)C 1626a_100102657272_100010199457 [0,2,0,0,0,0|2,0,0]=4 416 B17R1.23809 CNC(=O)[C@H](Cc1ccc(cc1)Cl)NC(=O)C 240690a_100102657272_100010199457 [0,2,0,0,0,0|2,0,0]=4 417 B17R1.23809 CNC(=O)[C@H](Cc1ccc(cc1)Cl)NC(=O)C 527a_100102657272_100010199457 [0,2,0,0,0,0|2,0,0]=4 418 B17R1.23809 CNC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)C 240690a_100102657272_100011417693 [0,2,0,0,0,0|2,0,0]=4 419 B17R1.23809 CNC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)C 527a_100102657272_100011417693 [0,2,0,0,0,0|2,0,0]=4 420 B17R1.23809 COC(=O)C(Cc1ccc(cc1)Cl)NC(=O)C 188690a_100016988313_100015343762 [0,2,0,0,0,0|1,0,0]=3 421 B17R1.23809 COC(=O)C(Cc1ccc(cc1)F)NC(=O)C 188690a_100000693178_100015343762 [0,2,0,0,0,0|1,0,0]=3 422 B17R1.23809 COC(=O)[C@@H](Cc1ccc(cc1)Br)NC(=O)C 188690a_100150708851_100015343762 [0,2,0,0,0,0|1,0,0]=3 423 B17R1.23809 COC(=O)[C@@H](Cc1ccc(cc1)O)NC(=O)C 188690a_100012184189_100015343762 [0,2,0,0,0,0|1,0,0]=3 424 B17R1.23809 COC(=O)[C@H](Cc1ccc(cc1)I)NC(=O)C 188690a_100032004906_100015343762 [0,2,0,0,0,0|1,0,0]=3 425 B17R1.23809 NC(=O)NC(Cc1ccc(cc1)O)C(=O)CF 1458a_200011194154_100015361967 [0,2,0,0,0,0|1,0,0]=3 426 B17R1.140383 COC(=O)C(C)(Cc1ccccc1)NC(=O)C 188690a_100016993286_100015343762 [0,2,0,0,0,0|1,0,0]=3 427 B17R1.5389 C#CCC(=O)NC(Cc1ccccc1)C(=O)N 1626a_100000745710_100011220946 [0,2,0,0,0,0|2,0,0]=4 428 B17R1.5389 C#CCC(=O)NC(Cc1ccccc1)C(=O)N 527a_100000745710_100011220946 [0,2,0,0,0,0|2,0,0]=4 429 B17R1.5389 C=CCC(=O)NC(Cc1ccccc1)C(=O)N 11a_100000745710_100000210193 [0,2,0,0,0,0|2,0,0]=4 430 B17R1.5389 C=CCC(=O)NC(Cc1ccccc1)C(=O)N 1626a_100000745710_100000210193 [0,2,0,0,0,0|2,0,0]=4 431 B17R1.5389 C=CCC(=O)NC(Cc1ccccc1)C(=O)N 240690a_100000745710_100000210193 [0,2,0,0,0,0|2,0,0]=4 432 B17R1.5389 C=CCC(=O)NC(Cc1ccccc1)C(=O)N 527a_100000745710_100000210193 [0,2,0,0,0,0|2,0,0]=4 433 B17R1.5389 CC(=O)C(Cc1ccccc1)NC(=O)CS[13CH3] 62a_100000008384_200025704644 [0,2,0,0,0,0|2,0,0]=4 434 B17R1.5389 CC(=O)C(Cc1ccccc1)NC(=O)CS[13CH3] 62a_200025704644_100000008384 [0,2,0,0,0,0|2,0,0]=4 435 B17R1.5389 CC=CC(=O)NC(Cc1ccccc1)C(=O)N 11a_100000745710_100000210699 [0,2,0,0,0,0|2,0,0]=4 436 B17R1.5389 CC=CC(=O)NC(Cc1ccccc1)C(=O)N 1626a_100000745710_100000210699 [0,2,0,0,0,0|2,0,0]=4 437 B17R1.5389 CC=CC(=O)NC(Cc1ccccc1)C(=O)N 240690a_100000745710_100000210699 [0,2,0,0,0,0|2,0,0]=4 438 B17R1.5389 CCCC(=O)NC(Cc1ccccc1)C(=O)N 11a_100000745710_100000211992 [0,2,0,0,0,0|2,0,0]=4 439 B17R1.5389 CCCC(=O)NC(Cc1ccccc1)C(=O)N 1626a_100000745710_100000211992 [0,2,0,0,0,0|2,0,0]=4 440 B17R1.5389 CCCC(=O)NC(Cc1ccccc1)C(=O)N 240690a_100000745710_100000211992 [0,2,0,0,0,0|2,0,0]=4 441 B17R1.5389 CCCC(=O)NC(Cc1ccccc1)C(=O)N 527a_100000745710_100000211992 [0,2,0,0,0,0|2,0,0]=4 442 B17R1.5389 CCNC(=O)NC(Cc1ccccc1)C(=O)N 2708a_100015525214_100000745710 [0,2,0,0,0,0|1,0,0]=3 443 B17R1.5389 CCNC(=O)NC(Cc1ccccc1)C(=O)N 273464a_100000745710_100015525214 [0,2,0,0,0,0|1,0,0]=3 444 B17R1.5389 CCNC(=O)NC(Cc1ccccc1)C(=O)N 273464a_100015525214_100000745710 [0,2,0,0,0,0|1,0,0]=3 445 B17R1.5389 CCNC(=O)NC(Cc1ccccc1)C(=O)N 512a_100015525214_100000745710 [0,2,0,0,0,0|1,0,0]=3 446 B17R1.5389 CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)C 1458a_200003162488_200000210301 [0,2,0,0,0,0|2,0,0]=4 447 B17R1.5389 CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)[13CH3] 1458a_200003162488_200025704644 [0,2,0,0,0,0|2,0,0]=4 448 B17R1.5389 CNCC(=O)NC(Cc1ccccc1)C(=O)C 2230a_106832991635_100000008384 [0,2,0,0,0,0|1,0,0]=3 449 B17R1.5389 CNCC(=O)NC(Cc1ccccc1)C(=O)C 34a_100102657272_100000008384 [0,2,0,0,0,0|1,0,0]=3 450 B17R1.5389 CNCC(=O)NC(Cc1ccccc1)C(=O)C 7a_106832991635_100000008384 [0,2,0,0,0,0|1,0,0]=3 451 B17R1.5389 CNNC(=O)NC(Cc1ccccc1)C(=O)N 273464a_100000745710_100016993582 [0,2,0,0,0,0|1,0,0]=3 452 B17R1.5389 CNNC(=O)NC(Cc1ccccc1)C(=O)N 512a_100016993582_100000745710 [0,2,0,0,0,0|1,0,0]=3 453 B17R1.5389 COCC(=O)NC(Cc1ccccc1)C(=O)C 34a_100138415774_100000008384 [0,2,0,0,0,0|2,0,0]=4 454 B17R1.5389 COCC(=O)NC(Cc1ccccc1)C(=O)N 11a_100000745710_100000210968 [0,2,0,0,0,0|2,0,0]=4 455 B17R1.5389 COCC(=O)NC(Cc1ccccc1)C(=O)N 1626a_100000745710_100000210968 [0,2,0,0,0,0|2,0,0]=4 456 B17R1.5389 COCC(=O)NC(Cc1ccccc1)C(=O)N 240690a_100000745710_100000210968 [0,2,0,0,0,0|2,0,0]=4 457 B17R1.5389 COCC(=O)NC(Cc1ccccc1)C(=O)N 527a_100000745710_100000210968 [0,2,0,0,0,0|2,0,0]=4 458 B17R1.5389 CSCC(=O)NC(Cc1ccccc1)C(=O)C 62a_100000008384_200000210301 [0,2,0,0,0,0|2,0,0]=4 459 B17R1.5389 CSCC(=O)NC(Cc1ccccc1)C(=O)C 62a_200000210301_100000008384 [0,2,0,0,0,0|2,0,0]=4 460 B17R1.5389 CSCC(=O)NC(Cc1ccccc1)C(=O)N 11a_100000745710_100000184570 [0,2,0,0,0,0|2,0,0]=4 461 B17R1.5389 CSCC(=O)NC(Cc1ccccc1)C(=O)N 1626a_100000745710_100000184570 [0,2,0,0,0,0|2,0,0]=4 462 B17R1.5389 CSCC(=O)NC(Cc1ccccc1)C(=O)N 240690a_100000745710_100000184570 [0,2,0,0,0,0|2,0,0]=4 463 B17R1.5389 CSCC(=O)NC(Cc1ccccc1)C(=O)N 527a_100000745710_100000184570 [0,2,0,0,0,0|2,0,0]=4 464 B17R1.5389 N#CCC(=O)NC(Cc1ccccc1)C(=O)N 1626a_100000745710_100051588842 [0,2,0,0,0,0|1,0,1]=4 465 B17R1.5389 N#CCC(=O)NC(Cc1ccccc1)C(=O)N 240690a_100000745710_100051588842 [0,2,0,0,0,0|1,0,1]=4 466 B17R1.5389 NC(=O)C(Cc1ccccc1)NC(=O)C=CBr 1626a_100000745710_100016273825 [0,2,0,0,0,0|2,0,0]=4 467 B17R1.5389 NC(=O)C(Cc1ccccc1)NC(=O)C=CBr 240690a_100000745710_100016273825 [0,2,0,0,0,0|2,0,0]=4 468 B17R1.5389 NC(=O)C(Cc1ccccc1)NC(=O)C=CCl 11a_100000745710_200016279998 [0,2,0,0,0,0|2,0,0]=4 469 B17R1.5389 NC(=O)C(Cc1ccccc1)NC(=O)C=CCl 1626a_100000745710_200016279998 [0,2,0,0,0,0|2,0,0]=4 470 B17R1.5389 NC(=O)C(Cc1ccccc1)NC(=O)C=CCl 240690a_100000745710_200016279998 [0,2,0,0,0,0|2,0,0]=4 471 B17R1.5389 NC(=O)C(Cc1ccccc1)NC(=O)C=CI 1626a_100000745710_100016256311 [0,2,0,0,0,0|2,0,0]=4 472 B17R1.5389 NC(=O)C(Cc1ccccc1)NC(=O)CCO 240690a_100000745710_100011216618 [0,2,0,0,0,0|2,0,0]=4 473 B17R1.7954 C=CC(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N 240690a_100011423149_200121576911 [0,2,0,0,0,0|2,0,0]=4 474 B17R1.7954 CCC(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N 240690a_100011423149_100000210414 [0,2,0,0,0,0|2,0,0]=4 475 B17R1.7954 CNC(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N 273464a_100011423149_100102657272 [0,2,0,0,0,0|1,0,0]=3 476 B17R1.7954 CNC(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N 273464a_100102657272_100011423149 [0,2,0,0,0,0|1,0,0]=3 477 B17R1.7954 NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)CO 240690a_100011423149_100000210174 [0,2,0,0,0,0|2,0,0]=4 478 B17R1.268 CC(=O)N[C@@H](Cc1ccc(cc1)O[13CH3])C(=O)N 34a_100016999234_200025704644 [0,2,0,0,0,0|2,0,0]=4 479 B17R1.268 CC(=O)N[C@@H](Cc1ccc(cc1)O[13CH3])C(=O)N 7a_100016999234_200025704644 [0,2,0,0,0,0|2,0,0]=4 480 B17R1.268 COc1ccc(cc1)C[C@@H](NC(=O)C)C(=O)C 1458a_100017833977_200000210301 [0,2,0,0,0,0|2,0,0]=4 481 B17R1.268 COc1ccc(cc1)C[C@@H](NC(=O)C)C(=O)[13CH3] 1458a_100017833977_200025704644 [0,2,0,0,0,0|2,0,0]=4 482 B17R1.268 COc1ccc(cc1)C[C@H](NC(=O)C)C(=O)N 34a_100016999234_200000210301 [0,2,0,0,0,0|2,0,0]=4 483 B17R1.268 COc1ccc(cc1)C[C@H](NC(=O)C)C(=O)N 7a_100016999234_200000210301 [0,2,0,0,0,0|2,0,0]=4 484 B17R1.76675 CC(=O)N[C@H](Cc1c(cccc1F)F)C(=O)C 1458a_200016998237_200000210301 [0,2,0,0,0,0|2,0,0]=4 485 B17R1.76675 CC(=O)N[C@H](Cc1c(cccc1F)F)C(=O)[13CH3] 1458a_200016998237_200025704644 [0,2,0,0,0,0|2,0,0]=4 486 B15R2.1668 CC(=O)NC1COc2ccccc2C1 11a_100000739546_100015343762 [1,0,0,1,0,0|1,0,1]=4 487 B15R2.1668 CC(=O)NC1COc2ccccc2C1 1626a_100000739546_100015343762 [1,0,0,1,0,0|1,0,1]=4 488 B15R2.1668 CC(=O)NC1COc2ccccc2C1 240690a_100000739546_100015343762 [1,0,0,1,0,0|1,0,1]=4 489 B15R2.1668 CC(=O)NC1COc2ccccc2C1 527a_100000739546_100103153847 [1,0,0,1,0,0|1,0,1]=4 490 B15R2.355 O=C1COC(=O)C1Nc2ccccc2 34a_100000106764_100000032967 [0,0,0,1,1,0|2,0,0]=4 491 B15R2.355 O=C1COC(=O)C1Oc2ccccc2 34a_100000210340_100000032967 [0,0,0,1,1,0|2,0,0]=4 492 B15R2.355 O=C1COC(=O)C1Sc2ccccc2 62a_100000719477_100000032967 [0,0,0,1,1,0|2,0,0]=4 493 B15R2.993 CC(=O)NC1C(=O)Nc2c1cccc2 240690a_200000746459_100015343762 [0,0,0,1,1,0|2,0,0]=4 494 B17R2.3221 CC(=O)C1=CC(NC(=O)N1)c2ccccc2 1458a_100000010034_200000210301 [0,0,0,1,0,1|1,0,1]=4 495 B17R2.3221 [13CH3]C(=O)C1=CC(NC(=O)N1)c2ccccc2 1458a_100000010034_200025704644 [0,0,0,1,0,1|1,0,1]=4 496 B17R2.5013 CC(=O)NC1CCc2ccccc2NC1=O 11a_100020590095_100015343762 [0,0,0,1,0,1|2,0,0]=4 497 B17R2.5013 CC(=O)NC1CCc2ccccc2NC1=O 1626a_100020590095_100015343762 [0,0,0,1,0,1|2,0,0]=4 498 B17R2.5013 CC(=O)NC1CCc2ccccc2NC1=O 240690a_100020590095_100015343762 [0,0,0,1,0,1|2,0,0]=4 499 B17R2.5013 CC(=O)NC1CCc2ccccc2NC1=O 527a_100020590095_100103153847 [0,0,0,1,0,1|2,0,0]=4 500 B17R2.45126 CC(=O)C1Cc2ccccc2CN1C(=O)C 1458a_100000183979_200000210301 [0,1,0,1,0,0|2,0,0]=4 501 B17R2.45126 CC(=O)N1Cc2ccccc2CC1C(=O)N 11a_100000195596_100015343762 [0,1,0,1,0,0|2,0,0]=4 502 B17R2.45126 CC(=O)N1Cc2ccccc2CC1C(=O)N 1626a_100000195596_100015343762 [0,1,0,1,0,0|2,0,0]=4 503 B17R2.45126 CC(=O)N1Cc2ccccc2CC1C(=O)N 240690a_100000195596_100015343762 [0,1,0,1,0,0|2,0,0]=4 504 B17R2.45126 CC(=O)N1Cc2ccccc2CC1C(=O)N 527a_100000195596_100103153847 [0,1,0,1,0,0|2,0,0]=4 505 B17R2.45126 CC(=O)N1Cc2ccccc2CC1C(=O)[13CH3] 1458a_100000183979_200025704644 [0,1,0,1,0,0|2,0,0]=4 506 B13R1.713 CC(=O)N[C@H](CO)c1ccccc1 240690a_100000751927_100015343762 [1,0,0,0,1,0|1,0,1]=4 507 B13R1.713 CC(=O)N[C@H](CO)c1ccccc1 527a_100000751927_100103153847 [1,0,0,0,1,0|1,0,1]=4 508 B13R1.405 CCNC(C(=O)O)c1ccccc1 269956a_100000230147_100000210202 [1,0,0,0,1,0|1,0,1]=4 509 B13R1.405 O=C(O)C(NCF)c1ccccc1 269956a_100000230147_100015361967 [1,0,0,0,1,0|1,0,1]=4 510 B13R1.1111 CC(=O)C(C(=O)C)c1ccccc1 1458a_100000070787_100009888967 [0,0,0,0,2,0|2,0,0]=4 511 B13R1.1111 CC(=O)C(C(=O)N)c1ccccc1 1458a_100000070787_100000188848 [0,0,0,0,2,0|1,0,0]=3 512 B15R1.4008 CC(=O)NCC(CO)Cc1ccccc1 240690a_100160572655_100015343762 [1,0,0,0,0,1|1,0,1]=4 513 B15R1.4008 CC(=O)NCC(CO)Cc1ccccc1 527a_100160572655_100103153847 [1,0,0,0,0,1|1,0,1]=4 514 B15R1.4008 N#CC(Cc1ccccc1)NCC(=O)N 2230a_100000746547_100000747473 [1,0,0,0,0,1|1,0,1]=4 515 B15R1.4008 NC(=O)CNC(CO)Cc1ccccc1 2230a_100000739027_100000747473 [1,0,0,0,0,1|0,0,1]=3 516 B15R1.4008 NC(=O)CNC(CO)Cc1cccnc1 2230a_100000717814_100000747473 [1,0,0,0,0,1|1,0,1]=4 517 B15R1.4008 NC(=O)CNC(CO)Cc1ccncc1 2230a_100000717866_100000747473 [1,0,0,0,0,1|1,0,1]=4 518 B15R1.3984 CCNC(CCc1ccccc1)C(=O)O 269956a_100000701298_100000210202 [1,0,0,0,0,1|1,0,1]=4 519 B15R1.3984 O=C(O)C(CCc1ccccc1)NCF 269956a_100000701298_100015361967 [1,0,0,0,0,1|1,0,1]=4 520 B15R1.3569 CC(=O)C(SCc1ccccc1)C(=O)C 62a_100000210371_100015291786 [0,0,0,0,1,1|2,0,0]=4 521 B15R1.3569 CC(=O)C(SCc1ccccc1)C(=O)C 62a_100000211182_100000210371 [0,0,0,0,1,1|2,0,0]=4 522 B15R1.3569 C[C@@H](O)[C@H](NCc1ccccc1)C(=O)N 2230a_100000003557_100015291786 [0,0,0,0,1,1|1,0,1]=4 523 B15R1.3569 C[C@@H](O)[C@H](NCc1ccccc1)C(=O)N 270004a_100000003557_100015611070 [0,0,0,0,1,1|1,0,1]=4 524 B15R1.3569 NC(=O)C(NCc1ccccc1)C(=O)N 2230a_100000025885_100015291786 [0,0,0,0,1,1|1,0,0]=3 525 B15R1.3569 NC(=O)C(NCc1ccccc1)C(=O)N 270004a_100000025885_100015611070 [0,0,0,0,1,1|1,0,0]=3 526 B15R1.3569 NC(=O)C(NCc1ccccn1)C(=O)N 2230a_100000025885_100000721315 [0,0,0,0,1,1|2,0,0]=4 527 B15R1.3569 NC(=O)C(NCc1ccccn1)C(=O)N 270004a_100000025885_100000209966 [0,0,0,0,1,1|2,0,0]=4 528 B15R1.3569 NC(=O)C(NCc1cccnc1)C(=O)N 2230a_100000025885_100000741622 [0,0,0,0,1,1|2,0,0]=4 529 B15R1.3569 NC(=O)C(NCc1cccnc1)C(=O)N 270004a_100000025885_100000209961 [0,0,0,0,1,1|2,0,0]=4 530 B15R1.3569 NC(=O)C(NCc1ccncc1)C(=O)N 2230a_100000025885_100015193705 [0,0,0,0,1,1|2,0,0]=4 531 B15R1.9083 CC(=O)CC(NC(=O)C)c1ccccc1 1458a_100000182824_200000210301 [0,0,0,0,1,1|2,0,0]=4 532 B15R1.9083 CC(=O)CC(NC(=O)N)c1ccccc1 1458a_100000238291_200000210301 [0,0,0,0,1,1|1,0,0]=3 533 B15R1.9083 CC(=O)NC(CC(=O)[13CH3])c1ccccc1 1458a_100000182824_200025704644 [0,0,0,0,1,1|2,0,0]=4 534 B15R1.9083 NC(=O)CN(CC(=O)O)c1ccccc1 269956a_100000212060_100000187820 [0,0,0,0,1,1|2,0,0]=4 535 B15R1.9083 [13CH3]C(=O)CC(NC(=O)N)c1ccccc1 1458a_100000238291_200025704644 [0,0,0,0,1,1|1,0,0]=3 536 B15R1.12293 C=C(C)CNC(C(=O)O)c1ccccc1 269956a_100000230147_100000748629 [0,0,0,0,1,1|2,0,0]=4 537 B15R1.12293 C=C(F)CNC(C(=O)O)c1ccccc1 269956a_100000230147_100000042424 [0,0,0,0,1,1|2,0,0]=4 538 B15R1.12293 CC(=O)C(NCC(=O)N)c1ccccc1 2230a_100000711301_100009888967 [0,0,0,0,1,1|1,0,0]=3 539 B15R1.12293 CC(=O)C(NCC(=O)O)c1ccccc1 269956a_100016091260_100009888967 [0,0,0,0,1,1|2,0,0]=4 540 B15R1.12293 CC(=O)C(SCC(=O)N)c1ccccc1 62a_100000747473_100009888967 [0,0,0,0,1,1|2,0,0]=4 541 B15R1.12293 CC(=O)C(SCC(=O)N)c1ccccc1 62a_100009888967_100000747473 [0,0,0,0,1,1|2,0,0]=4 542 B15R1.12293 C[C@H](O)[C@@H](NCC(=O)N)c1ccccc1 2230a_100134616770_100000747473 [0,0,0,0,1,1|1,0,1]=4 543 B15R1.12293 NC(=O)C(NCC(=O)O)c1ccccc1 269956a_100016091260_100000188848 [0,0,0,0,1,1|2,0,0]=4 544 B15R1.12293 NC(=O)CNC(C(=O)N)c1ccccc1 2230a_100000711301_100000188848 [0,0,0,0,1,1|1,0,0]=3 545 B15R1.12293 NC(=O)CNC(C(=O)O)c1ccccc1 269956a_100000230147_100000187820 [0,0,0,0,1,1|0,0,0]=2 546 B15R1.12293 NC(=O)CNC(C(=O)O)c1ccccn1 269956a_200016167988_100000187820 [0,0,0,0,1,1|1,0,0]=3 547 B15R1.12293 NC(=O)CN[C@@H](C(=O)N)c1ccccc1 2230a_100011423151_100000747473 [0,0,0,0,1,1|1,0,0]=3 548 B15R1.12293 NC(=O)CN[C@@H](C(=O)O)C1=CCC=CC1 269956a_100016989015_100000187820 [0,0,0,0,1,1|0,0,2]=4 549 B15R1.12293 NC(=O)COC(C(=O)N)c1ccccc1 34a_100011200849_100000187820 [0,0,0,0,1,1|2,0,0]=4 550 B15R1.12293 NC(=O)COC(C(=O)N)c1ccccc1 7a_100011200849_100000187820 [0,0,0,0,1,1|2,0,0]=4 551 B15R1.12293 NC(=O)CSC(C(=O)N)c1ccccc1 62a_100000188848_100000747473 [0,0,0,0,1,1|2,0,0]=4 552 B15R1.12293 NC(=O)CSC(C(=O)N)c1ccccc1 62a_100000747473_100000188848 [0,0,0,0,1,1|2,0,0]=4 553 B15R1.12293 O=C(O)C(NC[N+](=O)[O-])c1ccccc1 269956a_100000230147_100000761209 [0,0,0,0,1,1|2,0,0]=4 554 B15R1.12293 O=C([O-])CNC(C(=O)O)c1ccccc1 269956a_100000230147_100020667443 [0,0,0,0,1,1|1,0,0]=3 555 B15R1.12293 O=C([O-])CNC(C(=O)O)c1ccccn1 269956a_200016167988_100020667443 [0,0,0,0,1,1|2,0,0]=4 556 B17R1.16250 C=C(C)CN[C@H](CC(=O)O)Cc1ccccc1 269956a_100000009519_100000748629 [0,0,0,0,0,2|2,0,0]=4 557 B17R1.16250 C=C(F)CN[C@H](CC(=O)O)Cc1ccccc1 269956a_100000009519_100000042424 [0,0,0,0,0,2|2,0,0]=4 558 B17R1.16250 NC(=O)CCN(CC(=O)O)Cc1ccccc1 269956a_100000745947_100000744528 [0,0,0,0,0,2|2,0,0]=4 559 B17R1.16250 NC(=O)CN[C@H](CC(=O)O)Cc1ccccc1 269956a_100000009519_100000187820 [0,0,0,0,0,2|0,0,0]=2 560 B17R1.16250 O=C(O)C[C@H](Cc1ccccc1)NC[N+](=O)[O-] 269956a_100000009519_100000761209 [0,0,0,0,0,2|2,0,0]=4 561 B17R1.16250 O=C([O-])CN[C@H](CC(=O)O)Cc1ccccc1 269956a_100000009519_100020667443 [0,0,0,0,0,2|1,0,0]=3 562 B17R1.26150 C=C(C)CNC(CCc1ccccc1)C(=O)O 269956a_100000701298_100000748629 [0,0,0,0,0,2|2,0,0]=4 563 B17R1.26150 C=C(F)CNC(CCc1ccccc1)C(=O)O 269956a_100000701298_100000042424 [0,0,0,0,0,2|2,0,0]=4 564 B17R1.26150 NC(=O)CC[C@H](NCc1ccccc1)C(=O)N 2230a_200000143477_100015291786 [0,0,0,0,0,2|2,0,0]=4 565 B17R1.26150 NC(=O)CC[C@H](NCc1ccccc1)C(=O)N 34a_200000143477_100015291786 [0,0,0,0,0,2|2,0,0]=4 566 B17R1.26150 NC(=O)CNC(CCc1ccccc1)C(=O)O 269956a_100000701298_100000187820 [0,0,0,0,0,2|0,0,0]=2 567 B17R1.26150 O=C(O)C(CCc1ccccc1)NC[N+](=O)[O-] 269956a_100000701298_100000761209 [0,0,0,0,0,2|2,0,0]=4 568 B17R1.26150 O=C([O-])CNC(CCc1ccccc1)C(=O)O 269956a_100000701298_100020667443 [0,0,0,0,0,2|1,0,0]=3 569 B17R1.149904 CC(=O)N[C@@H](COCc1ccccc1)C(=O)C 1458a_200010195856_200000210301 [0,0,0,0,0,2|2,0,0]=4 570 B17R1.149904 CC(=O)N[C@@H](COCc1ccccc1)C(=O)[13CH3] 1458a_200010195856_200025704644 [0,0,0,0,0,2|2,0,0]=4 571 B17R1.149904 CC(=O)N[C@@H](CSCc1ccccc1)C(=O)C 1458a_100006003393_200000210301 [0,0,0,0,0,2|2,0,0]=4 572 B17R1.149904 CC(=O)N[C@@H](CSCc1ccccc1)C(=O)[13CH3] 1458a_100006003393_200025704644 [0,0,0,0,0,2|2,0,0]=4 573 B17R1.149904 NC(=O)C[C@H](NCCc1ccccc1)C(=O)N 2230a_100000143228_100000765856 [0,0,0,0,0,2|2,0,0]=4 574 B17R1.149904 NC(=O)C[C@H](NCSc1ccccc1)C(=O)N 2230a_100000143228_100011218342 [0,0,0,0,0,2|2,0,0]=4 575 B17R1.16300 CC(=O)OCNC(Cc1ccccc1)C(=O)N 34a_100000745710_100009813279 [0,0,0,0,0,2|2,0,0]=4 576 B17R1.16300 NC(=O)CCNC(Cc1ccccc1)C(=O)N 2230a_100000745710_100000744528 [0,0,0,0,0,2|1,0,0]=3 577 B17R1.16300 NC(=O)CCNC(Cc1ccccc1)C(=O)N 34a_100000745710_100000731001 [0,0,0,0,0,2|1,0,0]=3